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

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

}, keywords = {bridging ligands, Density functional calculations, EPR spectroscopy, N, O ligands, ruthenium}, issn = {0947-6539}, doi = {10.1002/chem.2005.00202}, author = {Kar, S. and Sarkar, B. and Ghumaan, Sandeep and Janardanan, D. and van Slageren, J. and Fiedler, Jan and Puranik, Vedavati G. and Sunoj, R. B. and Kaim, Wolfgang and Lahiri, Goutam Kumar} } @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:000230220900008, title = {Bacterial aerobic synthesis of nanocrystalline magnetite}, journal = {Journal of the American Chemical Society}, volume = {127}, number = {26}, year = {2005}, month = {JUL}, pages = {9326-9327}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, issn = {0002-7863}, doi = {10.1021/ja0508469}, author = {Bharde, Atul A. and Wani, A. and Shouche, Y. and Joy, Pattayil Alias and Bhagavatula L. V. Prasad and Sastry, M.} } @article { ISI:000230389700019, title = {Bis(2-[alpha-hydroxyethyl]benzimidazolato)copper(II) anchored onto chloromethylated polystyrene for the biomimetic oxidative coupling of 2-aminophenol to 2-aminophenoxazine-3-one}, journal = {Journal of Molecular Catalysis A - Chemical}, volume = {236}, number = {1-2}, year = {2005}, month = {JUL}, pages = {132-138}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

2-(alpha-Hydroxyethyl)benzimidazole (Hhebmz) has been covalently anchored to chloromethylated polystyrene cross-linked with 5\% divinylbenzene. This polymer-anchored chelating resin reacts with cupric acetate in presence of Hhebmz to give polymer-anchored copper(II) complex PS-[Cu(hebmz)(2)]. Elemental analyses, FT-IR, electronic, scanning electron micrographs (SEM) and TGA-DTA pattern have been used to characterize the complex. Oxidative coupling of 2-aminophenol (OAP) to 2-aminophenoxazine-3-one (APX) catalyzed by PS-[Cu(hebmz)(2)] in presence of air at 70 degrees C in DMF gave 62\% substrate conversion over a period of 8 h. Kinetics of the above reaction indicated that the rate of oxidative coupling of OAP has a first order dependence with respect to substrate, catalyst and air pressure (dissolved O-2) concentrations in the range of conditions evaluated. Based on these observations, a plausible mechanism for the above reaction has been proposed. From, the study on the effect of temperature on the rates of oxidative coupling, an activation energy 34.2 kcal/degree mole was evaluated from Arrhenius plot of -ln rate versus 1/T. Enthalpy, entropy and free energy were calculated using standard thermodynamic equations for the above reaction. (c) 2005 Elsevier B.V. All rights reserved.

}, keywords = {2-aminophenol, 2-aminophenoxazine-3-one, bis(2-[alpha-hydroxyethyl]benzimidazolato)copper(II), chloromethylated polystyrene, oxidative coupling}, issn = {1381-1169}, doi = {10.1016/j.molcata.2005.02.034}, author = {Maurya, Mannar R. and Sikarwar, S. and Joseph, Trissa and Halligudi, Shivappa B.} } @article { ISI:000229488700014, title = {Bronsted acidic ionic liquids: a green, efficient and reusable catalyst system and reaction medium for fischer esterification}, journal = {Journal of Molecular Catalysis A - Chemical}, volume = {234}, number = {1-2}, year = {2005}, month = {JUN}, pages = {107-110}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Bronsted acidic ionic liquid containing nitrogen-based organic cations 1-methylimidazole and 1-butyl-3-methylimidazolium and inorganic anions of the type BF4-, PF6- and PTSA(-) has been synthesized in good yields and used as a catalysts and reaction medium for Fischer esterification of alcohols with acids. These were characterized using FTIR and NMR spectroscopy. Ionic liquids as catalyst afforded good alcohol conversion and excellent ester selectivity. Fischer esterification of acetic acid with benzyl alcohol with different Bronsted acidic ionic liquids was carried out. Maximum substrate conversion 100 \% and product selectivity 100 \% was observed on using [BMIM](+)PTSAas catalyst over a period of 2 h. The ester was easily separated from the reaction mixture and the ionic liquid was reused four times after removing water. No significant loss in catalytic activity was observed on recycling. (c) 2005 Elsevier B.V. All rights reserved.

}, keywords = {acids, alcohol and reaction medium, Fischer esterification, Ionic liquid}, issn = {1381-1169}, doi = {10.1016/j.molcata.2005.03.005}, author = {Joseph, Trissa and Sahoo, S. and Halligudi, Shivappa B.} } @article { ISI:000228226800025, title = {Carbon-free dry reforming of methane to syngas over NdCoO3 perovskite-type mixed metal oxide catalyst}, journal = {Catalysis Letters}, volume = {100}, number = {3-4}, year = {2005}, month = {APR}, pages = {271-276}, publisher = {SPRINGER}, type = {Article}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

CoNdOx (Co/Nd = 1) is a highly promising catalyst for the carbon-free CO2 reforming of methane. Influence of the Co/Nd ratio on the catalyst performance in the CO2 reforming and also on the crystalline phases and reduction by temperature programmed reduction (TPR) of the CoNdOx catalyst has also been investigated. The CoNdOx (CoNd = 1.0) catalyst consisted of mainly NdCoO3 perovskite- type mixed metal oxide and it showed not only a high resistance to carbon formation at different process conditions ( viz. temperature = 750 - 900 degrees C and gas hourly space velocity (GHSV) = 10000 - 50000 cm(3) g(-1) h(-1)) but also high activity and selectivity in the CO2 reforming process. The high resistance to carbon formation for this catalyst is attributed mostly to strong metal (Co degrees) - support (Nd2O3) interactions.

}, keywords = {CO2 reforming of methane to syngas, CoNdOx catalyst, NdCoO3 perovskite, resistance to carbon formation in CO2 reforming}, issn = {1011-372X}, doi = {10.1007/s10562-004-3467-0}, author = {Choudhary, Vasant R. and Mondal, Kartick C. and Mamman, Ajit Singh and Joshi, Upendra A.} } @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:000233129500063, title = {Cobalt and magnesium ferrite nanoparticles: preparation using liquid foams as templates and their magnetic characteristics}, journal = {Langmuir}, volume = {21}, number = {23}, year = {2005}, month = {NOV}, pages = {10638-10643}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

}, issn = {0743-7463}, doi = {10.1021/la051595k}, author = {Bala, Tanushree and Sankar, C. R. and Baidakova, Marina and Osipov, V. and Enoki, Toshiaki and Joy, Pattayil Alias and Bhagavatula L. V. Prasad and Sastry, M.} } @article { ISI:000234092500005, title = {Convenient synthesis of the enantiomerically pure beta-blocker (S)-betaxolol using hydrolytic kinetic resolution}, journal = {Tetrahedron-Asymmetry}, volume = {16}, number = {23}, year = {2005}, month = {NOV}, pages = {3802-3806}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2005.10.028}, author = {Joshi, Ramesh A. and Garud, Dinesh R. and Muthukrishnan, Murugan and Joshi, Rohini R. and Gurjar, M. K.} } @article { ISI:000232773100050, title = {Conversion of fly ash - an environmentally detrimental waste to zeolite beta (BEA) for commercial catalytic applications}, journal = {Journal of the American Ceramic Society}, volume = {88}, number = {11}, year = {2005}, month = {NOV}, pages = {3260-3263}, publisher = {BLACKWELL PUBLISHING}, type = {Article}, address = {9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND}, abstract = {

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

}, issn = {0002-7820}, doi = {10.1111/j.1551-2916.2005.00575.x}, author = {Kasture, M. W. and Bokade, Vijay V. and Joshi, P. N.} } @article { ISI:000230389700020, title = {Copper(II) ion-exchanged montmorillonite as catalyst for the direct addition of N-H bond to CC triple bond}, journal = {Journal of Molecular Catalysis A - Chemical}, volume = {236}, number = {1-2}, year = {2005}, month = {JUL}, pages = {139-144}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

An efficient synthesis of phenyl-(1-phenylethylidene)amine using copper-exchanged montmorillonite clay (Cu K-10) is demonstrated. The catalyst was characterized using UV-vis, XRD, BET surface area measurements, pyridine adsorption etc. The XRD and surface area measurement show that the structural characteristics of the support montmorillonite K-10 (K-10) are preserved after Cu exchange. The hydroamination of phenyl acetylene with aniline was carried out in toluene under reflux condition in N-2 atmosphere at 393 K. The reaction is highly regio-selective for only Markovnikoff{\textquoteright}s addition of an-tine to CC multiple bond and proceeded smoothly to completion. The reaction conditions were optimized to obtain complete conversion with respect to phenyl acetylene. Reaction data showed that the activity of the catalyst in hydroamination reaction is greater at higher reaction temperatures and nonpolar solvents and NZ pressure promotes the reaction drastically. (c) 2005 Elsevier B.V. All rights reserved.

}, keywords = {alkyne, Aniline, Catalyst, hydroamination, K-10 montmorillonite clay, phenyl acetylene}, issn = {1381-1169}, doi = {10.1016/j.molcata.2005.04.022}, author = {Joseph, Trissa and Shanbhag, G. V. and Halligudi, Shivappa B.} } @article { ISI:000227998900001, title = {Cure characteristics and dielectric properties of magnetic composites containing strontium ferrite}, journal = {Journal of Elastomers and Plastics}, volume = {37}, number = {2}, year = {2005}, month = {APR}, pages = {109-121}, publisher = {SAGE PUBLICATIONS LTD}, type = {Article}, address = {1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND}, abstract = {

Hexagonal strontium ferrite (SrFe12O19) powders were synthesized by the conventional ceramic techniques. They were then characterized by the X-ray diffraction method and incorporated in the natural rubber matrix according to a specific recipe for various loadings of ferrite to produce rubber ferrite composites (RFCs). The processability of these compounds was determined by evaluating the cure characteristics namely, scorch time, cure time, minimum and maximum torque. The evaluation of the dielectric properties of ceramic strontium ferrite (SrF), natural rubber gum vulcanizate, and RFCs were done with the help of a Hewlett Packard (HP) impedance analyzer. The magnetic properties of these composites were studied using a Vibrating Sample Magnetometer (VSM). The effect of carbon black on the processability, and the magnetic and dielectric properties were also studied by the incorporation of carbon black into these composites. It has been found that the addition of these ferrites and carbon black does not affect the processability of these composites, whereas the physical properties are found to be modified. From the magnetic and dielectric measurements it has been found that flexible magnets having appropriate dielectric strength can be prepared by the incorporation of appropriate amount of SrF and carbon black in the natural rubber matrix.

}, keywords = {hexagonal ferrites, Magnetic materials, permanent magnets, rubber ferrite composites (RFCs), strontium ferrite}, issn = {0095-2443}, doi = {10.1177/0095244305046488}, author = {Soloman, M. A. and Kurian, P. and Anantharaman, Maliemadom R. and Joy, Pattayil Alias} } @article { ISI:000231564300102, title = {Effect of disorder on the magnetic properties of LaMn0.5Fe0.5O3}, journal = {Physical Review B}, volume = {72}, number = {5}, year = {2005}, month = {AUG}, pages = {054426}, publisher = {AMERICAN PHYSICAL SOC}, type = {Article}, address = {ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA}, abstract = {

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

}, issn = {1098-0121}, doi = {10.1103/PhysRevB.72.054426}, author = {Bhame, Shekhar D. and Joly, V. L. Joseph and Joy, Pattayil Alias} } @article { ISI:000229664600004, title = {Electronic structure and ferromagnetism of polycrystalline Zn1-xCoxO (0 <= x <= 0.15)}, journal = {Solid State Communications}, volume = {134}, number = {10}, year = {2005}, month = {JUN}, pages = {665-669}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The electronic structure of polycrystalline ferromagnetic Zn1-x,CoxO (0.05 \<= x \<= 0.15) and the oxidation state of Co in it, have been investigated. The Co-doped polycrystalline samples are synthesized by a combustion method and are ferromagnetic at room temperature. XPS and optical absorption studies show evidence for Co2+ ions in the tetrahedral symmetry, indicating, substitution of Co2+ in the ZnO lattice. However, powder XRD and electron diffraction data shock the presence of Co metal in the samples. This give evidence to the fact that some Co2+ ion are incorporated in the ZnO lattice which gives changes in the electronic structure whereas ferromagnetism comes from the Co metal impurities present in the samples. (c) 2005 Elsevier Ltd. All rights reserved.

}, keywords = {Magnetically ordered materials, Optical properties, Semiconductors}, issn = {0038-1098}, doi = {10.1016/j.ssc.2005.03.013}, author = {Deka, Sasanka and Joy, Pattayil Alias} } @article { ISI:000229476800007, title = {Facile oxidation of flavanones to flavones using [hydroxy(tosyloxy)iodo]benzene in an ionic liquid}, journal = {Mendeleev Communications}, volume = {15}, number = {3}, year = {2005}, month = {MAY}, pages = {100-101}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A method for the oxidation of flavationes to flavones has been developed using [hydroxy(tosyloxy)iodo] benzene (HTIB) in the room-temperature ionic liquid 1,3-di-n-butylimidazolium bromide ([bbim]Br-+(-)).

}, issn = {0959-9436}, doi = {10.1070/MC2005v015n03ABEH001997}, author = {Muthukrishnan, Murugan and Patil, P. S. and More, Shivaji V. and Joshi, Ramesh A.} } @article { ISI:000232815700010, title = {Formation of nanosized zirconia-supported 12-tungstophosphoric acid in mesoporous silica SBA-15: a stable and versatile solid acid catalyst for benzylation of phenol}, journal = {Journal of Catalysis}, volume = {235}, number = {2}, year = {2005}, month = {OCT}, pages = {341-352}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

A nanosized zirconia-supported 12-tungstophosphoric acid (TPA) in SBA-15 composite was prepared by wet impregnation of TPA/ZrO2 nanoparticles inside the mesoporous channels of SBA-15. The resulting composite material was calcined at 1123 K and characterized by elemental analysis, powder X-ray diffraction, nitrogen adsorption isotherms, transmission electron microscopy (TEM), scanning electron microscopy (SEM), solid-state P-31 CP-MAS NMR, Si-29 MAS NMR, UV-vis diffuse reflectance spectra, FTIR, TPD of ammonia, FTIR pyridine adsorption, and thermogravimetric analysis (TG-DTG). The synthesized TPA/ZrO2/SBA-15 showed a well-ordered hexagonal inesoporous structure and mesoporous support SBA-15 stabilized ZrO2-t (tetragonal) phase with crystal size in the range of 3-4 nm. SBA-15 was a better support than MCM-41 and MCM-48 because it retained its mesostructure even after high TPA loading and high calcination temperatures. Mesoporous silica support plays an important role in stabilizing the catalytically active tetragonal phase of zirconia, which gave the most active catalysts. The catalysts were examined for their catalytic activities in the liquid phase benzylation of phenol with benzyl alcohol and the catalyst 15 wt\% TPA/ 22.4 wt\% ZrO2/SBA-15 calcined at 1123 K was found to have high acidity and to be 10 times more active than neat TPA/ZrO2 Under the reaction conditions studied in benzylation of phenol. (c) 2005 Elsevier Inc. All rights reserved.

}, keywords = {nanosized, phenol benzylation reaction, terragonal phase, TPA/ZrO2}, issn = {0021-9517}, doi = {10.1016/j.jcat.2005.08.010}, author = {Sawant, D. P. and Vinu, A. and Jacob, Nalini E. and Lefebvre, F. and Halligudi, Shivappa B.} } @article { ISI:000232775100003, title = {Green process for chlorine-free benzaldehyde from the solvent-free oxidation of benzyl alcohol with molecular oxygen over a supported nano-size gold catalyst}, journal = {Green Chemistry}, volume = {7}, number = {11}, year = {2005}, month = {OCT}, pages = {768-770}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Benzyl alcohol is oxidized selectively to benzaldehyde with high yield, with a little formation of benzylbenzoate, by molecular oxygen over a reusable nano-size gold catalyst supported on U3O8, MgO, Al2O3 or ZrO2 in the absence of any solvent.

}, issn = {1463-9262}, doi = {10.1039/b509003b}, author = {Choudhary, Vasant R. and Dhar, A. and Jana, Prabhas and Jha, Rani and Uphade, B. S.} } @conference { ISI:000227460600024, title = {High magnetic aspects of nanosized NiZn ferrite powders synthesized by an autocombustion method}, booktitle = {9th International Conference on Ferrites (ICF-9)}, year = {2005}, note = {9th International Conference on Ferrites (ICF-9), San Francisco, CA, AUG 22-27, 2004}, month = {AUG}, pages = {149-154}, publisher = {Amer Ceramic Soc, 735 Ceramic Place, Westerville, OH 43081-8720 USA}, organization = {Amer Ceramic Soc, 735 Ceramic Place, Westerville, OH 43081-8720 USA}, address = {San Francisco, CA}, abstract = {

Nanocrystalline NiZn ferrite, Ni0.5Zn0.5Fe2O4, having particle size in the range 6-10 mn, has been synthesized by an auto-combustion method. The nanosized ferrite powder formed at a low temperature is annealed at different temperatures in the range 473-1273 K and characterized by X-ray diffraction, vibrating sample magnetometry, Mossbauer spectroscopy, transmission electron microscopy and scanning electron microscopy. Magnetic transition temperature broadening up to 773 K is observed for the nanosized sample, compared to the T-c = 563 K for the bulk material. Critical particle diameter (D-c) is found to be similar to 40 nm at which maximum coercivity is obtained for the powder sample annealed at 973 K. Similarly, high room temperature magnetization, comparable to that of the bulk material, is obtained for the powders annealed at 1073 K, with a maximum particle size of similar to 50 nm. Very little grain growth is observed for the powders annealed above 1073 K. The results show that, optimum magnetic properties can be achieved for fine particle NiZn ferrite powders synthesized by a low-temperature auto-combustion method and processed at relatively lower temperatures.

}, isbn = {1-57498-218-4}, author = {Deka, Sasanka and Date, Sadgopal K. and Joy, Pattayil Alias}, editor = {Soohoo, R. F.} } @article { ISI:000233975200003, title = {Highly active and reusable catalyst from Fe-Mg-hydrotalcite anionic clay for friedel-crafts type benzylation reactions}, journal = {Journal of Chemical Sciences}, volume = {117}, number = {6}, year = {2005}, month = {NOV}, pages = {635-639}, publisher = {INDIAN ACADEMY SCIENCES}, type = {Article}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

Fe-Mg-hydrotalcite (Mg/Fe = 3) anionic clay with or without calcination (at 200-800 degrees C) has been used for the benzylation of toluene and other aromatic compounds by benzyl chloride. Hydrotalcite before and after its calcination was characterized for surface area, crystalline phases and basicity. Both the hydrotalcite, particularly after its use in the benzylation reaction, and the catalyst derived from it by its calcination at 200-800 degrees C show high catalytic activity for the benzylation of toluene and other aromatic compounds. The catalytically active species present in the catalyst in its most active form are the chlorides and oxides of iron on the catalyst surface.

}, keywords = {activation by calcinations, benzylation of aromatic compounds, benzylation of toluene, Fe-Mg-hydrotalcite}, issn = {0253-4134}, doi = {10.1007/BF02708292}, author = {Choudhary, Vasant R. and Jha, Rani and Choudhari, P. A.} } @article { ISI:000232596300002, title = {Identification of coding and non-coding sequences using local holder exponent formalism}, journal = {Bioinformatics}, volume = {21}, number = {20}, year = {2005}, month = {OCT}, pages = {3818-3823}, publisher = {OXFORD UNIV PRESS}, type = {Article}, address = {GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND}, abstract = {

Motivation: Accurate prediction of genes in genomes has always been a challenging task for bioinformaticians and computational biologists. The discovery of existence of distinct scaling relations in coding and non-coding sequences has led to new perspectives in the understanding of the DNA sequences. This has motivated us to exploit the differences in the local singularity distributions for characterization and classification of coding and non-coding sequences. Results: The local singularity density distribution in the coding and non-coding sequences of four genomes was first estimated using the wavelet transform modulus maxima methodology. Support vector machines classifier was then trained with the extracted features. The trained classifier is able to provide an average test accuracy of 97.7\%. The local singularity features in a DNA sequence can be exploited for successful identification of coding and non-coding sequences.

}, issn = {1367-4803}, doi = {10.1093/bioinformatics/bti639}, author = {Kulkarni, O. C. and Vigneshwar, R. and Jayaraman, Valadi K. and Kulkarni, B. D.} } @article { ISI:000231018800006, title = {Immobilization of metallporphyrins on polystyrene: efficient catalysts for aerobic oxidation of alcohols}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {238}, number = {1-2}, year = {2005}, month = {SEP}, pages = {46-50}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Metalloporphyrins of iron and cobalt have been successfully encapsulated for the first time using polystyrene matrix, exhibiting high activity for aerobic oxidation of alcohols mimicking cytochrome P-450 dependent mono oxygenases. This communication provides a simple and environmentally friendly protocol for immobilization of metalloporphyrins (MPs) on to polystyrenes in general, which gives stable,I reusable (see Footnote 1) and efficient catalysts for aerobic oxidation of alcohols. These catalysts were characterized by UV-vis as well as diffuse reflectance FT-IR spectroscopy. These catalysts not only have high turnover frequencies but also could be recovered quantitatively by simple filtration and reused without loss of activity. Considering their high dispersing capacity in organic solvents, they will definitely find broad spectrum of applications in the electronic as well as optical fields. This methodology will lead to a potential model to mimic the catalytic action of metalloporphyrins in the niche areas such as catalytic oxidations, drug metabolism, DNA cleavage, photodynamic therapy and many others. (c) 2005 Elsevier B.V. All rights reserved.

}, keywords = {aerobic oxidation, Immobilization, metalloporphyrins, micro-encapsulation, Polystyrene, turnover frequency}, issn = {1381-1169}, doi = {10.1016/j.molcata.2005.04.041}, author = {Naik, R. and Joshi, P. and Deshpande, R. K.} } @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:000226212200001, title = {Influence of process pressure on HW-CVD deposited a-Si : H films}, journal = {Solar Energy Materials and Solar Cells}, volume = {85}, number = {3}, year = {2005}, note = {2nd International Conference on Cat-CVD (Hot-Wire CVD) Process, DENVER, CO, SEP 10-14, 2002}, month = {JAN}, pages = {301-312}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {Electrical properties, FTIR spectroscopy, hot wire chemical vapor deposition, hydrogenated amorphous silicon, Raman spectroscopy}, issn = {0927-0248}, doi = {10.1016/j.solmat.2004.04.017}, author = {Jadkar, Sandesh R. and Sali, J. V. and Kshirsagar, S. T. and Takwale, M. G.} } @article { ISI:000231401000011, title = {In-Mg-hydrotalcite anionic clay as catalyst or catalyst precursor for friedel-crafts type benzylation reactions}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {239}, number = {1-2}, year = {2005}, month = {SEP}, pages = {76-81}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

In-Mg-hydrotalcite (Mg/In = 3) anionic clay with or without calcination (at 200-800 degrees C) or HCl pretreatment at different temperatures (26 and 80 degrees C) and periods (0.1 or 1.0 h) has been used for the benzylation of benzene and/or substituted benzenes by benzyl chloride. The hydrotalcite before and after its calcination or HCl pretreatment was characterized for its surface area, crystalline phases and basicity. The hydrotalcite particularly after its use in the benzylation reaction, and the catalyst derived from it by its calcination at 800 degrees C followed by HCl pretreatment (at 80 degrees C for 1.0 h), shows high catalytic activity even for the benzylation of benzene. The catalytically active species present in the catalyst in its most active form are the chlorides and oxides of indium on the catalyst surface. (c) 2005 Elsevier B.V. All rights reserved.

}, keywords = {activation of In-Mg-hydrotalcite by calcination, activation of In-Mg-hydrotalcite by HCl pretreatment, benzylation of benzene, benzylation of substituted benzenes, In-Mg-hydrotalcite}, issn = {1381-1169}, doi = {10.1016/j.molcata.2005.06.003}, author = {Choudhary, Vasant R. and Jha, Rani and Narkhede, V. 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:000232838800009, title = {Knowledge incorporated support vector machines to detect faults in Tennessee Eastman Process}, journal = {Computers \& Chemical Engineering}, volume = {29}, number = {10}, year = {2005}, month = {SEP}, pages = {2128-2133}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A support vector machine with knowledge incorporation is applied to detect the faults in Tennessee Eastman Process, a benchmark problem in chemical engineering. The knowledge incorporated algorithm takes advantage of the information on horizontal translation invariance in tangent direction of the instances in dataset. This essentially changes the representation of the input data while training the algorithm. These local translations do not alter the class membership of the instances in the dataset. The results on binary as well as multiple fault detection justify the use of knowledge incorporation. (c) 2005 Elsevier Ltd. All rights reserved.

}, keywords = {fault detection, knowledge, support vector machines, Tennessee Eastman Process}, issn = {0098-1354}, doi = {10.1016/j.compchemeng.2005.06.006}, author = {Kulkarni, A. and Jayaraman, Valadi K. and Kulkarni, B. D.} } @article { ISI:000229454100009, title = {Lilliputian hardware platform for scientific applications}, journal = {International Journal of Software Engineering and Knowledge Engineering}, volume = {15}, number = {2}, year = {2005}, note = {1st International Embedded and Hybrid Systems Conference, Singapore, SINGAPORE, MAY 11-13, 2005}, month = {APR}, pages = {189-192}, publisher = {WORLD SCIENTIFIC PUBL CO PTE LTD}, type = {Article, Proceedings Paper}, address = {5 TOH TUCK LINK, SINGAPORE 596224, SINGAPORE}, abstract = {

Microcontroller plays an important role in gearing up scientific applications for measurements, data acquisition and controls. With the advent of technology in microcontrollers, a new era in the form of microconverter is available at the user{\textquoteright}s doorstep. Benefited by the excellent features of Analog Devices{\textquoteright} microconverter chip ADuC 842, an attempt has been made to develop a Lilliputian platform for scientific applications at National Chemical Laboratory (NCL), Pune. A real time system has been developed for measuring surface tension exerted by Langmuir films formed at air water interface. The films are compressed by smooth and precision barrier mechanism through DC motor in a controlled manner. (IC)-C-2 compatible EEPROM is provided on board for data storage and it can be communicated to a PC through RS232 link for further analysis. The other features provided are, In-circuit programming for firmware updating, keyboard functioning for special routine executions, (IC)-C-2 compatible RTC and battery backup. The software has been completely developed using assembly language programming. Intelligent Lilliputian platform designed using ADuC 842 chip and graphic LCD for real time plotting of surface pressure area isotherm of Langmuir films has been developed and tested successfully at NCL.

}, keywords = {Langmuir films, microconverter}, issn = {0218-1940}, doi = {10.1142/S0218194005002361}, author = {Iyer, Neelima and Khatavkar, Rupali and Joshi, Bhagyashree and Upadhye, V.} } @article { ISI:000230338900005, title = {Low-temperature synthesis of nanocrystalline powders of lithium ferrite by an autocombustion method using citric acid and glycine}, journal = {Materials Letters}, volume = {59}, number = {21}, year = {2005}, month = {SEP}, pages = {2630-2633}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Nanocrystalline lithium ferrite is synthesized by an autocombustion method from the corresponding metal nitrates using citric acid as well as glycine as fuels. The ordered phase of lithium ferrite, in single phase form, with particle size of 32-36 nm and large coercivity, is obtained by this method at a low temperature of 200 degrees C. (c) 2005 Elsevier B.V. All rights reserved.

}, keywords = {Combustion synthesis, LiFe5O8, lithium ferrite, low-temperature synthesis, Magnetic materials, Nanomaterials}, issn = {0167-577X}, doi = {10.1016/j.matlet.2005.04.005}, author = {Verma, S. and Karande, J. and Patidar, A. and Joy, Pattayil Alias} } @article { ISI:000232871700013, title = {Magnetic and processability studies of nitrile rubber vulcanisates containing barium ferrite and carbon black}, journal = {Indian Journal of Chemical Technology}, volume = {12}, number = {5}, year = {2005}, month = {SEP}, pages = {582-587}, publisher = {NATL INST SCIENCE COMMUNICATION}, type = {Article}, address = {DR K S KRISHNAN MARG, NEW DELHI 110 012, INDIA}, abstract = {

Fine particles of barium ferrite (BaFe12O19) belonging to the M-type hexagonal ferrites were prepared by the conventional ceramic techniques. They were incorporated into a nitrile rubber matrix according to a specific recipe for various loadings to produce rubber ferrite composites (RFC)The percolation threshold is not reached for a maximum loading of 130 phr (parts per hundred rubber). Here in this paper, the magnetic properties and processability of the nitrile rubber based RFCs containing barium ferrite (BaF) and HAF carbon black is reported. The magnetic properties of the ceramic ferrite and these rubber ferrite composites were evaluated and it was found that the coercivity values of RFCs were less than that of the ceramic BaF, but remained constant with the loading of both the ferrite filler and carbon black. However, other properties like saturation magnetization and magnetic remanence increased with the loading of ferrite filler.

}, keywords = {barium ferrite, carbon black, Magnetic materials, nitrile rubber, rubber ferrite composites}, issn = {0971-457X}, author = {Soloman, M. A. and Kurian, P. and Anantharaman, Maliemadom R. and Joy, Pattayil Alias} } @conference { ISI:000227460600023, title = {Magnetic properties of nanosized ferrite powders synthesized by microwave-hydrothermal method}, booktitle = {Ninth International Conference on Ferrites (ICF-9)}, year = {2005}, note = {9th International Conference on Ferrites (ICF-9), San Francisco, CA, AUG 22-27, 2004}, month = {AUG}, pages = {143-148}, publisher = {Amer Ceramic Soc, 735 Ceramic Place, Westerville, OH 43081-8720 USA}, organization = {Amer Ceramic Soc, 735 Ceramic Place, Westerville, OH 43081-8720 USA}, address = {San Francisco, CA}, abstract = {

Nanosized powders of Fe3O4 and MgFe2O4 are synthesized by microwave-hydrothermal (MH) method. The ferrite powders thus obtained are characterized by powder X-ray diffraction, Mossbauer spectroscopy, scanning and transmission electron microscopies, vibrating sample magnetometer and AC magnetic susceptibility studies. Stoichiometric, nanosized (similar to 34 nm) Fe3O4 particles, having cubic symmetry with a(0) approximate to 8.39 angstrom, are obtained when molar ratio of Fe/NaOH used for the synthesis is 0.133. On the other hand, non-stoichiometric Fe3O4 is obtained when Fe/NaOH molar ratio is increased to 0.4. Though the powder XRD patterns of both stoichiometric and non-stoichiometric Fe3O4 are identical, Mossbauer spectroscopic studies showed different features in terms of asymmetry, intensity, isomer shift, etc. Saturation magnetization, M-s = 70 emu/g and coercivity, H-c = 178 Oe, at room temperature, are obtained for stoichiometric Fe3O4 powders. In the case of MgFe2O4, spherical, nanosized (similar to 3 nm) powders with cubic symmetry (a(0) approximate to 8.30 angstrom) and having very narrow size distribution are obtained under the MH conditions. The temperature and field dependent magnetic measurements on MgFe2O4 powders confirmed the existence of superparamagnetic state in this material with a superparamagnetic blocking temperature of 38 K below which typical magnetic hysteresis behaviour is observed.

}, isbn = {1-57498-218-4}, author = {Khollam, Y. B. and Dhage, S. R. and Verma, S. and Potdar, H. S. and Deshpande, S. B. and Joy, Pattayil Alias and Date, Sadgopal K.}, editor = {Soohoo, R. F.} } @article { ISI:000230890100064, title = {Magnetic properties of the self-doped lanthanum manganites La1-xMnO3}, journal = {Physical Review B}, volume = {72}, number = {2}, year = {2005}, month = {JUL}, pages = {024405}, publisher = {AMERICAN PHYSICAL SOC}, address = {ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA}, abstract = {

The magnetic properties of different compositions in the self-doped lanthanum manganites, La1-xMnO3, have been studied by ac susceptibility and dc magnetization measurements in the temperature range 10-300 K. All compositions with x \< 0.125 show an anomalous decrease in the ac susceptibility and zero field cooled (ZFC) dc magnetization at low temperatures, below the ferromagnetic ordering temperature. The temperature below which this anomalous behavior is observed, T-a, varies with the degree of La vacancy in the series where the Mn4+ concentration decreases with increasing x. Moreover, T-a varies with the Mn4+ content for a given composition. However, in both cases, this temperature levels off when the concentration of Mn4+ is above 23\%. The magnetic-transition-like feature broadens and shifts to further lower temperatures with increasing magnetic fields and vanishes when measured above a certain field. A small but drastic increase in the coercivity is observed below T-a. There is a direct correlation between the shapes of the curves of the inverse of the coercivity as a function of temperature and ac susceptibility, indicating the influence of magnetic anisotropy on the characteristics of the ac susceptibility and zero field cooled magnetization curves of the self-doped compounds. The direct correlation between the changes in the coercivity and ac susceptibility as well as ZFC magnetization when measured at low magnetic fields give evidence to the role of domain wall pinning effects, which varies with the degree of self-doping or Mn4+ concentration.

}, issn = {1098-0121}, doi = {10.1103/PhysRevB.72.024405}, author = {Sankar, C. R. and Joy, Pattayil Alias} } @article { ISI:000229786700020, title = {Microwave promoted solvent-free one-pot synthesis of N,N {\textquoteleft}-disubstituted urea derivatives}, journal = {Journal of Chemical Research-S}, number = {3}, year = {2005}, month = {MAR}, pages = {205-208}, publisher = {SCIENCE REVIEWS LTD}, type = {Article}, address = {PO BOX 314, ST ALBANS AL1 4ZG, HERTS, ENGLAND}, abstract = {

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

}, keywords = {Anilines, methyl 3-amino-2-butenoate, methyl anthranilate, Microwave, urea derivatives}, issn = {0308-2342}, author = {Jadhav, Vinod H. and Deshpande, S. S. and Borate, Hanumant B. and Wakharkar, R. D.} } @article { ISI: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 { ISI:000228658400021, title = {Morphology and chain dynamics during collapse transition of PNIPAM gels studied by combined imaging, relaxometry and Xe-129 spectroscopy techniques}, journal = {Magnetic Resonance Imaging}, volume = {23}, number = {2, SI}, year = {2005}, note = {7th International Conference on Magnetic Resonance in Porous Media (MRPM7), Palaiseau, FRANCE, JUL 04-08, 2004}, month = {FEB}, pages = {249-253}, publisher = {ELSEVIER SCIENCE INC}, address = {360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA}, abstract = {

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

}, keywords = {gel, networks, phase transition, relaxometry, Xe-129 spectroscopy}, issn = {0730-725X}, doi = {10.1016/j.mri.2004.11.019}, author = {Kariyo, Sobiroh and Kuppers, Markus and Badiger, Manohar V. and Prabhakar, A. and Jagadeesh, Bharatam and Stapf, S. and Blumich, B.} } @article { ISI:000229103900015, title = {Nanostructured tin oxide: synthesis and gas-sensing properties}, journal = {Materials Chemistry and Physics}, volume = {92}, number = {2-3}, year = {2005}, month = {AUG}, pages = {384-388}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Pure and Ru-doped nanostructured SnO2 sensing materials were synthesized using a modified Pechini route. Incorporation of Ru in SnO2 results in the reduction of particle size (8.3 nm) compared with that of the pure SnO2 (28.2 nm). Moreover, the sensor exhibited a reasonably good sensitivity towards both H-2 and liquified petroleum gas (LPG). The effect of Ru incorporation, operating temperature, and gas concentration on the structure, morphology, and sensitivity is discussed using the results of X-ray diffraction (XRD), and scanning electron microscopy (SEM) along with sensing performance. {\textcopyright} 2005 Elsevier B.V. All rights reserved.

}, keywords = {hydrogen and hydrocarbon sensor, Nanostructure, ruthenium, tin oxide}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2005.01.050}, author = {Niranjan, R. S. and Hwang, Young Kyu and Kim, D. K. and Jhung, S. H. and Chang, J. S. and Mulla, Imtiaz S.} } @article { ISI:000231634800045, title = {Novel low-temperature synthesis of nanosized NiZn ferrite}, journal = {Journal of the American Ceramic Society}, volume = {88}, number = {9}, year = {2005}, month = {SEP}, pages = {2597-2599}, publisher = {BLACKWELL PUBLISHING}, type = {Article}, address = {9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND}, abstract = {

Nanosized NiZn ferrite powder is synthesized by a low-temperature method, using a unique combination of citric acid and glycine. An appropriate molar ratio of both citric acid and glycine offers a low-temperature synthetic route by incorporating the complexation behavior of citric acid and the combustion nature of glycine. Thermal decomposition/controlled autocatalytic combustion of the composite gel occurs at a low temperature of around 175 degrees C, with the evolution of a large amount of gases. Transmission electron microscopic studies showed that the average particle size of the ferrite obtained is similar to 2.5 nm, with a narrow size distribution. Uniformly distributed fine-grained microstructure with low porosity is obtained for a sample sintered at 1000 degrees C.

}, issn = {0002-7820}, doi = {10.1111/j.1551-2916.2005.00445.x}, author = {Verma, S. and Pradhan, S. D. and Pasricha, R. and Sainkar, S. R. and Joy, Pattayil Alias} } @article { ISI:000232945400006, title = {Novel route for in-situ H2O2 generation from selective reduction of O-2 by hydrazine using heterogeneous Pd catalyst in an aqueous medium}, journal = {Chemical Communications}, number = {43}, year = {2005}, month = {OCT}, pages = {5399-5401}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Hydrogen peroxide in high yields can be generated with high efficiency at mild conditions (25 degrees C and atmospheric pressure) with the formation of only environment-friendly by-products (N-2 and H2O) by a reduction of O-2 by hydrazine from its hydrate/salt with its complete conversion in a short reaction period (\<= 0.5 h) using a easily separable supported Pd catalyst (Pd/Al2O3, Pd/Ga2O3 or Pd/C) in an acidic aqueous medium in the presence of bromide anions; the presence of both acid (protons) and bromide anions is essential for the selective reduction of O-2 by hydrazine to H2O2 and in their absence, the reaction leads only to the formation of water.

}, issn = {1359-7345}, doi = {10.1039/b510543a}, author = {Choudhary, Vasant R. and Samanta, C. and Jana, Prabhas} } @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:000227266100034, title = {Oxyfunctionalization of limonene using vanadium complex anchored on functionalized SBA-15}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {229}, number = {1-2}, year = {2005}, month = {MAR}, pages = {241-247}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

VO(Salten) complexes, where Salten = 3-[N,N{\textquoteright}-bis-3(salicylidenamino)ethyltriamine], have been covalently anchored on to functionalized SBA-15. The formation and integrity of the complex have been confirmed by elemental analysis, Fr-IR, X-ray diffraction (XRD) and BET measurements and the complex was used for the oxyfunctionalization of limonene in presence of urea hydroperoxide (UHP) as the oxidizing agent. The oxyfunctionalization of limonene resulted in limonene oxide, carvone, carvacrol and carveol. Anchored complex showed better catalytic activity than the neat complex, while the neat complexes has deactivated in the reaction due to formation of inactive alpha-oxo-bridged dimers, the covalently anchored complexes remained stable throughout the reaction. The anchored complex could be easily separated from the products and could be reused. (C) 2004 Elsevier B.V. All rights reserved.

}, keywords = {covalently anchored vanadium complex, functionalized Si-SBA-15, limonene, oxofunctionalization, UHP}, issn = {1381-1169}, doi = {10.1016/j.molcata.2004.12.008}, author = {Joseph, Trissa and Halligudi, Shivappa B.} } @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:000226290900011, title = {Rearrangement of allyl phenyl ether over Al-MCM-41}, journal = {Journal of Catalysis}, volume = {229}, number = {1}, year = {2005}, month = {JAN}, pages = {105-113}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

Claisen rearrangement of allyl phenyl ether to o-allylphenol and a dihydrobenzofuran derivative was investigated over MCM-41 with different Si/Al ratios. Higher aluminum content, higher reaction temperatures, and longer run duration favor the formation of the ring compound 2,3-dihydro-2-methyl benzofuran. There is a close relationship between acidity and conversion, which suggests that the reaction occurs inside the large pores of MCM-41. The influence of temperature and catalyst Si/Al ratio on the reaction are examined by kinetic analysis, under the assumption of a first-order consecutive reaction. (C) 2004 Elsevier Inc. All rights reserved.

}, keywords = {Al-MCM-41, allyl phenyl ether, Claisen rearrangement, Mesoporous material, molecular rearrangement, Solid acids}, issn = {0021-9517}, doi = {10.1016/j.jcat.2004.09.027}, author = {Mathew, Nevin T. and Khaire, S. and Mayadevi, S. and Jha, Ratnesh Kumar and Sivasanker, S.} } @article { ISI:000231744300010, title = {Regression models using pattern search assisted least square support vector machines}, journal = {Chemical Engineering Research and Design}, volume = {83}, number = {A8}, year = {2005}, month = {AUG}, pages = {1030-1037}, publisher = {INST CHEMICAL ENGINEERS}, type = {Article}, address = {165-189 RAILWAY TERRACE, DAVIS BLDG, RUGBY CV21 3HQ, ENGLAND}, abstract = {

Least Square Support Vector Machines (LS-SVM), a new machine-learning tool has been employed for developing data driven models of non-linear processes. The method is firmly rooted in the statistical learning theory and transforms the input data to a higher dimensional feature space where the use of appropriate kernel functions avoid computational difficulty. Further, a pattern search algorithm, which explores multiple directions and utilizes coordinate search with fixed step size, is employed for selecting optimal LS-SVM model that produces a minimum possible prediction error. To show the efficacy and efficiency of the fully automated pattern search assisted LS-SVM methodology, we have tested it on several benchmark examples. The study suggests that proposed paradigm can be a useful and viable tool in building data driven models of non-linear processes.

}, keywords = {equality constraints, LS-SVM, model selection, Optimization, pattern search}, issn = {0263-8762}, doi = {10.1205/cherd.03144}, author = {Patil, N. S. and Shelokar, P. S. and Jayaraman, Valadi K. and Kulkarni, B. D.} } @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 {42553, title = {Review on bubble formation, rise and break-up in a gas-liquid system}, journal = {Industrial \& Engineering Chemistry Research}, volume = {44}, year = {2005}, month = {MAY}, pages = {5873{\textendash}5931}, type = {Review}, abstract = {

The formation of gas bubbles and their subsequent rise due to buoyancy are very important fundamental phenomena that contribute significantly to the hydrodynamics in gas-liquid reactors. The rise of a bubble in dispersion can be associated with possible coalescence and dispersion followed by its disengagement from the system. The phenomenon of bubble formation decides the primitive bubble size in the system (which latter attains an equilibrium size), whereas the rise velocity decides the characteristic contact time between the phases which governs the interfacial transport phenomena as well as mixing. In view of their importance, we herein present a comprehensive review of bubble formation and bubble rise velocity in gas-liquid systems. The emphasis of this review is to illustrate the present status of the subjects under consideration and to highlight the possible future directions for further understanding of the subject. The bubble formation at a single submerged orifice and on multipoint sieve trays in Newtonian as well as non-Newtonian stagnant and flowing liquids is discussed in detail, which includes its mechanism as well as the effect of several system and operating parameters on the bubble size. The comparison of results has shown that the formulation of Gaddis and Vogelpohl22 is the most suitable for the estimation of bubble size in stagnant liquids. The special cases, such as bubble formation in reduced gravity conditions and weeping and in flowing liquids, are discussed in detail. The section on the rise of a gas bubble in liquid covers the various parameters governing bubble rise and their effect on the rise velocity. A comprehensive comparison of the various formulations is made by validating the predictions with experimental data for Newtonian as well as non-Newtonian liquids, published over last several decades. The results highlight that for the estimation of rise velocity in (i) pure Newtonian liquids, (ii) contaminated Newtonian liquids, and (iii) non-Newtonian liquids, the formulation based on the wave theory by Mendelson,190 Nguyen{\textquoteright}s formulation,155 and the formulation by Rodrigues,153 (last two, based on the dimensional analysis), respectively are the most suitable. The motion of bubbles in non-Newtonian liquids and the reason behind the discontinuity in the velocity are also discussed in detail. The bubble rise is also analyzed in terms of the drag coefficient for different system parameters and bubble sizes.

}, doi = {10.1021/ie049131p}, author = {Kulkarni, Amol A. and Joshi, Jyeshtharaj B.} } @article { ISI:000232933700014, title = {Superspin glass behavior of a nonstoichiometric lanthanum manganite LaMnO3.13}, journal = {Physical Review B}, volume = {72}, number = {13}, year = {2005}, month = {OCT}, pages = {132407}, publisher = {AMERICAN PHYSICAL SOC}, type = {Article}, address = {ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA}, abstract = {

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

}, issn = {1098-0121}, doi = {10.1103/PhysRevB.72.132407}, author = {Sankar, C. R. and Joy, Pattayil Alias} } @article { ISI:000224609100004, title = {SVM classifier incorporating simultaneous noise reduction and feature selection: illustrative case examples}, journal = {Pattern Recognition}, volume = {38}, number = {1}, year = {2005}, month = {JAN}, pages = {41-49}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {classification, conditional entropy, SVM, symbolization}, issn = {0031-3203}, doi = {10.1016/j.patcog.2004.06.002}, author = {Kumar, R. and Jayaraman, Valadi K. and Kulkarni, B. D.} } @conference { ISI:000227460600141, title = {Synthesis and magnetic properties of polycrystalline Co-doped ZnO}, booktitle = {9th International Conference on Ferrites (ICF-9)}, year = {2005}, note = {9th International Conference on Ferrites (ICF-9), San Francisco, CA, AUG 22-27, 2004}, month = {AUG}, pages = {913-918}, publisher = {Amer Ceram Soc; Japan Soc Powder \& Powder Met; Int Magnet Assoc; Amer Phys Soc}, organization = {Amer Ceram Soc; Japan Soc Powder \& Powder Met; Int Magnet Assoc; Amer Phys Soc}, address = {San Francisco, CA}, abstract = {

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

}, isbn = {1-57498-218-4}, author = {Deka, Sasanka and Date, Sadgopal K. and Joy, Pattayil Alias}, editor = {Soohoo, R. F.} } @article { ISI:000228779100008, title = {Synthesis, characterization and catalytic potentials of polymer anchored copper(II), oxovanadium(IV) and dioxomolybdenum(VI) complexes of 2-(alpha-hydroxymethyl)benzimidazole}, journal = {Reactive \& Functional Polymers}, volume = {63}, number = {1}, year = {2005}, month = {MAR}, pages = {71-83}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {2-(alpha-hydroxymethyl)benzimidazole, oxidation of styrene and ethyl benzene, oxidative bromination of salicylaldehyde, polymer anchored-complexes}, issn = {1381-5148}, doi = {10.1016/j.reactfunctpolym.2005.02.008}, author = {Maurya, Mannar R. and Sikarwar, S. and Joseph, Trissa and Manikandan, Palanichamy and Halligudi, Shivappa B.} } @article { ISI:000231359100007, title = {Synthesis, characterization, and performance evaluation of polymeric HALS in ethylene-propylene-diene terpolymer (EPDM)}, journal = {Journal of Macromolecular Science, Part A: Pure and Applied Chemistry }, volume = {A42}, number = {8}, year = {2005}, month = {AUG}, pages = {1037-1046}, publisher = {TAYLOR \& FRANCIS INC}, type = {Article}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {

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

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

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

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

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

}, keywords = {Co0.5Zn0.5Fe2O4, Mossbauer spectroscopy, nano materials}, issn = {0167-577X}, doi = {10.1016/j.matlet.2005.06.004}, author = {Sharma, R. K. and Suwalka, O. and Lakshmi, N. and Venugopalan, K. and Banerjee, Abhik and Joy, Pattayil Alias} } @article { ISI:000230375200016, title = {Synthesis of fine PbE (E = S, Se) powder from direct in situ reduction of sulphur or selenium}, journal = {Materials Chemistry and Physics}, volume = {93}, number = {1}, year = {2005}, month = {SEP}, pages = {91-94}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

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

}, keywords = {Chemical synthesis, electronic materials, reduction, Semiconductor}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2005.02.025}, author = {Khanna, P. K. and Subbarao, VVVS and Wagh, M. and Jadhav, P. and Patil, K. R.} } @article { ISI:000228936300008, title = {Textural/structural, stability and morphological properties of mesostructured silicas (MCM-41 and MCM-48) prepared using different silica sources}, journal = {Catalysis Communications}, volume = {6}, number = {5}, year = {2005}, month = {MAY}, pages = {361-366}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

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

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

}, keywords = {Activation energy, Degradation, kinetics (polym.), Polycondensation, polyesters}, issn = {0021-8995}, doi = {10.1002/app.21587}, author = {Mule, Smita Atmaram and Ghadage, R. S. and Jacob, Nalini E. and Rajan, C. R. and Ponrathnam, Surendra} } @article { ISI:000227346300059, title = {Unusual monodentate binding mode of 2,2 {\textquoteleft}-dipyridylamine (L) in isomeric trans(acac)(2)Ru-II(L)2, trans-[(acac)(2)Ru-III(L)(2)]ClO4, and cis-(acac)(2)Ru-II(L)(2) (acac = acetylacetonate). Synthesis, structures, and spectroscopic, electrochemical, and magn}, journal = {Inorganic Chemistry}, volume = {44}, number = {5}, year = {2005}, month = {MAR}, pages = {1571-1579}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

{The reaction of cis-Ru(acac)(2)(CH3CN)(2) (acac = acetylacetonate) with 2,2{\textquoteright}-dipyridylamine (L) in ethanolic medium resulted in facile one-pot synthesis of stable [(acac)(2)Ru-III(L)]ClO4 ([1]ClO4), trans-[(acac)(2)Ru-II(L)2] (2), trans[(acac)(2)Ru-III(L)(2)[ClO4 ([2]ClO4), and cis-[(acac)(2)Ru-II(L)(2)] (3). The bivalent congener 1 was generated via electrochemical reduction Of [1]ClO4. Although in [1](+) the dipyridylamine ligand (L) is bonded to the metal ion in usual bidentate fashion, in 2/[2](+) and 3, the unusual monodentate binding mode of L has been preferentially stabilized. Moreover, in 2/[2](+) and 3, two such monodentate L{\textquoteright}s have been oriented in the trans- and cis-configurations, respectively. The binding mode of L and the isomeric geometries of the complexes were established by their single-crystal X-ray structures. The redox stability of the Ru(II) state follows the order 1 \< 2 much less than 3. In contrast to the magnetic moment obtained for [1]ClO4

}, issn = {0020-1669}, doi = {10.1021/ic049219v}, author = {Kar, S. and Chanda, N. and Mobin, Shaikh M. and Urbanos, F. A. and Niemeyer, M. and Puranik, Vedavati G. and Jimenez-Aparicio, Reyes and Lahiri, Goutam Kumar} } @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:000237835100010, title = {Adsorption of octadecyltrichlorosilane on mesoporous SBA-15}, journal = {Applied Surface Science}, volume = {252}, number = {12}, year = {2006}, month = {APR}, pages = {4097-4103}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {Adsorption, OTS, SBA-15, Self-assembly, thermal stability}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2005.06.009}, author = {Mirji, S. A. and Halligudi, Shivaraj B. and Sawant, Dhanashri P. and Jacob, Nalini E. and Patil, K. R. and Gaikwad, A. B. and Pradhan, S. D.} } @article { ISI:000240279200047, title = {Assembly of hydrothermally stable ethane-bridged periodic mesoporous organosilicas with spherical and wormlike structures}, journal = {Microporous and Mesoporous Materials}, volume = {94}, number = {1-3}, year = {2006}, month = {SEP}, pages = {364-370}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Hydrothermally stable periodic mesoporous organosilicas with spherical as well as wormlike frame structures were synthesised by two different synthesis routes using the silsesquioxane precursor, 1,2-bis (triethoxy silyl) ethane (BTEE) and surfactant octadecyl trimethyl ammonium (ODTA), under basic conditions. The materials were characterized by PXRD, SEM, TEM, N-2 adsorption-desorption, FT-IR, Si-29 MAS NMR, C-13 CP MAS NMR and TG-DTA techniques. Characterization techniques revealed that the morphology of the hybrid material prepared from pure silsesquioxane precursor resulted in spherical particles while a combination of tetra ethyl orthosilicate and 1,2-bis (triethoxy silyl) ethane (90:10 ratio) resulted in materials having wormlike structures. Hydrothermal stability of the hybrid material was evaluated by refluxing the sample under boiling water for various time periods and was compared with that of a periodic mesoporous silica material, Si-MCM-41. Results showed that the hybrid material is stable up to 100 h in boiling water, with the existence of d(100) peak, while the mesopore structure of Si-MCM-41 get destroyed even after a 12 h reflux time. The improved hydrothermal stability of the hybrid material is related to the more hydrophobic environment induced inside the pore channels, due to the presence of integrating ethane groups in the wall channels. (c) 2006 Elsevier Inc. All rights reserved.

}, keywords = {hybrid mesoporous materials, Hydrothermal stability, spherical particles, wormlike structures}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2006.04.012}, author = {Shylesh, S. and Jha, Ratnesh Kumar and Singh, A. P.} } @article { ISI:000242601100010, title = {Assembly of phase transferred nickel nanoparticles at air-water interface using Langmuir-Blodgett technique}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {6}, number = {12}, year = {2006}, month = {DEC}, pages = {3736-3745}, publisher = {AMER SCIENTIFIC PUBLISHERS}, type = {Article}, address = {25650 NORTH LEWIS WAY, STEVENSON RANCH, CA 91381-1439 USA}, abstract = {

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

}, keywords = {assembly, Langmuir-Blodgett technique, Ni nanoparticles, Phase transfer}, issn = {1533-4880}, doi = {10.1166/jnn.2006.615}, author = {Bala, Tanushree and Joshi, Bhagyashree and Iyer, Neelima and Sastry, Murali and Bhagavatula L. V. Prasad} } @article {42737, title = {Brewster angle microscope - an excellent tool for nanoscience researchers}, journal = {Synthesis and Reactivity in Inorganic Metal - Organic and Nano-Metal Chemistry}, volume = {36}, year = {2006}, month = {AUG}, pages = {227-229}, type = {Article}, doi = {10.1080/15533170500524785}, author = {Joshi, Bhagyashree and Khatavkar, Rupali and Iyer, Neelima} } @article { ISI:000241306000020, title = {Characterization of nanosized NiZn ferrite powders synthesized by an autocombustion method}, journal = {Materials Chemistry and Physics}, volume = {100}, number = {1}, year = {2006}, month = {NOV}, pages = {98-101}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Nanocrystalline Ni0.5Zn0.5Fe2O4 with average particle size of similar to 9 nm has been synthesized by an autocombustion method and characterized by powder XRD, TEM and room temperature magnetic measurements. High room temperature magnetization comparable to that of the bulk material is obtained for the nanosized powders annealed at 800 degrees C, with a maximum particle size of similar to 54 nm. The results show that optimum properties can be achieved for NiZn ferrite powders synthesized by the present autocombustion method and processed at relatively lower temperatures. (c) 2005 Elsevier B.V. All rights reserved.

}, keywords = {Chemical synthesis, Magnetic materials, magnetic properties, Oxides}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2005.12.012}, author = {Deka, Sasanka and Joy, Pattayil Alias} } @article { ISI:000237318000033, title = {Chemoselective anti-Markovnikov hydroamination of alpha,beta-ethylenic compounds with amines using montmorillonite clay}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {250}, number = {1-2}, year = {2006}, month = {MAY}, pages = {210-217}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The catalytic activity of montmorillonite clays as a catalyst for the hydroamination of alpha,beta-ethylenic compounds with amines was tested. Aniline and substituted amines reacted with alpha,beta-ethylenic compounds in the presence of catalytic amount of commercially available clay to afford exclusively anti-Markovnikov adduct in excellent yields. Aniline reacted with ethyl acrylate to yield only anti-Markovnikov adduct N-[2-(ethoxycarbonyl)ethyl] aniline (mono-addition product). No Markovnikov adduct (N-[1-(ethoxycarbonyl)ethyl]aniline and double addition product N,N-bis[2-(ethoxycarbonyl)ethyl]aniline were formed under selected reaction conditions. For a better exploitation of the catalytic activity in terms of increased activity and improved selectivity for the mono-addition product, the reaction parameters were optimized in terms of temperature, solvent, reactant mole ratio. Under optimized reaction conditions, montmorillonite clay K-10 showed a superior catalytic performance in the hydroamination of ethyl acrylate with aniline with a conversion of aniline to mono-addition product (almost 100\% chemoselectivity) with a high rate constant 0.3414 min(-1) compared to the reported protocols. The dependence of conversion of aniline over different types of montmorillonite clays (K-10, K-20, K-30, Al-Pillared clay and untreated clay) has also been discussed. The activities of clay for the hydroamination of different aromatic and aliphatic amines have also been investigated. Under harsh reaction conditions (increased temperature and long reaction time) small amounts of di-addition products were observed. The kinetics data has been interpreted using the initial rate approach model. (c) 2006 Elsevier B.V. All rights reserved.

}, keywords = {alpha, amines, anti-Markovnikov addition product, beta-ethylenic compounds, chemo-selective, hydroamination, K-10 montmorillonite clay}, issn = {1381-1169}, doi = {10.1016/j.molcata.2006.01.062}, author = {Joseph, Trissa and Shanbhag, G. V. and Sawant, D. P. and Halligudi, Shivappa B.} } @article { ISI:000241306300002, title = {Claisen rearrangement of allyl phenyl ether over zeolites beta, mordenite and Y}, journal = {Microporous and Mesoporous Materials}, volume = {95}, number = {1-3}, year = {2006}, month = {OCT}, pages = {8-16}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The Claisen rearrangement of allyl phenyl ether (APE) to o-allylphenol was investigated over zeolites beta (BEA), mordenite (MOR) and Y (FAU) with different Si/Al ratios. Over the zeolite catalysts, the allylphenol cyclized to produce 2,3-dihydro-2-methyl benzofuran. Larger catalyst loading, higher reaction temperatures and longer run duration favored the formation of the ring compound. Conversion was small over MOR and FAU although they possessed higher acidity (as measured by the temperature programmed desorption of ammonia) compared to BEA. Studies using BEA revealed that the nature of the solvent influenced the reaction rate. The order of reactivity in the solvents was, benzene \> EDC (1,2-dichloroethane) \> toluene \> TCE (1, 1,2,2-tetrachloroethane) \>\> ACN (acetonitrile). The intermediate allylphenol reacted with the aromatic solvents to produce byproducts when benzene and toluene were used as solvents. A kinetic analysis assuming first order series and parallel reactions is presented. (c) 2006 Elsevier Inc. All rights reserved.

}, keywords = {allyl phenyl ether, allylphenol, Benzofuran, Claisen rearrangement, zeolites}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2006.05.001}, author = {Wagholikar, S. G. and Mayadevi, S. and Jacob, Nalini E. and Sivasanker, 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: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 {42596, title = {Control of molecular structure in the generation of highly luminescent liquid crystalline perylenebisimide derivatives: synthesis, liquid crystalline and photophysical properties}, journal = {Journal of Physical Chemistry B}, volume = {110}, year = {2006}, month = {SEP}, pages = {20937{\textendash}20947}, type = {Article}, abstract = {

We report here, for the first time, the role of the molecular design on the liquid crystalline and solid-state photoluminescent properties of soluble and thermally stable liquid crystalline perylenebisimide derivatives. A new series of perylenebisimides were designed and developed for this purpose by adopting the stoichiometry-control approach, and amine-, hydroxyl-, ester-, and amide-functionalized molecules were synthesized. Various types of spacers with different lengths (C2 to C12), types (linear, cyclohexyl, and tricyclodecane), and end-capped by phenyl or tridodecyloxy gallic units were introduced in the perylenebisimide core. The molecules were completely characterized by NMR, FT-IR, SEC, and MALDI-TOF mass techniques. Thermal analysis revealed that the perylenebisimide derivatives were thermotropic liquid crystalline, and threadlike nematic phases were observed under a polarizing light microscope. The spacer length and the rigidity of the spacers play a major role in the liquid crystalline properties of the materials. In phenyl systems, the C6 chain with ester- and the C12 chain with amide-end-capped molecules showed a nematic phase, whereas the C6 chain with an amide end cap and their cyclic and tricyclic counterparts did not show any LC property. The introduction of a tridodecyloxy gallic unit induced the LC property in C12 and the cyclohexyl system; however, it failed to do so in the tricyclodecane molecule. The absorption properties of the molecules were almost unchanged by the structural variation; however, the emission quantum yield in solution and photoluminescent (PL) intensity in the solid state were significantly different. Though the gallic unit induced liquid crystallinity in the perylenebisimide core, the quantum yield and PL intensity are 4-5 times less compared to those of the simple phenyl-capped liquid crystalline system. Among the various types of spacers, the tricyclodecane induced strong molecular aggregates via π-stacking, which in turn increased the rigidity of the entire perylenebisimide core, resulting in the absence of liquid crystallinity and low luminescence compared to their linear and cyclohexyl analogues. The molecular aggregates were very stable even at very dilute concentration and also at high temperatures. The aggregates disappeared immediately upon addition of trifluoroacetic acid, thus confirming the strong hydrogen bonding in the aggregated states. In a nutshell, the present report demonstrates the importance of molecular design for introducing liquid crystalline phases in perylenebisimides and also the development of novel highly luminescent n-type π-conjugated material for application in optoelectronics.

}, doi = {10.1021/jp063943c}, author = {Jancy, B. and Asha, S. K.} } @article { ISI:000238963800023, title = {Copper-, ligand- and solvent-free synthesis of ynones by coupling acid chlorides with terminal alkynes}, journal = {Tetrahedron Letters}, volume = {47}, number = {31}, year = {2006}, month = {JUL}, pages = {5527-5530}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A general and efficient copper-, ligand- and solvent-free synthesis of ynones by coupling of a wide range of acid chlorides with terminal alkynes catalyzed by palladium(II) acetate at room temperature is reported. (c) 2006 Elsevier Ltd. All rights reserved.

}, keywords = {ligandless, neat, ynones}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2006.05.166}, author = {Palimkar, Sanjay S. and Kumar, P. Harish and Jogdand, Nivrutti R. and Daniel, Thomas and Lahoti, Rajgopal J. and Srinivasan, Kumar V.} } @article { ISI:000239581200006, title = {Crystallisation in polymer nanocomposites}, journal = {Materials Science and Technology}, volume = {22}, number = {7}, year = {2006}, month = {JUL}, pages = {797-806}, publisher = {MANEY PUBLISHING}, type = {Article}, address = {HUDSON RD, LEEDS LS9 7DL, ENGLAND}, abstract = {

Polymer nanocomposites are of interest as they exhibit extraordinary properties compared with the base polymer. The second phase dispersed in the polymer matrix can be carbon nanotubes, semi-conducting inorganic nanoparticles or layer silicates such as clay. Crystallisation in these materials is also of great interest. Polymers exhibit structures at various scales (e.g. lamella, unit cell and spherulites) and the presence of a second phase has a profound effect on crystallisation. General trends observed include acceleration/retardation of crystallisation, changes in spherulite morphology and, in a few cases, changes in the crystal structure. All these observations relate to the presence of a micrometre scale second phase. However, when the dimensions of the second phase are close to the chain dimensions, the effects on crystallisation become particularly interesting. An attempt is made in the present review to address the effect of a nanoscale second phase on aspects such as isothermal and non-isothermal crystallisation, spherulite growth, phase transformation and polymorphism.

}, keywords = {clay, crystallisation, Nanocomposites, polymer matrix composites}, issn = {0267-0836}, doi = {10.1179/174328406X101300}, author = {Jog, Jyoti Prakash} } @article { ISI:000240258600018, title = {Crystallization and phase transformation kinetics of poly(1-butene)/MWCNT nanocomposites}, journal = {Polymer}, volume = {47}, number = {18}, year = {2006}, month = {AUG}, pages = {6414-6421}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Poly(1-butene)/MWCNT nanocomposites were prepared by simple melt processing technique. Crystallization, crystal-to-crystal phase transformation and spherulitic morphology were studied using differential scanning calorimetry (DSC), wide angle X-ray diffraction (WAXD) and optical microscopy (OM). The non-isothermal crystallization exhibited higher values of Z, derived from Avrami theory and lower values of F(T) obtained from Avrami-Ozawa analysis, while the isothermal crystallization revealed a significant increase in crystallization temperatures and lower crystallization half times compared to pristine PB. The observed changes in the crystallization kinetics were ascribed to the enhanced nucleation of PB in the presence of MWCNT. The nucleating activity calculated from the non-isothermal crystallization data revealed that the MWCNTs provide an active surface for the nucleation of PB. The optical micrographs exhibited significantly smaller crystallites with disordered morphology for the nanocomposites compared to the well defined spherulitic morphology for pristine PB. The rate of phase transformation from kinetically favored tetragonal to thermodynamically stable hexagonal form was noticeably enhanced as evidenced by the reduction in the half time for phase transformation from 58 h to 25 h for PB reinforced with 7\% MWCNT. (c) 2006 Elsevier Ltd. All rights reserved.

}, keywords = {MWCNT, Phase transformation, poly(1-butene)}, issn = {0032-3861}, doi = {10.1016/j.polymer.2006.07.011}, author = {Wanjale, Santosh D. and Jog, Jyoti Prakash} } @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: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 { ISI:000242137400025, title = {Efficient deprotection of dithioacetals to carbonyls using Oxone-KBr in aqueous acetonitrile}, journal = {Tetrahedron Letters}, volume = {47}, number = {48}, year = {2006}, month = {NOV}, pages = {8559-8561}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {deprotection, dethioacetalization, Oxone}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2006.09.138}, author = {Desai, Uday V. and Pore, D. M. and Tamhankar, B. V. and Jadhav, Sushilkumar A. and Wadgaonkar, P. P.} } @article { ISI:000236770900036, title = {Enhanced magnetostrictive properties of Mn substituted cobalt ferrite Co1.2Fe1.8O4}, journal = {Journal of Applied Physics}, volume = {99}, number = {7}, year = {2006}, month = {APR}, pages = {Article No. 107901}, publisher = {AMER INST PHYSICS}, type = {Article}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {

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

}, issn = {0021-8979}, doi = {10.1063/1.2183356}, author = {Bhame, Shekhar D. and Joy, Pattayil Alias} } @article { ISI:000241157000039, title = {Evidence for intergranular tunnelling in polyaniline passivated alpha-Fe nanoparticles}, journal = {Nanotechnology}, volume = {17}, number = {18}, year = {2006}, month = {SEP}, pages = {4765-4772}, publisher = {IOP PUBLISHING LTD}, type = {Article}, address = {DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND}, abstract = {

Nanoparticles are of immense importance both from the fundamental and application points of view. They exhibit quantum size effects which are manifested in their improved magnetic and electric properties. Mechanical attrition by high energy ball milling (HEBM) is a top down process for producing fine particles. However, fineness is associated with high surface area and hence is prone to oxidation which has a detrimental effect on the useful properties of these materials. Passivation of nanoparticles is known to inhibit surface oxidation. At the same time, coating polymer film on inorganic materials modifies the surface properties drastically. In this work a modified set-up consisting of an RF plasma polymerization technique is employed to coat a thin layer of a polymer film on Fe nanoparticles produced by HEBM. Ball-milled particles having different particle size ranges are coated with polyaniline. Their electrical properties are investigated by measuring the dc conductivity in the temperature range 10-300 K. The low temperature dc conductivity (I-V) exhibited nonlinearity. This nonlinearity observed is explained on the basis of the critical path model. There is clear-cut evidence for the occurrence of intergranular tunnelling. The results are presented here in this paper.

}, issn = {0957-4484}, doi = {10.1088/0957-4484/17/18/039}, author = {Sunny, Vijutha and Narayanan, T. N. and Sajeev, U. S. and Joy, Pattayil Alias and Kumar, D. Sakthi and Yoshida, Yasuhiko and Anantharaman, Maliemadom R.} } @article { ISI:000242639200001, title = {Evolution of the stereoselective pinacol coupling reaction}, journal = {Tetrahedron}, volume = {62}, number = {52}, year = {2006}, month = {DEC}, pages = {12137-12158}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, keywords = {diastereoselective, enantioselective., pinacol coupling, reductive dimerization}, issn = {0040-4020}, doi = {10.1016/j.tet.2006.09.002}, author = {Chatterjee, A. and Joshi, Navalkishore N.} } @article { ISI:000239426700005, title = {Experimental comparison of the structural, magnetic, electronic, and optical properties of ferromagnetic and paramagnetic polycrystalline Zn1-xCoxO (x=0,0.05,0.1)}, journal = {Physical Review B}, volume = {74}, number = {3}, year = {2006}, month = {JUL}, pages = {Article No. 033201}, publisher = {AMERICAN PHYSICAL SOC}, type = {Article}, address = {ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA}, abstract = {

Ferromagnetism at room temperature is observed in one case whereas paramagnetism down to 12 K is observed in the second case when polycrystalline Zn1-xCoxO is synthesized under almost identical conditions. Identical x-ray diffraction, optical absorption, and x-ray photoelectron spectroscopy results indicate the incorporation of Co2+ ions in the ZnO lattice in both cases. However, electron diffraction studies show the presence of Co metal impurities in the ferromagnetic samples, indicating that pure Co doped ZnO is not likely to be ferromagnetic.

}, issn = {1098-0121}, doi = {10.1103/PhysRevB.74.033201}, author = {Deka, Sasanka and Pasricha, Renu and Joy, Pattayil Alias} } @article { ISI:000239174100073, title = {Ferromagnetism induced by hydrogen in polycrystalline nonmagnetic Zn0.95Co0.05O}, journal = {Applied Physics Letters}, volume = {89}, number = {3}, year = {2006}, month = {JUL}, pages = {Article No. 032508}, publisher = {AMER INST PHYSICS}, type = {Article}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {

Polycrystalline Zn0.95Co0.05O is found to be paramagnetic at room temperature and down to 12 K. Optical measurements prove the incorporation of Co2+ ions inside the ZnO lattice in the tetrahedral site. When the paramagnetic sample is heated in Ar/H-2 at 1125 K for 2 h, ferromagnetism with a very high value of magnetization is observed at room temperature. Hydrogen reduction does not affect the substituted Co2+ ions inside the wurtzite crystal lattice as evidenced from optical studies. X-ray diffraction studies show the presence of Co metal after the reduction process which is the origin of room temperature ferromagnetism. (c) 2006 American Institute of Physics.

}, issn = {0003-6951}, doi = {10.1063/1.2227642}, author = {Deka, Sasanka and Joy, Pattayil Alias} } @article { ISI:000242931900034, title = {Field emission from oriented tin oxide rods}, journal = {Thin Solid Films}, volume = {515}, number = {4}, year = {2006}, month = {DEC}, pages = {1450-1454}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

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

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

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

}, keywords = {grain size, magnetic properties, Nanoparticles, Nickel ferrite, strain}, issn = {0304-8853}, doi = {10.1016/j.jmmm.2005.08.029}, author = {George, M. and John, A. M. and Nair, S. S. and Joy, Pattayil Alias and Anantharaman, Maliemadom R.} } @article { ISI:000241755300045, title = {First enantiospecific synthesis of (-)-parvifoline and (-)-curcuquinone}, journal = {Journal of Organic Chemistry}, volume = {71}, number = {23}, year = {2006}, month = {NOV}, pages = {8986-8988}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

}, issn = {0022-3263}, doi = {10.1021/jo061730d}, author = {Chavan, Subhash P. and Thakkar, Mahesh and Jogdand, Ganesh F. and Kalkote, Uttam R.} } @article { ISI:000240238100085, title = {Flexible ring polymers in an obstacle environment: Molecular theory of linear viscoelasticity}, journal = {Physical Review E}, volume = {74}, number = {2, 1}, year = {2006}, month = {AUG}, pages = {Article No. 021805}, publisher = {AMERICAN PHYSICAL SOC}, type = {Article}, address = {ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA}, abstract = {

We formulate a coarse-grained mean-field approach to study the dynamics of the flexible ring polymer in any given obstacle (gel or melt) environment. The similarity of the static structure of the ring polymer with that of the ideal randomly branched polymer is exploited in formulating the dynamical model using aspects of the pom-pom model for branched polymers. The topological constraints are handled via the tube model framework. Based on our formulation we obtain expressions for diffusion coefficient D, relaxation times tau, and dynamic structure factor g(k,t). Further, based on the framework we develop a molecular theory of linear viscoelasticity for ring polymers in a given obstacle environment and derive the expression for the relaxation modulus G(t). The predictions of the theoretical model are in agreement with previously proposed scaling arguments and in qualitative agreement with the available experimental results for the melt of rings.

}, issn = {1539-3755}, doi = {10.1103/PhysRevE.74.021805}, author = {Iyer, Balaji V. S. and Lele, Ashish K. and Juvekar, Vinay A.} } @article { ISI:000234644600023, title = {Hydrothermal synthesis of MCM-41 using differently manufactured amorphous dioxosilicon sources}, journal = {Materials Letters}, volume = {60}, number = {7}, year = {2006}, month = {APR}, pages = {957-961}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {Characterization, dioxosilicon sources, Hydrothermal synthesis, MCM-41, porosity, Structural stability}, issn = {0167-577X}, doi = {10.1016/j.matlet.2005.10.049}, author = {Gaydhankar, T. R. and Samuel, V. and Joshi, P. N.} } @article { ISI:000238978400001, title = {Improved time series prediction with a new method for selection of model parameters}, journal = {Journal of Physics A-Mathematical and General}, volume = {39}, number = {30}, year = {2006}, month = {JUL}, pages = {L483-L491}, publisher = {IOP PUBLISHING LTD}, type = {Article}, address = {DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND}, abstract = {

A new method for model selection in prediction of time series is proposed. Apart from the conventional criterion of minimizing RMS error, the method also minimizes the error on the distribution of singularities, evaluated through the local Holder estimates and its probability density spectrum. Predictions of two simulated and one real time series have been done using kernel principal component regression (KPCR) and model parameters of KPCR have been selected employing the proposed as well as the conventional method. Results obtained demonstrate that the proposed method takes into account the sharp changes in a time series and improves the generalization capability of the KPCR model for better prediction of the unseen test data.

}, issn = {0305-4470}, doi = {10.1088/0305-4470/39/30/L01}, author = {Jade, A. M. and Jayaraman, Valadi K. and Kulkarni, B. D.} } @article { ISI:000239975900022, title = {In situ optical emission spectroscopic investigations during arc plasma synthesis of iron oxide nanoparticles by thermal plasma}, journal = {IEEE Transactions on Plasma Science}, volume = {34}, number = {4, 1}, year = {2006}, month = {AUG}, pages = {1175-1182}, publisher = {IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC}, type = {Article}, address = {445 HOES LANE, PISCATAWAY, NJ 08855 USA}, abstract = {

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

}, keywords = {plasma arc device, plasma-materials processing applications, spectroscopy}, issn = {0093-3813}, doi = {10.1109/TPS.2006.878430}, author = {Banerjee, Indrani and Joshi, N. K. and Sahasrabudhe, S. N. and Kulkarni, Naveen V. and Karmakar, Soumen and Pasricha, R. and Ghorui, S. and Tak, Atul K. and Murthy, Shri P. S. S. and Bhoraskar, S. V. and Das, A. K.} } @article { ISI:000236313300022, title = {Influence of extended pi-conjugation units on carrier mobilities in conducting polymers}, journal = {Chemical Physics Letters}, volume = {420}, number = {4-6}, year = {2006}, month = {MAR}, pages = {387-390}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, issn = {0009-2614}, doi = {10.1016/j.cplett.2006.01.009}, author = {Harima, Yutaka and Kim, D. H. and Tsutitori, Y. and Jiang, Xiaoqing and Patil, R. and Ooyama, Y. and Ohshita, J. and Kunai, A.} } @proceedings {42734, title = {Microconverter ADuC842 and LabVIEW platform ? a best suitable approach for real time plotting of pressure area isotherm of a monolayer}, year = {2006}, month = {FEB}, pages = {70-73}, publisher = {World Scientific and Engineering Academy and Society (WSEAS)}, address = {Madrid, Spain}, author = {Iyer, Neelima and Khatavkar, Rupali and Joshi, Bhagyashree} } @article { ISI:000240831600022, title = {Modifications in magnetic anisotropy of M-type strontium hexaferrite crystals by swift heavy ion irradiation}, journal = {Journal of Magnetism and Magnetic Materials}, volume = {305}, number = {2}, year = {2006}, month = {OCT}, pages = {392-402}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {anisotropy field, Curie temperature, irradiation, Magnetic anisotropy, Magnetization}, issn = {0304-8853}, doi = {10.1016/j.jmmm.2006.01.110}, author = {Kaur, Balwinder and Bhat, Monita and Licci, F. and Kumar, Ravi and Kulkarni, S. D. and Joy, Pattayil Alias and Bamzai, K. K. and Kotru, P. N.} } @article {43385, title = {Morphological mutants of gibberella fujikuroi for enhanced production of gibberellic acid}, journal = {Journal of Applied Microbiology}, volume = {100}, year = {2006}, month = {JAN}, pages = {65-72}, abstract = {

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

}, doi = {10.1111/j.1365-2672.2005.02754.x}, author = {Lale, Geetanjali and Jogdand, Vitthal V. and Gadre, Ramchandra V.} } @article { ISI:000236913600006, title = {Natural kaolinitic clay: a remarkable catalyst for highly regioselective chlorination of arenes with Cl-2 or SO2Cl2}, journal = {Indian Journal of Chemistry Section B-Organic Chemistry Including Medicinal Chemistry}, volume = {45}, number = {4}, year = {2006}, month = {APR}, pages = {972-975}, publisher = {NATL INST SCIENCE COMMUNICATION}, type = {Article}, address = {DR K S KRISHNAN MARG, NEW DELHI 110 012, INDIA}, abstract = {

Natural kaolinitic clay containing transition metals such as Fe and Ti in its lattice has been found to exhibit unusual regioselectivity in the liquid-phase chlorination of arenes with either Cl-2 or SO2Cl2 as the chlorinating agent para-Chlorinated products are predominant for most of the substrates with an exceptional case of ortho-selectivity for the chlorination of aniline.

}, keywords = {Aniline, chlorination, chlorine, ortho-chloroaniline, sulfuryl chloride}, issn = {0376-4699}, author = {Jayachandran, B. and Phukan, P. and Daniel, Thomas and Sudalai, A.} } @article { ISI:000242519200007, title = {Optically transparent magnetic nanocomposites based on encapsulated Fe3O4 nanoparticles in a sol-gel silica network}, journal = {Nanotechnology}, volume = {17}, number = {22}, year = {2006}, month = {NOV}, pages = {5565-5572}, publisher = {IOP PUBLISHING LTD}, type = {Article}, address = {DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND}, abstract = {

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

}, issn = {0957-4484}, doi = {10.1088/0957-4484/17/22/007}, author = {Thomas, Senoy and Sakthikumar, D. and Joy, Pattayil Alias and Yoshida, Yasuhiko and Anantharaman, Maliemadom R.} } @article { ISI: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:000241306300020, title = {Oxidation of ethyl benzene and diphenyl methane over ordered mesoporous M-MCM-41 (M = Ti, V, Cr): synthesis, characterization and structure-activity correlations}, journal = {Microporous and Mesoporous Materials}, volume = {95}, number = {1-3}, year = {2006}, month = {OCT}, pages = {154-163}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {diphenyl methane, Ethyl benzene, MCM-41, Oxidation}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2006.04.018}, author = {Jha, Ratnesh Kumar and Shylesh, S. and Bhoware, Shrikant S. and Singh, A. P.} } @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:000241949000010, title = {Role of ligands in the formation, phase stabilization, structural and magnetic properties of alpha-Fe2O3 nanoparticles}, journal = {Journal of Nanoparticle Research}, volume = {8}, number = {5}, year = {2006}, month = {OCT}, pages = {635-643}, publisher = {SPRINGER}, type = {Article}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

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

}, keywords = {Alkyl chain length, alpha-Fe2O3, Electrochemistry, magnetic properties, Nanoparticles, narrow size distribution}, issn = {1388-0764}, doi = {10.1007/s11051-005-9033-x}, author = {Joshi, Satyawati S. and Patil, Prajakta R. and Nimase, Madhav S. and Bakare, P. P.} } @article { ISI:000236922600002, title = {Room temperature synthesis of mesoporous aggregates of anatase TiO2 nanoparticles}, journal = {Materials Chemistry and Physics}, volume = {97}, number = {2-3}, year = {2006}, month = {JUN}, pages = {207-212}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

The controlled hydrolysis reaction of titanium tetrabutoxide in presence of acetic acid in isopropanol, i.e. in non-aqueous media was adopted in the present work for the synthesis of nanocrystalline titania followed by aging at ambient conditions for longer duration. The powder XRD shows that the as-dried precursor (without any aging) is non-crystalline in nature. However, room temperature aging for longer duration \> 120 days not only helped to develop crystallinity in TiO2 nanoparticles but also led to the formation of their self-assembly towards mesoporous aggregates creating sponge like TiO2 nano-structure having high surface area similar to 250m (2) g(-1)and narrow pore size distribution of 4-5 nm. TEM observations revealed the generation of spherical TiO2 nanoparticles (4-5 nm) assembled to form stable spongy scaffold having porous network structure with pore size 5-6 nm. Also, presence of a pronounced hysteresis loop in BET isotherm is indicative of a 3D-intersection network of the pores of size 4-5 nm. Further heat-treatment to the aged precursor at 400 degrees C/2 h in air modify pore network structure due to sintering of TiO2 particles as is observed in TEM studies and lowering thereby the surface area to 125 m(2) g(-1) (c) 2005 Elsevier B.V. All rights reserved.

}, keywords = {Microstructure, porous materials, sol-gel processing, titania}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2005.02.014}, author = {Deshpande, S. B. and Potdar, H. S. and Khollam, Y. B. and Patil, K. R. and Pasricha, R. and Jacob, Nalini E.} } @article { ISI:000238502400034, title = {Shape selective synthesis of long-chain linear alkyl benzene (LAB) with AIMCM-41/beta zeolite composite catalyst}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {253}, number = {1-2}, year = {2006}, month = {JUL}, pages = {239-244}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

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

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

}, keywords = {anisotropy constant, Magnetism, Nanoparticles, Superparamagnetism, YIG}, issn = {0304-8853}, doi = {10.1016/j.jmmm.2005.06.027}, author = {Rajendran, M. and Deka, Sasanka and Joy, Pattayil Alias and Bhattacharya, Asish K.} } @conference { ISI:000238125903326, title = {Surface characterization of diblock copolymers containing poly(ethylene oxide) and various hydrophobic moieties}, booktitle = {231st National Meeting of the American-Chemical-Society}, volume = {231}, year = {2006}, note = {231st National Meeting of the American-Chemical-Society, Atlanta, GA, MAR 26-30, 2006}, month = {MAR}, pages = {326-COLL}, publisher = {American-Chemical-Society}, organization = {American-Chemical-Society}, type = {Meeting Abstract}, address = {1155 16th ST, NW, Washington, DC 20036 USA}, issn = {0065-7727}, author = {Logan, Jennifer and Marcano, Kyle and Palaskar, Dnyaneshwar and Wadgaonkar, Prakash and Jost, Robert W. and Wudl, Fred and Baker, Shenda M.} } @article { ISI:000240242300001, title = {Syntheses and applications of C-2-symmetric chiral diols}, journal = {Tetrahedron-Asymmetry}, volume = {17}, number = {13}, year = {2006}, month = {AUG}, pages = {1901-1929}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2006.06.023}, author = {Bhowmick, Kartick C. and Joshi, Navalkishore N.} } @article { ISI:000242468700074, title = {Synthesis and characterization of cholesteric thermotropic liquid crystalline polyesters}, journal = {Journal of Applied Polymer Science}, volume = {103}, number = {2}, year = {2006}, month = {JAN}, pages = {1232-1237}, publisher = {WILEY-BLACKWELL}, type = {Article}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

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

}, keywords = {cholesteric liquid crystalline polymers (ChLCP), Differential scanning calorimetry (DSC), optical microscopy, solution polycondensation, Thermogravimetric analysis (TGA), viscosity}, issn = {0021-8995}, doi = {10.1002/app.24610}, author = {Jadhav, Sushilkumar A. and Chougule, Rahul R. and Shinde, Yogesh A. and Chavan, Nayaku} } @article { ISI:000241085200021, title = {Synthesis, characterization, and molecular modeling studies of novel polyurethanes based on 2,2 {\textquoteright}-[ethane-1,2-diylbis(nitrilomethylylidene)]diphenol and 2,2 {\textquoteright}-[hexane-1,6-diylbis(nitrilomethylylidene)]diphenol hard segments}, journal = {Journal of Polymer Science Part A-Polymer Chemistry}, volume = {44}, number = {20}, year = {2006}, month = {OCT}, pages = {6032-6046}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

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

}, keywords = {amorphous, hard segments, molecular dynamics, Morphology, polyurethanes, Schiff base containing polymers, Thermal properties}, issn = {0887-624X}, doi = {10.1002/pola.21686}, author = {Raghu, A. V. and Gadaginamath, G. S. and Jawalkar, S. S. and Halligudi, Shivaraj B. and Aminabhavi, T. A.} } @article {Bender, title = {Synthesis, characterization, X-ray structure and DNA photocleavage by cis-dichloro bis(diimine) Co(III) complexes}, journal = {Journal of Inorganic Biochemistry}, volume = {100}, number = {3}, year = {2006}, month = {MAR}, pages = {331-343}, publisher = {JOHN WILEY \& SONS LTD}, type = {Article}, address = {THE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W SUSSEX, ENGLAND}, keywords = {Acetic acid, acrylic acid, oxidative conversion of propane, rare earth-doped Mo-V-Sb catalysts}, issn = {0268-2575}, doi = {10.1016/j.jinorgbio.2005.11.022}, author = {Ghosh, Smita and Barve, A. C. and Kumbhar, A. A. and Kumbhar, A. S. and Puranik, Vedavati G. and Datar, P. A. and Sonawane, U. B. and Joshi, Rohini R.} } @article { ISI:000242887400110, title = {Tuning of the magnetostrictive properties of CoFe2O4 by Mn substitution for Co}, journal = {Journal of Applied Physics}, volume = {100}, number = {11}, year = {2006}, month = {DEC}, pages = {113911}, publisher = {AMER INST PHYSICS}, type = {Article}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {

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

}, issn = {0021-8979}, doi = {10.1063/1.2401648}, author = {Bhame, Shekhar D. and Joy, Pattayil Alias} } @article { ISI:000241854900005, title = {Viscoelastic and dielectric behavior of poly(1-butene)/multiwalled carbon nanotube nanocomposites}, journal = {Journal of Macromolecular Science Part B-Physics}, volume = {45}, number = {6}, year = {2006}, month = {NOV}, pages = {1053-1064}, publisher = {TAYLOR \& FRANCIS INC}, type = {Article}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {

Linear viscoelastic properties and dielectric behavior of poly(1-butene)/multiwalled carbon nanotube (MWCNT) nanocomposites were investigated. Dynamic mechanical analysis showed significant increase in storage modulus in the rubbery regime. The tan delta peak temperature remained constant; however, the peak intensity was lowered for the nanocomposites. In melt rheological studies the nanocomposites showed a shift in crossover frequency to the lower side, suggesting delayed relaxation of the molecular chains in the presence of MWCNT and this shift was found to depend on the content of MWCNT. The dielectric constant increased from 2.2 to 70 for the nanocomposite with 7 wt. \% MWCNT. The electrical conductivity increased significantly, from 10(-15) to 10(-3) S/cm. The results of rheology and dielectric studies indicate that a percolation network is formed that is responsible for the observed changes.

}, keywords = {Dielectric, MWCNT, poly(1-butene), viscoelastic}, issn = {0022-2348}, doi = {10.1080/00222340600929691}, author = {Wanjale, Santosh D. and Jog, Jyoti Prakash} } @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:000242511300022, title = {Adsorption of methanol on mesoporous SBA-15}, journal = {Materials Letter}, volume = {61}, number = {1}, year = {2007}, month = {JAN}, pages = {88-92}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {Adsorption, Electron microscopy, Methanol, SBA-15, Surfaces, thermal stability}, issn = {0167-577X}, doi = {10.1016/j.matlet.2006.04.012}, author = {Mirji, S. A. and Halligudi, Shivaraj B. and Mathew, Nevin T. and Jacob, Nalini E. and Patil, K. R. and Gaikwad, A. B.} } @article { ISI:000251722700028, title = {Assessing feasibility of polyarylate-clay nanocomposites towards improvement of gas selectivity}, journal = {Journal of Membrane Science}, volume = {306}, number = {1-2}, year = {2007}, month = {DEC}, pages = {277-286}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {Gas permeation, Nanocomposites, polyarylates, selectivity, solution intercalation}, issn = {0376-7388}, doi = {10.1016/j.memsci.2007.09.001}, author = {Bhole, Yogesh S. and Wanjale, Santosh D. and Kharul, Ulhas K. and Jog, Jyoti Prakash} } @article { ISI: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:000249949800020, title = {Catalytic performances of silicotungstic acid/zirconia supported SBA-15 in an esterification of benzyl alcohol with acetic acid}, journal = {Journal of Molecular Catalysis A-Chemical }, volume = {276 }, number = {1-2}, year = {2007}, month = {OCT}, pages = {150-157}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Liquid phase esterification of benzyl alcohol (BA) to benzyl acetate (Peach fragrance) with an acetic acid (AA) has been investigated with 12-silicotungstic acid supported on zirconia embedded inside SBA-15 (STA/ZrO2/SBA- 15) as the catalyst. Catalysts were unambiguously characterized by XRD, N-2 adsorption-desorption, FF-IR pyridine adsorption techniques and the total amount of acidity of different STA loaded catalysts was estimated by TPD of NH3. The optimization of reaction conditions of an esterification of BA with AA was performed with 15 wt.\% STA/22.4 wt.\% ZrO2/SBA-15 calcined at 1123 K by varying catalyst concentration (1-10 wt.\% of reaction mixture); temperature, 353-383 K and AA:BA molar ratio as 0.5-3. The 15 wt.\% STA/22.4 wt.\% ZrO2/SBA-15 calcined at 1123 K was found to have the highest acidity and more active in the reaction. Under the optimized reaction conditions, the 15 wt.\% STA/22.4 wt.\%ZrO2/SBA-15 calcined at 1123 K gave 59\% BA conversion with selectivity for benzyl acetate as high as 96\% within 2 h of reaction time. (c) 2007 Elsevier B.V. All rights reserved.

}, keywords = {12-silicotungstic acid, Benzyl acetate, Benzyl alcohol, Esterification, SBA-15}, issn = {1381-1169}, doi = {10.1016/j.molcata.2007.07.001}, author = {Sawant, Dhanashri P. and Vinu, A. and Justus, Josena and Srinivasu, P. and Halligudi, Shivaraj B.} } @article { ISI:000246341400004, title = {Cephalexin-mediated synthesis of quasi-spherical and anisotropic gold nanoparticles and their in situ capping by the antibiotic}, journal = {Journal of Physical Chemistry C }, volume = {111}, number = {19}, year = {2007}, month = {MAY}, pages = {6933-6938}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Here we report, for the first time, synthesis of gold nanostructures in aqueous medium by reducing gold ions using cephalexin, a potent broad-spectrum antibiotic, where the morphology of the gold nanoparticles is found to be dependent on the concentration of chloroauric acid. The characterization techniques indicate that particle surfaces are coated with the robust layer of the antibiotic making them stable for a long time. Thus, cephalexin acts as both the reducing and the capping agent. NMR and XPS analysis indicate that the sulfur moiety is responsible for the reduction and binding process.

}, issn = {1932-7447}, doi = {10.1021/jp067645r}, author = {Jagannathan, Ramya and Poddar, Pankaj and Prabhune, Asmita} } @article {sanjayan, title = {CO2 reforming of methane to syngas over highly active and stable supported CoOx (accompanied with MgO, ZrO2 or CeO2) catalysts}, journal = {Applied Catalysis A-General}, volume = {316}, number = {1}, year = {2007}, month = {JAN}, pages = {47-52}, publisher = {GEORG THIEME VERLAG KG}, type = {Article}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

{Catalytically inactive CoOx-MgO (calcined at 900 degrees C) becomes highly active and selective in the CO2 reforming of methane to syngas when it is deposited on a commercial low surface-area macro-porous silica-alumina support (SA-5205) or when CoOx is deposited on the support precoated with MgO. Both the supported CoOx and MgO containing catalysts (CoOx -MgO/SA-5205 and CoOx/MgO/SA-5205) show high methane conversion (\> 98\%) activity and H-2 selectivity (\> 94\%) and also high stability against carbon deposition [

}, keywords = {arylboronic acids, diarylmethylidenefluorene, dibromomethylidenefluorene, Pd-mediated coupling, Suzuki reaction}, issn = {0936-5214}, doi = { 10.1016/j.apcata.2006.09.016}, author = {Mondal, Kartick C. and Choudhary, Vasant R. and Joshi, Upendra A.} } @article { ISI:000244054900016, title = {Concise synthesis of beta-blockers (S)-metoprolol and (S)-betaxolol using hydrolytic kinetic resolution}, journal = {Tetrahedron}, volume = {63}, number = {8}, year = {2007}, month = {FEB}, pages = {1872-1876}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {beta-blockers, betaxolol, Hydrolytic kinetic resolution, metoprolol}, issn = {0040-4020}, doi = {10.1016/j.tet.2006.12.016}, author = {Muthukrishnan, Murugan and Garud, Dinesh R. and Joshi, Rohini R. and Joshi, Ramesh A.} } @article { ISI:000251733600003, title = {Controlled covalent functionalization of multiwalled carbon nanotubes using [4+2] cycloaddition of benzocyclobutenes}, journal = {Chemistry of Materials}, volume = {19}, number = {26}, year = {2007}, month = {DEC}, pages = {6370-6372}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, issn = {0897-4756}, doi = {10.1021/cm702470x}, author = {Sakellariou, Georgios and Ji, Haining and Mays, Jimmy W. and Hadjichristidis, Nikos and Baskaran, Durairaj} } @article { ISI:000249564600009, title = {Copper(II) ion exchanged A1SBA-15: a versatile catalyst for intermolecular hydroamination of terminal alkynes with aromatic amines}, journal = {Journal of Catalysis}, volume = {250}, number = {2}, year = {2007}, month = {SEP}, pages = {274-282}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

The hydroarnination reaction offers a very attractive route for the synthesis of alkylated amines and their derivatives with no byproduct formation. AISBA-15 was synthesized by isomorphous substitution of aluminum into the framework of SBA-15, which induces the Bronsted acid sites, and these were exchanged with metal ions such as Cu2+, Zn2+, and Pd2+. The catalysts were characterized by XRD, N-2-sOrption, SEM, TEM, acidity measurements by FT-IR pyridine adsorption, H-2-TPR, (27)AI MAS NMR, and Si-29 MAS NMR. Hydroamination of phenylacetylene (PhAc) with 2,4-xylidine has been used as a test reaction, which gave N-(1-phenylethylidene)-2,4-dimethylaniline with no byproduct formation. CuAlSBA-15 and CuAIMCM-41 showed around three times greater activity in hydroamination of PhAc compared with Cu-clay and Cu-beta, due to the moderate Lewis acidity of Cu2+ present in mesoporous supports. The performance of the CuAlSBA-15 was also determined with different alkynes and amines to evaluate the catalyst{\textquoteright}s general applicability in hydroamination reactions. (c) 2007 Elsevier Inc. All rights reserved.

}, keywords = {A1SBA-15, addition, alkyne, Amine, Copper catalyst, heterogeneous, hydroamination, ion exchange, Mesoporous}, issn = {0021-9517}, doi = {10.1016/j.jcat.2007.06.007}, author = {Shanbhag, Ganapati V. and Joseph, Trissa and Halligudi, Shivaraj B.} } @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:000245369300017, title = {Correlation between mobility enhancement and conformational change in polyaniline and its derivatives: polaron lattice formation}, journal = {Electrochimica Acta}, volume = {52}, number = {11}, year = {2007}, month = {MAR}, pages = {3615-3620}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Conformational changes in polyaniline, poly(methyl aniline), and poly(methoxyaniline) are studied in perchloric acid and acetonitrile by means of an in situ reflection technique with oxidation level as a parameter. Stretching of polymer chains leading to enhancement of specular reflection at the polymer-coated electrodes is found to be well correlated with the increase in carrier mobility. The concomitant change in mobility and chain conformation observed with the polyaniline family is explained in terms of the formation of polaron lattice at increased oxidation levels. (c) 2006 Elsevier Ltd. All rights reserved.

}, keywords = {Conformation, polyaniline, reflection, scattering : mobility}, issn = {0013-4686}, doi = {10.1016/j.electacta.2006.10.040}, author = {Harima, Yutaka and Ogawa, Fumiyuki and Patil, Rahul and Jiang, Xiaoqing} } @article { ISI:000251244900032, title = {Data-driven dynamic modeling and control of a surface aeration system}, journal = {Industrial \& Engineering Chemistry Research}, volume = {46}, number = {25}, year = {2007}, note = {Joint 6th International Symposium on Catalysis in Multiphase Reactors/5th International Symposium on Multifunctional Reactors (CAMURE-6/ISMR-5-), Pune, INDIA, JAN 14-17, 2007}, month = {DEC}, pages = {8607-8613}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

}, issn = {0888-5885}, doi = {10.1021/ie0700765}, author = {Gandhi, Ankit B. and Joshi, Jyeshtharaj B. and Jayaraman, Valadi K. and Kulkarni, Bhaskar D.} } @article { ISI:000250636200009, title = {Decomposition and/or hydrogenation of hydrogen peroxide over Pd/Al2O3 catalyst in aqueous medium: factors affecting the rate of H2O2 destruction in presence of hydrogen}, journal = {Applied Catalysis A-General}, volume = {332}, number = {1}, year = {2007}, month = {NOV}, pages = {70-78}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Hydrogen peroxide destruction by its decomposition and/or hydrogenation to water in the presence of H-2 over Pd(5 wt.\%)/Al2O3 catalyst in an aqueous reaction medium, similar to that used in the H-2-to-H2O2 oxidation, has been thoroughly investigated at different reaction conditions. The H2O2 destruction is strongly influenced by the oxidation state of Pd in the catalyst and also by the presence of different halide anions (viz. F-, Cl-, Br- and I-) in the acidic aqueous medium or in the catalyst, depending upon the concentration of halide anions. The cations associated with halide anions have, however, a little or no influence on the H2O2 destruction. The iodide anions strongly poisoned the catalyst, even at their very low concentration. The fluoride anions have only a small effect on the H2O2 destruction. The chloride or bromide anions drastically inhibit the rapid H2O2 decomposition, but promote the slower H2O2 hydrogenation. The H2O2 destruction reactions are strongly influenced by the halide anion and acid concentrations. The presence of acid (protons) plays a very important role in drastically reducing the H2O2 destruction, particularly in the presence of chloride anions. Both in the presence and absence of Cl- or Br- anions, the H2O2 destruction activity of the catalyst is markedly reduced because of the oxidation of Pd but it is drastically increased due to the presence of H-2. A plausible reaction mechanism for the rapid H2O2 decomposition and slower H2O2 hydrogenation reactions, prevailing under the different reaction conditions, has also been discussed. (C) 2007 Elsevier B.V. All rights reserved.

}, keywords = {decomposition of H2O2, halide anions as catalyst promoter or indicator, Hydrogen peroxide, hydrogenation of H2O2, Pd/Al2O3}, issn = {0926-860X}, doi = {10.1016/j.apeata.2007.08.004}, author = {Choudhary, Vasant R. and Samanta, Chanchal and Jana, Prabhas} } @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:000251763600015, title = {Development of support vector regression (SVR)-based correlation for prediction of overall gas hold-up in bubble column reactors for various gas-liquid systems}, journal = {Chemical Engineering Science}, volume = {62}, number = {24, SI}, year = {2007}, note = {8th International Conference on Gas-Liquid and Gas-Liquid-Solid Reactor Engineering, Indian Inst Technol Delhi, New Delhi, INDIA, DEC 16-19, 2007}, month = {DEC}, pages = {7078-7089}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {bubble column reactor, overall gas hold-up, support vector regression}, issn = {0009-2509}, doi = {10.1016/j.ces.2007.07.071}, author = {Gandhi, Ankit B. and Joshi, Jyeshtharaj B. and Jayaraman, Valadi K. and Kulkarni, Bhaskar D.} } @article { ISI:000244006000001, title = {Direct comparison of the aging and memory effects of magnetic nanoclusters and nanoparticles}, journal = {Solid State Communications}, volume = {141}, number = {6}, year = {2007}, month = {FEB}, pages = {307-310}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The magnetic characteristics of a dense magnetic nanoparticle system and a spin glass system consisting of magnetic nanoclusters are compared. Zero field cooled and field cooled magnetization measurements, including aging and memory experiments, of the nanoparticle and the magnetic cluster systems show similar characteristics, suggesting a common origin for the spin glass-type behavior of the magnetic nanoparticle and nanocluster systems. (C) 2006 Published by Elsevier Ltd.

}, keywords = {Magnetic nanoparticles, magnetic properties, spin glasses}, issn = {0038-1098}, doi = {10.1016/j.ssc.2006.11.015}, author = {Sankar, C. Raj and Vijayanand, S. and Verma, Seema and Joy, Pattayil Alias} } @article { ISI:000249542900010, title = {Direct oxidation of H-2 to H2O2 over Br and F-promoted Pd/Al2O3 in aqueous acidic medium: influence of the concentration of Br and F and the method of incorporation of the two halogens in the catalyst on their beneficial synergetic effect on the net H2O2}, journal = {Applied Catalysis A-General}, volume = {329}, year = {2007}, month = {OCT}, pages = {79-85}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Influence of the addition of F (0-1.1 mmol/g) in the pre-brominated Pd/Al2O3 (Br loading = 0.13 mmol/g) and also that of Br (0.13 mmol/g) in the pre-fluorinated Pd/Al2O3 (F loading = 0.53 mmol/g) on the net H2O2 formation in the H-2-to-H2O2 oxidation (with H-2/O-2 mole ratio of 1.0) over the halogenated catalysts in aqueous acidic (0.1 M H3PO4) medium have been investigated. In both the cases, the highest synergetic effect (resulting in the highest net H2O2 formation) produced by the addition of other halogen is observed at its optimum concentration (viz. 0.13 mmol Br/g in the fluorinated Pd/Al2O3 and 0.13 mmol F/g in the pre-brominated Pd/Al2O3). The beneficial synergetic effect of the two halogens is also found to be strongly influenced by the way of incorporation of the two halogens in the catalyst. The enhancement in the net rate of H2O2 formation due to the synergetic effect for the different methods of Pd/Al2O3 halogenation is in the following order: simultaneous bromination and fluorination \< first fluorination and then bromination \< first bromination and then fluorination. The fluorination (at optimum concentration of 0.13 mmol F/g) of the pre-brominated (0.13 mmol Br/g) Pd/Al2O3 led to the best catalyst for the H-2-to-H2O2 oxidation with 100\% H-2 conversion and 78\% H2O2 yield/selectivity. The destruction of H2O2 by its decomposition and/or hydrogenation over the halogenated catalysts has also been studied. (c) 2007 Published by Elsevier B.V.

}, keywords = {F and Br-promoted Pd/Al2O3, Hydrogen peroxide, oxidation of H-2-to-H2O2, synergetic effect of F and Br}, issn = {0926-860X}, doi = {10.1016/j.apcata.2007.06.024}, author = {Choudhary, Vasant R. and Jana, Prabhas} } @article { ISI:000251244900026, title = {Direct oxidation of hydrogen to hydrogen peroxide over Pd (or PdO)/Al2O3 in aqueous reaction medium: influence of different acids and halide anions in reaction medium on formation and destruction of H2O2}, 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 = {8566-8573}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Effects of different mineral acids (viz. H2SO4, H3PO4, HNO3, HCl, HBr, and HI), acid (H3PO4) concentration, different halide anions (viz. F-, Cl-, Br-, and I-), and halide anion concentration in aqueous reaction medium on the H2O2 formation (in H-2-to-H2O2 oxidation) and/or on the H2O2 destruction (by H2O2 decomposition and hydrogenation) activities of Pd (or PdO)/Al2O3 catalyst (at 300 K and atmospheric pressure) have been thoroughly investigated. Among the different halide anions, Br- anions are most effective for promoting the H2O2 formation and inhibiting the H2O2 destruction by both the H2O2 decomposition and/or hydrogenation. The cations associated with the halide anions, however, have only a little or no influence on both the H2O2 formation and destruction. The concentration of the different halide anions has a strong influence on the H-2 conversion and H2O2 formation and destruction activities of the Pd/Al2O3. The H2O2 formation activity in the presence of Br- or Cl- anions is highest at the optimum concentration of halide (about 1.0 mmol/dm(3)). it is also highest at the optimum concentration of phosphoric acid (between 0.1 and 0.3 mol/dm(3)). In general, the H2O2 formation is increased with decreasing the H2O2 destruction activity of the catalyst, indicating a close relationship between the two. Br- anions act as an excellent catalyst promoter for Pd/Al2O3 catalyst, but they show only a small promoting effect for PdO/Al2O3 catalyst. The next choice for halide promoter for Pd/Al2O3 catalyst is Cl- anions. F- and I- anions are, however, catalyst inhibitor and strong poison, respectively, for the H2O2 formation. At the same concentration, Br- anions are more effective than Cl- anions for inhibiting the H2O2 destruction reactions over Pd/Al2O3 Catalyst. For both halide promoters (Cl- and Br-), the net H2O2 formation is controlled by the H2O2 hydrogenation rather than by the H2O2 decomposition.

}, issn = {0888-5885}, doi = {10.1021/ie061653c}, author = {Choudhary, Vasant R. and Ingole, Yugesh V. and Samanta, Chanchal and Jana, Prabhas} } @article { ISI:000246157400009, title = {Effect of sparger design on the flow in a bubble column: symbolic analysis of LDA data}, journal = {Industrial \& Engineering Chemistry Research}, volume = {46}, number = {10}, year = {2007}, month = {MAY}, pages = {2996-3007}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

This paper aims at developing a methodology that helps in the characterization of the effects of a single point and multipoint sparger on the flow patterns in a bubble column reactor. The methodology uses the simultaneously measured instantaneous velocity-time data (two orthogonal velocity components) using LDA at different measurement locations. The data sets are transformed into their equivalent description in terms of polar coordinates, viz., resultant velocity vector and angle. This information is further transformed in terms of symbolic representation in a binary number format. The covariance matrices obtained from the binary data are analyzed for their eigenvalues, and the spectrum is used for the identification of the dominant, energy containing modes in the data. In the vicinity of the sparger, the nature of covariance matrix and the eigenvalue spectrum for the single point sparger (SPS) data was significantly different from that of the multipoint sparger (MPS). In the bulk region, for both types of spargers, the nature of the eigenvalues and the number of dominant modes is seen to be different from the near sparger region. In general, more numbers of eigenvalues are required to capture the total energy in the data for a multipoint sparger when compared to a single point sparger. This suggests a higher level of complexities existing due to the intricate hydrodynamics for the multipoint sparger. The possible use of this methodology for practical purposes, e.g., identification of malfunctioning of gas-liquid sparger reactors is discussed.

}, issn = {0888-5885}, doi = {10.1021/ie060778e}, author = {Kulkarni, A. A. and Deshpande, Suvarna S. and Joshi, J. B. and Kumar, V. Ravi and Kulkarni, B. D.} } @article { ISI:000242759500013, title = {Efficient N-arylation of amines catalyzed by Cu-Fe-hydrotalcite}, journal = {Catalysis Communications}, volume = {8}, number = {1}, year = {2007}, month = {JAN}, pages = {65-68}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {amines, Aryl halides, Cu-Fe-hydrotalcite, heterogeneous catalyst, N-arylation}, issn = {1566-7367}, doi = {10.1016/j.catcom.2006.05.030}, author = {Jadhav, Vinod H. and Dumbre, Deepa K. and Phapale, Vilas B. and Borate, Hanumant B. and Wakharkar, Radhika D.} } @article { ISI:000241912700017, title = {Electrochromic device (ECD) cell characterization on electron beam evaporated MoO3 films by intercalating/deintercalating the H+ ions}, journal = {Current Applied Physics}, volume = {7}, number = {1}, year = {2007}, month = {JAN}, pages = {76-86}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {coloration efficiency, electrochromic device cells, molybdenum oxide thin films, optical density, stoichiometry}, issn = {1567-1739}, doi = {10.1016/j.cap.2005.12.001}, author = {Sivakumar, R. and Gopinath, Chinnakonda S. and Jayachandran, M. and Sanjeeviraja, C.} } @article { ISI:000243492800021, title = {Enantiomeric separation of novel anticancer agent 5-hydroxy-3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-cyclopent-2-en- 1-one}, journal = {Journal of Chromatography A}, volume = {1138}, number = {1-2}, year = {2007}, month = {JAN}, pages = {184-189}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {Anticancer, column chromatography, diaryl cyclopentenone, diastereoisomers, enantioseparation, HPLC, Resolution}, issn = {0021-9673}, doi = {10.1016/j.chroma.2006.10.076}, author = {Shinde, Popat D. and Jadhav, Vinod H. and Borate, Hanumant B. and Bhide, Sunil R. and Sonawane, Kiran B. and Wakharkar, Radhika D.} } @article { 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 { ISI:000246431600023, title = {Enhanced permeability and dielectric constant of NiZn ferrite synthesized in nanocrystalline form by a combustion method}, journal = {Journal of the American Ceramic Society}, volume = {90}, number = {5}, year = {2007}, month = {MAY}, pages = {1494-1499}, publisher = {WILEY-BLACKWELL}, type = {Article}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

The performance parameters of Ni0.5Zn0.5Fe2O4, synthesized in the nanocrystalline form by an autocombustion method, have been investigated. The sample sintered at 1200 degrees C, with Bi2O3 as additive shows a very high value of initial permeability mu{\textquoteright}(i) of \> 400 at 1 MHz, with low loss. Similarly, a very high dielectric constant is obtained at lower frequencies. The results show that optimum magnetic and electrical properties can be achieved for the NiZn ferrite nanocrystalline powders synthesized by the present autocombustion method and sintered at a relatively lower temperature of 1200 degrees C when compared with a temperature of 1400 degrees C required for the materials synthesized by the conventional ceramic method.

}, issn = {0002-7820}, doi = {10.1111/j.1551-2916.2007.01560.x}, author = {Deka, Sasanka and Joy, Pattayil Alias} } @article { ISI:000243707500003, title = {Enhancement of the phase transformation temperature of gamma-Fe2O3 by Zn2+ doping}, journal = {Journal of Materials Chemistry}, volume = {17}, number = {5}, year = {2007}, month = {JAN}, pages = {453-456}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The phase transformation temperature of gamma-Fe2O3 to alpha-Fe2O3 is increased with Zn2+ doping and enhancement of the transition temperature by similar to 100 degrees C is obtained for doping of \>= 15 mol\% Zn in nanocrystalline gamma-Fe2O3 synthesized by an autocombustion method.

}, issn = {0959-9428}, doi = {10.1039/b616120k}, author = {Deka, Sasanka and Joy, Pattayil Alias} } @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.} } @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:000245291700016, title = {Finite size effects on the electrical properties of sol-gel synthesized CoFe2O4 powders: deviation from Maxwell-Wagner theory and evidence of surface polarization effects}, journal = {Journal of Physics D-Applied Physics}, volume = {40}, number = {6}, year = {2007}, month = {MAR}, pages = {1593-1602}, publisher = {IOP PUBLISHING LTD}, type = {Article}, address = {DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND}, abstract = {

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

}, issn = {0022-3727}, doi = {10.1088/0022-3727/40/6/001}, author = {George, Mathew and Nair, Swapna S. and Malini, K. A. and Joy, Pattayil Alias and Anantharaman, Maliemadom R.} } @article { ISI:000243831600013, title = {Formation from direct oxidation of H-2 and destruction by decomposition/hydrogenation of H2O2 over Pd/C catalyst in aqueous medium containing different acids and halide anions}, journal = {Applied Catalysis A-General}, volume = {317}, number = {2}, year = {2007}, month = {FEB}, pages = {234-243}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Direct oxidation of H-2 by O-2 to H2O2 and decomposition/hydrogenation of H2O2 (at 27 degrees C and atmospheric pressure) over Pd/C catalyst in an aqueous acidic reaction medium have been thoroughly investigated using different mineral acids (viz. 0.1 N H2SO4, H3PO4, H3BO3, HNO3, HCl, HBr or HI) and/or halide anions (viz. F-, Cl-, Br- or I-), covering their wide concentration range (0-24 mmol/dm(3)), in the reaction medium. In the absence of any externally added halide, appreciable H2O2 formation in the H2 oxidation occurred only when the medium contained HCl. However, the rates of H2O2 decomposition and hydrogenation are greatly reduced because of the presence of any acid; the influence on the H2O2 decomposition was, however, much larger for the halo acids. In the presence of acid (0.1 N H3PO4 or H2SO4), the H-2-to-H2O2 formation reaction is greatly enhanced by the externally added halide anions up to their optimum concentrations. However, above the optimum halide anion concentration, it is inhibited more than the H-2-to-water formation (parallel) reaction, causing a decrease in both the H2O2 yield and selectivity. Whereas, the H-2 conversion and H2O2 destruction activities of the catalyst are decreased continuously with increasing the halide anion (except F-) concentration. Among the halides, chloride is the best halide promoter for Pd/C catalyst in the H-2-to-H2O2 oxidation. At the optimum Cl-concentration (5.4 mmol/dm(3)), both the H-2 conversion and H2O2 yield are passed through a maximum and the H2O2 decomposition is greatly inhibited with increasing the phosphoric acid concentration. In the absence of either the chloride anions or the acid (or both) in the reaction medium, only a little or no H2O2 is formed in the H-2 oxidation and also the rate of H2O2 destruction is very fast, particularly in the presence of H-2; the rapid destruction of H2O2 is mainly due to its decomposition rather than its hydrogenation. The best H-2-to-H2O2 oxidation results are obtained at the optimum concentrations of both the acid and halide anions. In the presence of acid and chloride (or bromide) promoter, the H2O2 hydrogenation dominates the H2O2 destruction and hence the net H2O2 formation is mainly controlled by the H2O2 hydrogenation. (c) 2006 Published by Elsevier B.V.

}, keywords = {H2O2 decomposition, H2O2 hydrogenation, halide anion promoters, Hydrogen peroxide, oxidation of H-2-to-H2O2, Pd/C catalyst}, issn = {0926-860X}, doi = {10.1016/j.apcata.2006.10.022}, author = {Choudhary, Vasant R. and Samanta, Chanchal and Jana, Prabhas} } @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:000251200200005, title = {GaClx- or GaAlClx-grafted Si-MCM-41: highly active and moisture insensitive/stable catalyst for the acylation and benzylation of benzene, naphthalene and substituted benzenes}, journal = {Applied Catalysis A-General}, volume = {333}, number = {1}, year = {2007}, month = {DEC}, pages = {42-48}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

GaClx- and GaAlClx-grafted Si-MCM-41 catalysts were prepared by reacting anhydrous GaCl3 and mixed anhydrous GaCl3 and AlCl3, respectively, with the terminal hydroxyl groups of Si-MCM-41 (pore size: 2.5 nm) in a dry non-aqueous reaction medium (CCl4) under reflux. The catalysts showed high activity for both the acylation and benzylation (with benzoyl chloride and benzyl chloride, respectively) of benzene, toluene, p-xylene, cumene, mesitylene, anisole and naphthalene. Both the catalysts are moisture insensitive or less moisture sensitive; the presence of moisture has a beneficial effect in the acylation over both the catalysts. The catalytically active sites of the GaClx-grafted Si-MCM-41 are (-O-)(2)GaCl (i.e. partially chlorided Ga anchored to Si through -O- linkage) species and the equivalent sites of the GaAlClx-grafted Si-MCM-41 are (-O-)(2)Ga(or Al)Cl and (-O-)(3)Ga(or Al) species. The high acylation/benzylation activities of both the catalysts even in the presence of moisture are attributed to their redox properties (Ga3+ -\> Ga1+) rather than to their Lewis acid properties. After the grafting/chemical bonding, the grafted gallium chloride catalyst showed much higher acylation activity but lower benzylation activity than the physically deposited (on Si-MCM-41) or unsupported GaCl3. The GaAlClx-grafted Si-MCM-41 showed higher acylation activity than the GaClx-grafted Si-MCM-41, due to a synergetic effect of the Ga and Al species. However, the relative benzylation activity of the two catalysts showed strong dependence upon the presence or absence of electron donating group(s) and also upon the electron donating ability of the group(s) attached to the aromatic nucleus. (c) 2007 Elsevier B.V. All rights reserved.

}, keywords = {acylation benzylation, GaAlClx-grafted Si-MCM-41, GaClx-grafted Si-MCM-41, moisture insensitive}, issn = {0926-860X}, doi = {10.1016/j.apcata.2007.09.001}, author = {Choudhary, Vasant R. and Jha, Rani} } @article { ISI:000246754200022, title = {Generation of hydrogen peroxide via the selective reduction of oxygen by hydrazine sulfate over Br-promoted Pd/Al2O3 catalyst in an aqueous medium at ambient conditions}, journal = {Applied Catalysis A-General}, volume = {323}, year = {2007}, month = {APR}, pages = {202-209}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The in situ generation of H2O2 via the selective reduction of OZ by hydrazine sulfate (in an aqueous medium) has been thoroughly investigated over the Br-promoted Pd(or PdO)/Al2O3 catalyst. The influence of the following factors have been addressed in this study: (a) Br concentration (in the reaction medium or incorporated in the catalyst); (b) reaction conditions (viz. reaction time, temperature); (c) concentrations of reducing agent and phosphoric acid in the reaction medium. Decomposition of N2H4 (from NH4-H2SO4) and its reaction with H2O2 under similar reaction conditions (in the absence of O-2) have also been studied. H2O2, which is an intermediate product of the O-2 reduction, is involved in further consecutive reactions. It can be converted to water via its decomposition and/or reaction with the unconverted NZH(4). In the presence of Br promoter, the later (reaction with unconverted N2H4) is more dominant. Both the consecutive reactions are drastically retarded in the presence of protons and Br promoter. A plausible reaction mechanism has been proposed for illustrating the role of the protons and Br promoter in the selective formation of H2O2 in the O-2 reduction process. (C) 2007 Elsevier B.V. All rights reserved.

}, keywords = {brominated Pd/Al2O3 catalyst, hydrazine sulfate, Hydrogen peroxide, in situ H2O2 generation, oxygen reduction, Pd/Al2O3 catalyst}, issn = {0926-860X}, doi = {10.1016/j.apcata.2007.02.014}, author = {Choudhary, Vasant R. and Jana, Prabhas and Samanta, Chanchal} } @article { ISI:000250820000027, title = {Genetic diversity analysis of mango cultivars using inter simple sequence repeat markers}, journal = {Current Science}, volume = {93}, number = {8}, year = {2007}, month = {OCT}, pages = {1135-1141}, publisher = {CURRENT SCIENCE ASSOC}, type = {Article}, address = {C V RAMAN AVENUE, PO BOX 8005, BANGALORE 560 080, INDIA}, abstract = {

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

}, keywords = {DNA finger printing, inter simple sequence repeat, Mangifera indica, principle coordinate analysis}, issn = {0011-3891}, author = {Pandit, Sagar S. and Mitra, Sirsha Sribas and Giri, Ashok P. and Pujari, Keshav H. and Patil, Bhimarao P. and Jambhale, Narayan D. and Gupta, Vidya S.} } @article { ISI:000246157400015, title = {Geometrical solution to the sharkskin instability}, journal = {Industrial \& Engineering Chemistry Research}, volume = {46}, number = {10}, year = {2007}, month = {MAY}, pages = {3048-3056}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

}, issn = {0888-5885}, doi = {10.1021/ie0610391}, author = {Pol, Harshawardhan V. and Joshi, Yogesh M. and Tapadia, Prashant S. and Lele, Ashish K. and Mashelkar, Raghunath Anant} } @conference { ISI:000252140200050, title = {Granular support vector machine based method for prediction of solubility of proteins on overexpression in Escherichia coli}, booktitle = {Pattern Recognition and Machine Intelligence, Proceedings}, series = {LECTURE NOTES IN COMPUTER SCIENCE}, volume = {4815}, year = {2007}, note = {2nd International Conference on Pattern Recognition and Machine Intelligence, Calcutta, INDIA, DEC 18-22, 2007}, month = {DEC}, pages = {406-415}, publisher = {Indian Stat Inst, Machine Intelligence Univ; ISI Ctr Soft Comp Res; Int Assoc Pattern Recognit; Int Ctr Pure \& Appl Math; Web Intelligence Consortium; Yahoo India Res \& Dev; Philips Res Asia}, organization = {Indian Stat Inst, Machine Intelligence Univ; ISI Ctr Soft Comp Res; Int Assoc Pattern Recognit; Int Ctr Pure \& Appl Math; Web Intelligence Consortium; Yahoo India Res \& Dev; Philips Res Asia}, address = {Heidelberger Platz 3, D-14197 Berlin, Germany}, abstract = {

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

}, isbn = {978-3-540-77045-9}, issn = {0302-9743}, author = {Kumar, Pankaj and Jayaraman, Valadi K. and Kulkarni, B. D.}, editor = {Ghosh, A. and De, R. K. and Pal, S. K.} } @article { ISI:000246157400035, title = {Hydrogenation of hydrogen peroxide over palladium/carbon in aqueous acidic medium containing different halide anions under static/flowing hydrogen}, journal = {Industrial \& Engineering Chemistry Research}, volume = {46}, number = {10}, year = {2007}, month = {MAY}, pages = {3237-3242}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Kinetics of the hydrogenation of hydrogen peroxide (at 278 and/or 300 K) over Pd(5 wt\%)/carbon in aqueous medium with or without containing acid or different halide anions (F-, Cl-, Br-, or I-) under static H-2 (i.e. batchwise) or flowing H-2 (i.e. semi-batchwise) at atmospheric pressure have been thoroughly studied. In the absence of protons or halide anions and also in the presence of F- anions, a very rapid decomposition of H2O2 (H2O2 -\> H2O + 0.5O(2)) predominates over the H2O2 hydrogenation (H2O2 + H-2 -\> 2H(2)O). However, in the presence of both the protons and Cl- or Br- anions, the H2O2 conversion occurs mainly by the hydrogenation reaction. The hydrogenation is found to be a zero-order reaction with respect to the H2O2 concentration, and its activation energy and frequency factor are strongly influenced by the halide anions. The hydrogenation is found to be more and more inhibited with increasing halide (Cl- or Br-) anion concentration. The cations associated with the halide anions have, however, only a very little influence on the hydrogenation. Iodide anions act as a very strong catalyst poison for the hydrogenation. In the presence of acid, the hydrogenation is very strongly influenced by the different halides, but, in the presence of halide anions (5.4 mmol/dm(3)), it is very mildly influenced by the different mineral acids (except HI). In the absence of protons, the Cl- and Br- anions are ineffective for inhibiting the rapid H2O2 decomposition. A role played by protons and halide anions for drastically inhibiting the rapid H2O2 decomposition is discussed.

}, issn = {0888-5885}, doi = {10.1021/ie0608408}, author = {Choudhary, Vasant R. and Samanta, Chanchal and Jana, Prabhas} } @article { ISI:000250256700004, title = {In situ generation of hydrogen peroxide from reaction of O-2 with hydroxylamine from hydroxylammonium salt in neutral aqueous or non-aqueous medium using reusable Pd/Al2O3 catalyst}, journal = {Catalysis Communications}, volume = {8}, number = {11}, year = {2007}, month = {NOV}, pages = {1578-1582}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

In situ generation of H2O2 with high yield can be accomplished by reacting 02 with NH2OH from hydroxylammonium salt [NH2OH.HCl or (NH2OH)(2) . H2SO4] in a neutral aqueous medium using a reusable heterogeneous Pd (1.0 wt\%)/Al2O3 catalyst, even at low temperature (10 degrees C), with the formation of harmless by-products (viz. N-2 and water). The presence of KCl or KBr in the medium has beneficial effect. The H2O2 generation is strongly influenced by the pH of medium, reaction period and temperature; best results are obtained at the optimum pH and reaction medium. (c) 2007 Elsevier B.V. All rights reserved.

}, keywords = {Hydrogen peroxide, hydroxylamine, Hydroxylammonium salt, in situ H2O2 generation, oxygen, Pd/AlO3 catalyst}, issn = {1566-7367}, doi = {10.1016/j.catcom.2007.01.003}, author = {Choudhary, Vasant R. and Jana, Prabhas} } @article { ISI:000250169800037, title = {Influence of film structure on mobilities of charge carriers in conducting polymers}, journal = {Electrochimica Acta}, volume = {52}, number = {28}, year = {2007}, month = {NOV}, pages = {8088-8095}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Two sorts of poly(3-hexylthiophene) (PHT) films with the same chemical compositions were prepared, and their electrochemical, spectroscopic, and transport properties were studied with a special interest in a possible influence of film structure on mobilities of charge carriers. One of the PHT films was electrochemically synthesized using 3-hexylthiophene as a monomer (as-grown film) and the other was obtained by dissolving the as-grown film in chloroform and then casting the polymer solution (cast film). A clear difference was observed in the mobility versus doping level plot between the two sorts of PHT films, demonstrating that the difference is caused only by a distinction in film structure. An initial decreasing feature of the mobility plot observed for the cast films was accounted for in terms of swelling of the films at an early stage of doping. (C) 2007 Elsevier Ltd. All rights reserved.

}, keywords = {Doping, electrosynthesis, mobility, poly(3-hexylthiophene), swelling}, issn = {0013-4686}, doi = {10.1016/j.electacta.2007.07.007}, author = {Harima, Yutaka and Jiang, Xiaoqing and Patil, Rahul and Komaguchi, Kenji and Mizota, Haruo} } @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:000252511300009, title = {Low temperature synthesis of magnetite and maghemite nanoparticles}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {7}, number = {12}, year = {2007}, month = {DEC}, pages = {4294-4302}, publisher = {AMER SCIENTIFIC PUBLISHERS}, type = {Article}, address = {26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USA}, abstract = {

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

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

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

}, keywords = {auxin pulse, coco-peat, grape, micropropagation, plantlet survival}, issn = {0972-8538}, author = {Bhushan, Indu and Parshad, Rajinder and Qazi, G. N. and Ingavle, Ganesh C. and Jamalpure, Trupti M. and Rajan, C. R. and Ponrathnam, Surendra and Gupta, V. K.} } @article { ISI: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:000246869200003, title = {New technique to study kinetics of chain conformation in polyaniline films}, journal = {Polymer Journal}, volume = {39}, number = {4}, year = {2007}, month = {FEB}, pages = {296-297}, publisher = {SOC POLYMER SCIENCE JAPAN}, type = {Article}, address = {TSUKIJI DAISAN NAGAOKA BLDG, 2-4-2 TSUKIJI, CHUO-KU, TOKYO, 104, JAPAN}, keywords = {Conformation, kinetics, laser, polyaniline, reflection}, issn = {0032-3896}, doi = {10.1295/polymj.PJ2006188}, author = {Harima, Yutaka and Kishimoto, Kazuya and Ogawa, Fumiyuki and Jiang, Xiaoqing and Patil, Rahul} } @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:000250085300004, title = {One-step preparation of nanosized Ag-PdCo-powder and its alloy formation at low temperature}, journal = {Synthesis and Reactivity in Inorganic Metal-Organic and Nano-Metal Chemistry}, volume = {37}, number = {7}, year = {2007}, month = {SEP}, pages = {531-539}, publisher = {TAYLOR \& FRANCIS INC}, type = {Article}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {

Nano-sized silver-palladium co-powder has been synthesized from silver nitrate-palladium chloride by wet chemical method. The present experimental conditions are applied for the first time for Ag-Pd co-powders wherein sodium formaldehyde sulfoxylate (SFS) has been used as an external reducing agent to simultaneously reduce respective metal salts. SFS reduces the metal salts at room temperature thus prevents formation of bigger particles of the respective metals in co-powder. Powder X-ray diffraction measurements ( XRD) and Transmission electron microscopy ( TEM) suggest the formation of nano-sized Ag-Pd co-powder with particle diameter in the range of about 25 nm. SEM shows that the powder morphology changes with temperature. Heat treatment of 90: 10 (Ag:Pd) composition showed shift in XRD peaks indicating alloy formation of Ag/Pd at lower temperature. Thick-films generated by use of the co-powder resulted in Ag/Pd alloy at about 500 degrees C as confirmed by the XRD. Thermal analysis showed that Ag/Pd co-powders initially gain the weight due to oxidation followed by the weight loss.

}, keywords = {alloy, Chemical synthesis, nano-powder, noble metal, Transition Metal}, issn = {1553-3174}, doi = {10.1080/15533170701563707}, author = {Khanna, P. K. and Singh, N. and Kulkarni, D. and Marimuthu, R. and Charan, Shobhit and Patil, K. R. and Jain, G. H.} } @article {42571, title = {PET-SWNT nanocomposites through ultrasound assisted dissolution-evaporation}, journal = {European Polymer Journal}, volume = {43}, year = {2007}, month = {JUN}, pages = {2279-2285}, type = {Article}, abstract = {

Poly(ethylene terephthalate) (PET) based nanocomposites have been prepared with single walled carbon nanotubes (SWNTs) through an ultrasound assisted dissolution-evaporation method. Differential scanning calorimetry studies showed that SWNTs nucleate crystallization in PET at weight fractions as low as 0.3\%, as the nanocomposite melt crystallized during cooling at temperature 24 degrees C higher than neat PET of identical molecular weight. Isothermal crystallization studies also revealed that SWNTs significantly accelerate the crystallization process. Mechanical properties of the PET-SWNT nanocomposites improved as compared to neat PET indicating the effective reinforcement provided by nanotubes in the polymer matrix. Electrical conductivity measurements on the nanocomposite films showed that SWNTs at concentrations exceeding 1 wt\% in the PET matrix result in electrical percolation. Comparison of crystallization, conductivity and transmission electron microscopy studies revealed that ultrasound assisted dissolution-evaporation method enables more effective dispersion of SWNTs in the PET matrix as compared to the melt compounding method. (c) 2007 Elsevier Ltd. All rights reserved.

}, doi = {10.1016/j.eurpolymj.2007.03.020}, author = {Anoop, Anand K. and Agarwal, U. S. and Nisal, Anuya and Joseph, Rani} } @article { ISI:000248145100016, title = {Preparation of enantiopure trans-1,2-cyclohexanediol and trans-2-aminocyclohexanol}, journal = {Synthetic Communications}, volume = {37}, number = {10}, year = {2007}, month = {MAY}, pages = {1727-1733}, publisher = {TAYLOR \& FRANCIS INC}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {

Trans-1,2-cyclohexanediol and trans-2-aminocycloxexanol are useful chiral auxiliaries. Simple chemical resolution procedures for these molecules are presented.

}, keywords = {chemical resolution, chiral auxiliaries, epoxide-cleavage}, issn = {0039-7911}, doi = {10.1080/00397910701266075}, author = {Chatterjee, A. and Sasikumar, M. and Joshi, Navalkishore N.} } @article { ISI:000245961800014, title = {Reduction of oxygen by hydroxylammonium salt or hydroxylamine over supported Au nanoparticles for in situ generation of hydrogen peroxide in aqueous or non-aqueous medium}, journal = {Catalysis Communications}, volume = {8}, number = {5}, year = {2007}, month = {MAY}, pages = {811-816}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {Au Nanoparticles, Au/Gd2O3, Au/La2O3, Au/MgO, Hydrogen peroxide, hydroxylamine, hydroxylammonium salts, in situ H2O2 generation}, issn = {1566-7367}, doi = {10.1016/j.catcom.2006.08.041}, author = {Choudhary, Vasant R. and Jana, Prabhas and Bhargava, Suresh Kumar} } @article { ISI:000244666100011, title = {Solvent-free selective oxidation of benzyl alcohol by molecular oxygen over uranium oxide supported nano-gold catalyst for the production of chlorine-free benzaldehyde}, journal = {Green Chemistry}, volume = {9}, number = {3}, year = {2007}, month = {JAN}, pages = {267-272}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

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

}, issn = {1463-9262}, doi = {10.1039/b608304h}, author = {Choudhary, Vasant R. and Jha, Rani and Jana, Prabhas} } @article { ISI:000243821700012, title = {Structural evolutions of hydrothermally prepared mesostructured MCM-48 silica using differently manufactured amorphous silica powders}, journal = {Journal of Non-Crystalline Solids}, volume = {353}, number = {2}, year = {2007}, month = {FEB}, pages = {194-199}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {long-range order, micelles, scanning electron microscopy, silica, silicates, sol-gels (xerogels), X-ray diffraction}, issn = {0022-3093}, doi = {10.1016/j.jnoncrysol.2006.10.005}, author = {Taralkar, U. S. and Jha, Ratnesh Kumar and Joshi, P. N.} } @article { ISI:000244765100003, title = {Studies on gas sensing performance of pure and modified barium strontium titanate thick film resistors}, journal = {Bulletin of Materials Science}, volume = {30}, number = {1}, year = {2007}, month = {FEB}, pages = {9-17}, publisher = {INDIAN ACADEMY SCIENCES}, type = {Article}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

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

}, keywords = {(Ba0.87Sr0.13)TiO3 thick films, ammonia gas sensor, II2S gas sensor, selectivity, sensitivity}, issn = {0250-4707}, doi = {10.1007/s12034-007-0003-z}, author = {Jain, G. H. and Patil, L. A. and Patil, P. P. and Mulik, Uttam P. and Patil, K. R.} } @article { ISI:000250026200022, title = {Supported copper oxide as a highly active/selective catalyst for the epoxidation of styrene by TBHP to styrene oxide}, journal = {Catalysis Communications}, volume = {8}, number = {10}, year = {2007}, month = {OCT}, pages = {1556-1560}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {CuO/Al2O3, CuO/Ga2O3, CuO/In2O3, Cuo/Si-MCM-41, CuO/SiO2, epoxidation, styrene, Styrene oxide, tertiary butyl hydroperoxide}, issn = {1566-7367}, doi = {10.1016/j.catcom.2007.01.005}, author = {Choudhary, Vasant R. and Jha, Rani and Chaudhari, Nitin K. and Jana, Prabhas} } @article { ISI:000243765100017, title = {Swelling and mechanical behavior of modified poly(vinyl alcohol)/laponite nanocomposite membranes}, journal = {Journal of Applied Polymer Science}, volume = {103}, number = {5}, year = {2007}, month = {MAR}, pages = {2896-2903}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

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

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

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

}, keywords = {H-2-to-H2O2 oxidation, H2O2 decomposition H2O2 hydrogenation, halogen promoter, Hydrogen peroxide, Pd/Al2O3, Pd/C, synergetic effect}, issn = {0021-9517}, doi = {10.1016/j.jcat.2006.12.012}, author = {Choudhary, Vasant R. and Jana, Prabhas} } @article { ISI:000250399300012, title = {Synthesis and characterization of NCL-5, NCL-6 and NCL-7: new zeolites enriched with polymorph B of the BEA family}, journal = {Microporous and Mesoporous Materials}, volume = {105}, number = {1-2}, year = {2007}, month = {SEP}, pages = {82-88}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

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

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

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

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

}, issn = {0022-2623}, doi = {10.1021/jm060938o}, author = {Gurjar, Mukund K. and Wakharkar, Radhika D. and Singh, Anu T. and Jaggi, Manu and Borate, Hanumant B. and Shinde, Popat D. and Verma, Ritu and Rajendran, Praveen and Dutt, Sarjana and Singh, Gurvinder and Sanna, Vinod K. and Singh, Manoj K. and Srivastava, Sanjay K. and Mahajan, Vishal A. and Jadhav, Vinod H. and Dutta, Kakali and Krishnan, Karthik and Chaudhary, Anika and Agarwal, Shiv K. and Mukherjee, Rama and Burman, Anand C.} } @article { ISI:000246042800003, title = {Synthesis and magnetic properties of Mn doped ZnO nanowires}, journal = {Solid State Communications}, volume = {142}, number = {4}, year = {2007}, month = {APR}, pages = {190-194}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {Combustion synthesis, diluted magnetic semiconductor, magnetic properties, Mn doped ZnO}, issn = {0038-1098}, doi = {10.1016/j.ssc.2007.02.017}, author = {Deka, Sasanka and Joy, Pattayil Alias} } @article { ISI: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 {40}, title = {Toluene alkylation with methanol to p-xylene over heteropoly acids supported by clay}, journal = {Journal of Natural Gas Chemistry}, volume = {16}, number = {1}, year = {2007}, month = {MAR}, pages = {42-45}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {co-crystalline, p-xylene, toluene alkylation, ZSM-12, ZSM-5}, issn = {1003-9953}, doi = {10.1016/S1003-9953(07)60024-3}, author = {Bokade, Vijay V. and Deshpande, Suvarna S. and Patil, R. and Jain, S. and Yadav, G. D.} } @article { ISI:000249567000008, title = {Transport study on as-grown and cast films of electrogenerated poly(3-hexylthiophene)}, journal = {Materials Letter}, volume = {61}, number = {25}, year = {2007}, month = {OCT}, pages = {4687-4689}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Two kinds of poly(3-hexylthiophene) films with identical chemical compositions are prepared. One of the films is obtained by electropolymerization of 3-hexylthiophene (as-grown film) and the other is prepared by casting a solution dissolving the as-grown film (cast film). A clear difference is found in the mobility vs. doping level plots between the as-grown and cast films and its reason is discussed. (c) 2007 Elsevier B.V. All rights reserved.

}, keywords = {mobility, poly(3-hexylthiophene), swelling, thin film, transport mechanism}, issn = {0167-577X}, doi = {10.1016/j.matlet.2007.03.010}, author = {Jiang, Xiaoqing and Harima, Yutaka and Patil, Rahul} } @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:000248002800006, title = {Unprecedented two-dimensional polymeric [Zn(OOC-C6H4-COO)(2)](2_)(n)[+H3N-(CH2)(3)-NH(3])(+)n system bearing one-dimensional chain of zinc(II) bis(phthalate) dianions held by propane-1,3-diammonium cations: crystal structure, thermal and fluorescent pr}, journal = {Solid State Sciences}, volume = {9}, number = {6}, year = {2007}, month = {JUN}, pages = {491-495}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A novel zinc(II) phthalate compound, [Zn{C6H4(COO)(2)}(2)](n)(2-)[NH3-(CH2)(3)-NH3](n)(2+), 1 Which contains four different phthalate moieties coordinated to the Zn(II) ion through one each of their carboxyl ate moieties in a eta(1)-form and each phthalate moiety acting as a bridging unit with an overall tetrahedral geometry around the metal ion has been prepared and structurally characterized. The structure is unique in the sense that the dianionic moieties [Zn{C6H4(COO)(2)}(2)](2-) form an infinite one-dimensional network composed of 14-membered cyclic units interconnected in a way that they are disposed alternatively in almost perpendicular planes. The dicationic [NH3-(CH2)(3)-NH3](2+) units are seen to hold these one-dimensional chains by strong coulombic and hydrogen bond interaction, resulting in an infinite two-dimensional layered structure of 1. The compound is thermally stable up to 250 degrees C. Above this temperature it loses one equivalent of phthalate moiety along with the diammonium unit to yield Zn(II) phthalate. The thermodynamic and kinetic parameters associated with this process could be evaluated using Coats-Redfern equation which shows the activation energy Ea for the process as 305.0 kJ mol(-1), the frequency factor A as 1.49 x 10(11) s(-1) and the entropy change Delta S as -35.90 JK(-1) mol(-1). Fluorescent emission properties of 1 was studied by exciting the compound at 380 nm and also at 322 nm which were found to be the two lambda(max) corresponding to absorptions of the molecule. Interestingly, the compound gave same type of emission spectra showing a maximum around 444 nm on exciting at these two different wavelengths, indicating that the molecule comes to the first excited state from the higher excited state by a fast non-radiative process before it exhibits singlet emission to come to the ground state. (C) 2007 Elsevier Masson SAS. All rights reserved.

}, keywords = {1, 3-diammonium, cyclic chain, fluorescent emission, layered structure, propane, zinc(II) bis(phthalate) dianion, zinc-phthatate}, issn = {1293-2558}, doi = {10.1016/j.solidstatesciences.2007.04.009}, author = {Padmanabhan, A. and Joseph, K. C. and Puranik, Vedavati G. and Huang, Xiaoying and Li, Jing} } @article { ISI:000248860300003, title = {Using pseudo amino acid composition to predict protein subnuclear localization: approached with PSSM}, journal = {Pattern Recognition Letters}, volume = {28}, number = {13}, year = {2007}, month = {OCT}, pages = {1610-1615}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Identification of Nuclear protein localization assumes significance as it can provide in depth insight for genome regulation and function annotation of novel proteins. A multiclass SVM classifier with various input features was employed for nuclear protein compartment identification. The input features include factor solution scores and evolutionary information (position specific scoring matrix (PSSM) score) apart from conventional dipeptide composition and pseudo amino acid composition. All the SVM classifiers with different sets of input features performed better than the previously available prediction classifiers. The jack-knife success rate thus obtained on the benchmark dataset constructed by Shen and Chou [Shen, H.B., Chou, K.C., 2005, Predicting protein subnuclear location with optimized evidence-theoretic K-nearest classifier and pseudo amino acid composition. Biochem. Biophys. Res. Commun. 337, 752-756] is 71.23\%, indicating that the novel pseudo amino acid composition approach with PSSM and SVM classifier is very promising and may at least play a complimentary role to the existing methods. (c) 2007 Elsevier B.V. All rights reserved.

}, keywords = {factor solution score, multiclass SVM, nuclear protein, PSSM, subnuclear localization}, issn = {0167-8655}, doi = {10.1016/j.patrec.2007.04.001}, author = {Mundra, Piyushkumar and Kumar, Madhan and Kumar, K. Krishna and Jayaraman, Valadi K. and Kulkarni, Bhaskar D.} } @article { ISI:000250986500008, title = {Using recurrence quantification analysis descriptors for protein sequence classification with support vector machines}, journal = {Journal of Biomolecular Structure \& Dynamics}, volume = {25}, number = {3}, year = {2007}, month = {DEC}, pages = {289-297}, publisher = {ADENINE PRESS}, type = {Article}, address = {2066 CENTRAL AVE, SCHENECTADY, NY 12304 USA}, abstract = {

In this work, we integrate a non-linear signal analysis method, recurrence quantification analysis (RQA), with the well-known machine-learning algorithm, support vector machines for the binary classification of protein sequences. Two different classification problems were selected, discriminating between aggregating and non-aggregating proteins and mostly disordered and completely ordered proteins, respectively. It has also been shown that classification performance of SVM models improve on selection of the most informative RQA descriptors as SVM input features.

}, issn = {0739-1102}, author = {Mitra, Joydeep and Mundra, Piyushkumar and Kulkarni, B. D. and Jayaraman, Valadi K.} } @article { ISI:000256232900024, title = {Bacteria-mediated precursor-dependent biosynthesis of superparamagnetic iron oxide and iron sulfide nanoparticles}, journal = {Langmuir}, volume = {24}, number = {11}, year = {2008}, month = {JUN}, pages = {5787-5794}, publisher = {AMER CHEMICAL SOC}, type = {Article}, chapter = { }, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

}, issn = {0743-7463}, doi = {10.1021/la704019p}, author = {Bharde, Atul A. and Parikh, Rasesh Y. and Baidakova, Marina and Jouen, Samuel and Hannoyer, Beatrice and Enoki, Toshiaki and Bhagavatula L. V. Prasad and Shouche, Yogesh S. and Ogale, Satishchandra B. and Sastry, Murali} } @proceedings { ISI:000257623000146, title = {Blob-spring model for the dynamics of ring polymer in obstacle environment}, volume = {1027}, year = {2008}, note = {15th International Congress on Rheology/80th Annual Meeting of the Society-of-Rheology, Monterey, CA, AUG 03-08, 2008}, month = {AUG}, pages = {445-447}, publisher = {Soc Rheol}, address = {2 Huntington Quadrangle, STE 1no1, Melville, NY 11747-4501 USA}, abstract = {

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

}, keywords = {fractal polymer dynamics, linear viscoelasticity, ring polymer dynamics}, isbn = {978-0-7354-0549-3}, issn = {0094-243X}, author = {Lele, Ashish K. and Iyer, Balaji V. S. and Juvekar, Vinay A.}, editor = {Co, A. and Leal, L. G. and Colby, R. H. and Giacomin, A. J.} } @article { ISI:000257737200004, title = {Carbon nano horn and bovine serum albumin hierarchical composite: towards bio-friendly superhydrophobic protein film surfaces}, journal = {Journal of Materials Chemistry}, volume = {18}, number = {29}, year = {2008}, month = {JUN}, pages = {3422-3425}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Highly hydrophilic glass substrates when coated with films of carbon nano horns dispersed in the ubiquitous protein bovine serum albumin display hydrophobic characteristics. Incidentally both the materials used to create the final hydrophobic surface are known to be highly bio-compatible. The features observed are accredited to the replication of the micro and nanoscale hierarchical structures of carbon nano horns in the final film composite.

}, issn = {0959-9428}, doi = {10.1039/b806777e}, author = {Jadhav, Anil D. and Ogale, Satishchandra B. and Bhagavatula L. V. Prasad} } @article { ISI:000256378800020, title = {Co-catalyzed mild and chemoselective reduction of phenyl esters with NaBH(4): a practical synthesis of (R)-tolterodine}, journal = {Tetrahedron Letters}, volume = {49}, number = {23}, year = {2008}, month = {JUN}, pages = {3790-3793}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

CoCl(2) catalyzes effectively the chemoselective reduction of phenyl carboxylic esters to the corresponding saturated alcohols in high yields using NaBH(4) at ambient conditions. By employing this methodology, the synthesis of (R)-tolterodine, a muscarinic receptor antagonist, has been achieved in high yield and optical purity. (C) 2008 Elsevier Ltd. All rights reserved.

}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2008.04.007}, author = {Jagdale, Arun R. and Sudalai, Arumugam} } @article { ISI:000259450800027, title = {Continuous flow nitration of salicylic acid}, journal = {Organic Process Research \& Development}, volume = {12}, number = {5}, year = {2008}, month = {SEP}, pages = {995-1000}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Continuous flow nitration of salicylic acid using HNO3/AcOH was studied in the SS316 tubular microreactor. At specific reaction conditions, complete conversion of the reactant was achieved in less than 7 min. It yielded only mononitro derivatives with a higher selectivity of 5-nitrosalicylic acid. Presence of the lower amount of acetic acid in the reaction mixture was seen to be detrimental, leading to precipitation of the desired product (5-nitrosalicylic acid). Reaction at higher temperatures yielded byproducts. The continuous mode operation using the system comprising the microdevices was demonstrated for 2 h with consistent composition at the outlet.

}, issn = {1083-6160}, doi = {10.1021/op800112u}, author = {Kulkarni, Amol A. and Nivangune, Nayana T. and Kalyani, Vishwanath S. and Joshi, Ramesh A. and Joshi, Rohini R.} } @article { ISI:000252413800017, title = {Copolyester nanocomposites based on carbon nanotubes: reinforcement effect of carbon nanotubes on viscoelastic and dielectric properties of nanocomposites}, journal = {Polymer International}, volume = {57}, number = {1}, year = {2008}, month = {JAN}, pages = {114-123}, publisher = {WILEY-BLACKWELL}, type = {Article}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Nanocomposites based on an amorphous copolyester, poly(ethylene glycol-co-cyclohexane-1,4-dimethanol terephthalate) and carbon nanotubes were fabricated using a simple melt processing technique. The reinforcement effect of carbon nanotubes in the copolyester was investigated experimentally using different approaches based on dynamic mechanical analysis, theology and dielectric analysis. The nanocomposites show a mechanical reinforcement effect with significant increase in the stiffness especially in the rubbery regime with increasing nanotube content. An increase in T-g and a decrease in damping are seen, which are derived from the presence of a percolating superstructure of the filler. Rheological experiments show an increase in storage modulus up to four orders of magnitude. Viscolelastic characterization shows that the percolation threshold is at 3 wt\% of nanotubes. Dielectric relaxation spectroscopy confirms the presence of this percolating structure. We conclude that the responses of both rheological and electrical properties are different, although both are related to the formation of a percolating network superstructure of the filler. (c) 2007 Society of Chemical Industry.

}, keywords = {Carbon nanotubes, dielectric analysis, nanocomposites., reinforcement, viscoelastic properties}, issn = {0959-8103}, doi = {10.1002/pi.2325}, author = {Kalgaonkar, Rajendra A. and Jog, Jyoti Prakash} } @article { ISI:000257838400007, title = {Cu(OTf)(2) catalyzed Biginelli type condensation of aldehydes, beta-keto esters and carbamates: synthesis of 3,4-dihydro[1,3]oxazin-2-ones}, journal = {Indian Journal of Chemistry Section B-Organic Chemistry including Medicinal Chemistry}, volume = {47}, number = {7}, year = {2008}, month = {JUL}, pages = {1091-1095}, publisher = {COUNCIL SCIENTIFIC \& INDUSTRIAL RES}, type = {Article}, address = {ANUSANDHAN BHAWAN, 2 RAFI MARG, NEW DELHI, 110001, INDIA}, abstract = {

Cu(OTf)(2) catalyzes effectively a new multicomponent reaction comprising aldehydes, beta-ketoester and methy carbamate in acetonitrile to afford substituted 3,4-dihydro[1,3]oxazin-2-ones in 60-82\% yields. These compounds have been found to show inhibition activity against HL-60 cancer cell.

}, keywords = {aldehydes, Catalysts, Copper, Multicomponent reaction}, issn = {0376-4699}, author = {Jagdale, Arun R. and Paraskar, Abhimanyu S. and Sudalai, Arumugam} } @article { ISI:000263686300008, title = {Dielectric relaxations in PVDF/BaTiO3 nanocomposites}, journal = {Express Polymer Letters}, volume = {2}, number = {4}, year = {2008}, month = {APR}, pages = {294-301}, publisher = {BUDAPEST UNIV TECHNOL \& ECON}, type = {Article}, address = {DEPT POLYMER ENG, MUEGYETEM RKP 3, BUDAPEST, H-1111, HUNGARY}, abstract = {

The present work aims at the study of molecular relaxations in PVDF/BaTiO3 nanocomposites using broadband dielectric spectroscopy. The nanocomposites of PVDF with BaTiO3 ( 10-30\% by wt\%) are prepared using simple melt mixing method. In dielectric permittivity study, two relaxation processes are identified corresponding to the crystalline, glass transition in the PVDF/BaTiO3 nanocomposites. The peaks shift to higher frequencies as the temperature is increased. Electric modulus formalism is used to analyze the dielectric relaxations to overcome the conductivity effects at low frequencies. In M {\textquoteleft}{\textquoteright} spectra two peaks are observed only at high temperature and low frequency whereas a single relaxation peak appears at low temperatures. The single relaxation peak appearing at low temperatures is the alpha(c) relaxation attributed to crystalline chain relaxation in PVDF and the second relaxation peak which appears only at high temperatures and at a frequency lower than alpha(c) relaxation is identified as MWS relaxation. The temperature dependence of alpha(c) relaxation and MWS relaxation follows Arrhenius type behavior.

}, keywords = {dielectric spectroscopy, Interfacial polarization, MWS relaxation, Nanocomposites}, issn = {1788-618X}, doi = {10.3144/expresspolymlett.2008.35}, author = {Chanmal, Chetan and Jog, Jyoti Prakash} } @article { ISI:000261558700024, title = {Digestive duet: midgut digestive proteinases of manduca sexta ingesting nicotiana attenuata with manipulated trypsin proteinase inhibitor expression}, journal = {Plos One}, volume = {3}, number = {4}, year = {2008}, month = {APR}, pages = {e2008}, publisher = {PUBLIC LIBRARY SCIENCE}, type = {Article}, address = {185 BERRY ST, STE 1300, SAN FRANCISCO, CA 94107 USA}, abstract = {

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

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

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

}, keywords = {Hydrogen peroxide, oxidation of H(2) to H(2)O(2), Pd/Al(2)O(3), Pd/C}, issn = {1011-372X}, doi = {10.1007/s10562-008-9482-9}, author = {Choudhary, Vasant R. and Jana, Prabhas and Bhargava, Suresh Kumar} } @article { ISI:000254979800018, title = {Direct oxidation of H-2 to H2O2 over different supported PdO catalysts in aqueous acidic medium: Influence of the reduction, calcination temperature and support of the catalyst on its net H2O2 formation activity}, journal = {Catalysis Communications}, volume = {9}, number = {7}, year = {2008}, month = {APR}, pages = {1624-1629}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Effects of the catalyst reduction (by hydrazine), calcination temperature (400-800 degrees C) and support (viz. Al2O3, SiO2, CeO2, ZrO2, HP or HM) on the performance of supported PdO (2.5 wt\%) catalyst in the H-2-to-H2O2 oxidation (with H-2:O-2 = 1: 1) in an aqueous acidic (0.1 M H3PO4) medium under ambient conditions have been investigated. All the supported PdO catalysts showed lower H2 conversion activity, but higher H2O2 selectivity, as compared to their reduced counter parts. The catalyst performance for the net H2O2 formation is strongly influenced by both the support and calcination temperature of the supported PdO catalysts. The catalysts calcined at 400 degrees C showed better performance. Among the catalysts, PdO/Al2O3 catalyst (calcined at 400 degrees C) showed the best performance (17.0\% H2O2 yield) in the H-2-to-H2O2 oxidation. The influence of the calcination temperature of PdO/Al2O3 catalyst on its H2O2 decomposition and hydrogenation activities has also been investigated. Both the H2O2 decomposition and hydrogenation activities increased with increasing the calcination temperature. (C) 2008 Elsevier B.V. All rights reserved.

}, keywords = {Hydrogen peroxide, oxidation of H-2 to H2O2, supported PdO catalysts}, issn = {1566-7367}, doi = {10.1016/j.catcom.2008.01.012}, author = {Choudhary, Vasant R. and Jana, Prabhas} } @article { ISI:000259104700018, title = {Direct oxidation of H-2 to H2O2 over PdO/Al2O3 catalysts in aqueous acidic medium: influence on H2O2 formation of Pd loading, calcination temperature and reduction of catalyst and presence of halide anions}, journal = {Catalysis Communications}, volume = {9}, number = {14}, year = {2008}, month = {AUG}, pages = {2371-2375}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Effects of the Pd loading (0.2-10 wt\%), calcination temperature (400-900 degrees C) and reduction of PdO/Al2O3 on its performance in the H-2-to-H2O2 oxidation (with H-2/O-2 = 1:1) in an aqueous 0.1 M H3PO4 medium, in the absence and presence of different halide anions, under ambient conditions have been investigated. The effect of calcination temperature on the H2O2 formation varied depending upon the Pd loading. The influence of the different halide anions was found to depend strongly on the nature of halide anion (F-, Cl-, Br- or I-) and the oxidation state of Pd and its loading in the catalyst. (C) 2008 Elsevier B.V. All rights reserved.

}, keywords = {halide catalyst promoters, Hydrogen peroxide, oxidation of H-2 to H2O2, Pd/Al2O3, PdO/Al2O3}, issn = {1566-7367}, doi = {10.1016/j.catcom.2008.05.034}, author = {Choudhary, Vasant R. and Jana, Prabhas} } @article { ISI:000260255800065, title = {Divergent nanostructures from identical ingredients: unique amphiphilic micelle template for polyaniline nanofibers, tubes, rods, and spheres}, journal = {Macromolecules}, volume = {41}, number = {20}, year = {2008}, month = {OCT}, pages = {7706-7715}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Here, we report a unique soft templating approach based oil all in-built amphiphilic azobenze-nesulfonic acid for tuning various types of polyaniline nanomaterials Such as fibers, rods, spheres, and tubes. The dopant molecule is freely soluble in water, and DLS measurements Of the resultant Solution revealed that it forms spherical micelles of diameter similar to 4.29 nm. The addition of aniline induces self-organization in the dopant micelles which produce micrometer-sized cylindrical aggregates or layerlike assemblies depending upon the aniline/dopant composition in the feed. In the emulsion route. the oxidation of these cylindrical or layerlike micelle aggregates produce nanofibers and nanotubes, respectively. The dilution of thick emulsion microaggregates led to the formation Of uniformly distributed small 175 nm aggregated micelles. which template for the nanorods (dilution route). Alternatively, the dopant micelles form spherical shape aggregates with oxidizing agent ammonium persulfate (APS) in water. Aniline molecules diffuse through the organic/aqueous interface and get absorbed at these spherical aggregates, and subsequent chemical oxidation produces exclusively polyaniline nanospheres (interfacial route). The mechanism of the polyaniline nanomaterials formation was investigated by dynamic light scattering (DLS) and high-resolution transmission electron microscopy (TEM). DLS studies of the polymerization mixtures in water evident for the formation of micrometer range aggregates. TEM analysis confirmed the shape of the template as cylindrical, cylindrical + spherical, and spherical geometry for the complexes of dopant with aniline and APS in the emulsion, dilution, and interfacial routes, respectively. The amphiphilic nature of the dopant solubilizes the nanomaterials in water and organic solvents, and the optical properties of nanomaterials were studied in various solvents by UV-vis spectroscopy. The wide-angle X-ray diffraction Studies confirmed the appearance of a new peak at lower angle (d = 13.6 angstrom) corresponding to the highly crystalline and ordered polyaniline nanomaterials. The solid-state properties of the nanomaterials were found to he highly dependent on the size and shape of polymerization templates employed for the synthesis.

}, issn = {0024-9297}, doi = {10.1021/ma801090f}, author = {Anilkumar, P. and Jayakannan, M.} } @article { ISI:000256410700035, title = {Effect of sintering conditions and microstructure on the magnetostrictive properties of cobalt ferrite}, journal = {Journal of the American Ceramic Society}, volume = {91}, number = {6}, year = {2008}, month = {JUN}, pages = {1976-1980}, publisher = {BLACKWELL PUBLISHING}, type = {Article}, address = {9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND}, abstract = {

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

}, issn = {0002-7820}, doi = {10.1111/j.1551-2916.2008.02367.x}, author = {Bhame, Shekhar D. and Joy, Pattayil Alias} } @article { ISI:000256086600009, title = {Effect of TDZ and 2, 4-D on peanut somatic embryogenesis and in vitro bud development}, journal = {Plant Cell Tissue and Organ Culture}, volume = {94}, number = {1}, year = {2008}, month = {JUL}, pages = {85-90}, publisher = {SPRINGER}, type = {Article}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

Failure of peanut somatic embryos to convert into plantlets is attributed to the abnormal development of the plumule. Thidiazuron (TDZ) was effective in the conversion of peanut somatic embryos to plantlets by triggering morphogenetic activity in the abnormal plumules of the rooted somatic embryos. The present study aimed to induce normal embryo differentiation by culturing the embryogenic masses in embryo development medium containing 2,4-D and various concentrations of TDZ. Although this was not achieved due to restricted somatic embryo development in the presence of TDZ, bud-like projections appeared in the embryogenic masses when these were cultured in media containing combinations of 2,4-D and TDZ. These projections developed into buds, which subsequently formed shoots and plantlets. The response varied with the concentration and exposure of TDZ. At lower concentrations, the buds appeared in a defined row in the equatorial region of the explant, and with extended incubation, more and more buds appeared in rows alongside the initial row. Induction of multiple buds in a defined row in this specific site (equatorial region) suggested the presence of potent cells around this region. At higher concentrations, these projections appeared in large numbers spread over the whole upper part of the embryogenic mass starting from the equatorial region. The ability of embryogenic mass to convert into organogenic mass and to produce large number of organogenic buds provides an excellent system for basic studies and for the genetic transformation of peanut.

}, keywords = {Arachis hypogaea, embyogenic mass, somatic embryogenesis, thidiazuron}, issn = {0167-6857}, doi = {10.1007/s11240-008-9390-0}, author = {Joshi, Madhumita and Sujatha, K. and Hazra, Sulekha} } @article { ISI:000260843200008, title = {Efficacy of 4-methyl-7-hydroxy coumarin derivatives against vectors aedes aegypti and culex quinquefasciatus}, journal = {Indian Journal of Experimental Biology}, volume = {46}, number = {11}, year = {2008}, month = {NOV}, pages = {788-792}, publisher = {NATL INST SCIENCE COMMUNICATION}, type = {Article}, address = {DR K S KRISHNAN MARG, NEW DELHI 110 012, INDIA}, abstract = {

4-Methyl-7-hydroxy coumarin is considered as a lead molecule as a biopesticide. Its mono bromo and tribromo derivatives were synthesized. Two more derivatives were synthesized by acylation. Compound 1 (3.6,8-tribromo-7-hydroxy-4-methyl-chromen-2-one) was found to be the most potent against IV(th) instar larvae of C. quinquefasciatus and A. aegypti the LC(50) being 1.49 and 2.23 ppm respectively. It showed 100\% larval mortality at 25 ppm against A. aegypti and at 10 ppm against C. quinquefasciatus. Compounds 1 and 2 (3,6,8-tribromo-7-hydroxy-4-methyl-chromen-2{\textquoteright}-oxo-2H-chromen-7-yl acetate) showed remarkable ovicidal activity. Significant reduction of 80-85\%, hatching of eggs of both mosquito species was observed at the highest dose of 100 ppm. The hatched larvae showed 100\% mortality in the successive instars. Compounds 3 and 4 (3-bromo-7-hydroxy-4-methyl-chromen-2-one and 3-bromo-4-methyl-2{\textquoteright}-oxo-2H-chromen-7-yl acetate) showed moderate activity against both mosquito species.

}, keywords = {4-Methyl-7-hydroxy coumarin, Aedes aegypti, Culex quinquefasciatus, Larval mortality, Ovicidal activity}, issn = {0019-5189}, author = {Deshmukh, Madhavi and Pawar, Pushpa and Joseph, Mary P. and Phalgune, Usha and Kashalkar, Rajashree and Deshpande, Nirmala R.} } @article { ISI:000257231200057, title = {Enhanced field emission from hexagonal rhodium nanostructures}, journal = {Applied Physics Letters}, volume = {92}, number = {25}, year = {2008}, month = {JUN}, pages = {253106}, publisher = {AMER INST PHYSICS}, type = {Article}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {

Shape selective synthesis of nanostructured Rh hexagons has been demonstrated with the help of a modified chemical vapor deposition using rhodium acetate. An ultralow threshold field of 0.72 V/mu m is observed to generate a field emission current density of 4 x 10(-3) mu A/cm(2). The high enhancement factor (9325) indicates that the origin of electron emission is from nanostructured features. The smaller size of emitting area, excellent current density, and stability over a period of more than 3 h are promising characteristics for the development of electron sources. (C) 2008 American Institute of Physics.

}, issn = {0003-6951}, doi = {10.1063/1.2943657}, author = {Sathe, Bhaskar R. and Kakade, Bhalchandra A. and Mulla, Imtiaz S. and Pillai, Vijayamohanan K. and Late, Dattatray J. and More, Mahendra A. and Joag, Dilip S.} } @article { ISI:000254416300010, title = {Enhanced shape anisotropy and magneto-optical birefringence by high energy ball milling in NixFe1-xFe2O4 ferrofluids}, journal = {Journal of Magnetism and Magnetic Materials}, volume = {320}, number = {6}, year = {2008}, month = {MAR}, pages = {815-820}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Ferrofluids belonging to the series NixFe1-xFe2O4 were synthesised by two different procedures-one by standard co-precipitation techniques, the other by co-precipitation for synthesis of particles and dispersion aided by high-energy ball milling with a view to understand the effect of strain and size anisotropy on the magneto-optical properties of ferrofluids. The birefringence measurements were carried out using a standard ellipsometer. The birefringence signal obtained for chemically synthesised samples was satisfactorily fitted to the standard second Langevin function. The ball-milled ferrofluids showed a deviation and their birefringence was enhanced by an order. This large enhancement in the birefringence value cannot be attributed to the increase in grain size of the samples, considering that the grain sizes of sample synthesised by both modes are comparable; instead, it can be attributed to the lattice strain-induced shape anisotropy(oblation) arising from the high-energy ball-milling process. Thus magnetic-optical (MO) signals can be tuned by ball-milling process, which can find potential applications. (C) 2007 Elsevier B.V. All rights reserved.

}, keywords = {birefringence, Co-precipitation, ferrofluid, HEBM}, issn = {0304-8853}, doi = {10.1016/j.jmmm.2007.08.032}, author = {Nair, Swapna S. and Xavier, Francis and Joy, Pattayil Alias and Kulkarni, S. D. and Anantharaman, Maliemadom R.} } @article { ISI:000253366100013, title = {Factors influencing the in situ generation of hydrogen peroxide from the reduction of oxygen by hydroxylamine from hydroxylammonium sulfate over Pd/alumina}, journal = {Applied Catalysis A-General}, volume = {335}, number = {1}, year = {2008}, month = {FEB}, pages = {95-102}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Influence of the concentration of bromide (KBr) promoter, reaction period, temperature, catalyst loading and initial concentration of hydroxylammonium sulfate on the formation of H2O2 due to the reaction between hydroxylamine from the hydroxylammonium salt and molecular oxygen over Pd (1 wt\%)/Al2O3 catalyst in a neutral aqueous medium at close to the ambient conditions has been investigated. Effect of pH and temperature on the destruction of H2O2, Occurring in the consecutive reactions, over the catalyst in the presence or absence of bromide promoter and hydroxylamine has also been studied. In the absence of O-2, the conversion of hydroxylamine by its decomposition over the catalyst increases sharply with increasing the pH, particularly above the pH of 7.0; at or below the pH of 7.0, it is quite small. The H2O2 destruction increases markedly with increasing the pH of medium and reaction temperature but it is found to decrease in the presence of hydroxylamine. For the highest net H2O2 formation, not only the optimum pH (7.0) of reaction medium but also the optimum other reaction conditions (viz. bromide promoter concentration, reaction period, temperature or catalyst loading) are necessary. The reaction path and mechanism for the generation of H2O2 have also been suggested. (C) 2007 Elsevier B.V. All rights reserved.

}, keywords = {H2O2 destruction, Hydrogen peroxide, hydroxylamine, Hydroxylammonium sulfate, Pd/Al2O3 catalyst, reduction of O-2}, issn = {0926-860X}, doi = {10.1016/j.apcata.2007.11.015}, author = {Choudhary, Vasant R. and Jana, Prabhas} } @article { ISI:000251708300041, title = {Feasibility studies and dynamics of catalytic liquid phase esterification reactions in a micro plant}, journal = {Chemical Engineering Journal}, volume = {135}, number = {1}, year = {2008}, note = {9th International Conference on Microreaction Technology, Berlin, GERMANY, SEP 06-08, 2006}, month = {JAN}, pages = {S270-S275}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

We present a new micro reactor concept which is suitable for investigations of heterogeneously catalyzed liquid phase reactions. In the set-up two reactants are mixed in a commercially available interdigital micro mixer. The outlet of the micro mixer is connected to a modular micro reactor that consists of stacked plates. Each plate contains a milled meandering channel filled with catalyst beads. By using a variable number of plates the residence time can be manipulated and thus adjusted for a specific task. The synthesis of butyl acetate is considered as a model reaction since it has been investigated in detail in conventional reaction systems. In a first step, some experimental results of the heterogeneously catalyzed reaction are presented. In the second part, the set-up is operated as a chromatographic reactor. Dynamic behaviour is investigated applying the frontal analysis mode and the elution chromatography mode. (c) 2007 Elsevier B.V. All rights reserved.

}, keywords = {chromatographic reactor, heterogeneous catalysis, integrated process, modular micro reactor}, issn = {1385-8947}, doi = {10.1016/j.cej.2007.07.024}, author = {Kulkarni, A. A. and Zeyer, K. -P. and Jacobs, T. and Kaspereit, M. and Kienle, Achim} } @article { ISI:000253961400025, title = {GaAlCl(x)-grafted Mont.K-10 clay: highly active and stable solid catalyst for the friedel-crafts type benzylation and acylation reactions}, journal = {Catalysis Communications}, volume = {9}, number = {6}, year = {2008}, month = {MAR}, pages = {1101-1105}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A liquid phase reaction of anhydrous GaCl(3) and AlCl(3) with the surface hydroxyl groups (with HCl evolution) of Mont. K-10 clay in dry CCL(4) under reflux resulted in a novel GaAlCl(x),-grafted Mont.K-10 catalyst [with Cl/(Ga + Al) = 1]. The catalyst showed high activity and stability in the Freidel-Crafts type benzylation and benzoylation (by benzyl chloride and benzoyl chloride, respectively) of benzene, naphthalene and substituted benzenes, even in the presence of moisture. It also showed good activity for the benzoylation of nitrobenzene (i.e. even in the presence of strong electron withdrawing group, like nitro group, attached to the benzene ring). The catalytically active surface species in the catalyst are -(O)(2)-Ga(or Al)Cl. (c) 2007 Elsevier B.V. All rights reserved.

}, keywords = {benzoylation of aromatics, benzylation of aromatics, GaAlCl(x)-grafted Mont.K-10}, issn = {1566-7367}, doi = {10.1016/j.catcom.2007.10.014}, author = {Choudhary, Vasant R. and Jha, Rani} } @article { ISI:000254872600028, title = {Heteropoly acid encapsulated SBA-15/TiO(2) nanocomposites and their unusual performance in acid-catalysed organic transformations}, journal = {Chemistry-A European Journal}, volume = {14}, number = {10}, year = {2008}, month = {FEB}, pages = {3200-3212}, publisher = {WILEY-BLACKWELL}, type = {Article}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {

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

}, keywords = {Bronsted acids, mesoporous materials, nanoreactors, nanotechnology, supported catalysts}, issn = {0947-6539}, doi = {10.1002/chem.200701562}, author = {Sawant, Dhanashri P. and Justus, Josena and Balasubramanian, Veerappan V. and Ariga, Katsuhiko and Srinivasu, Pavuluri and Velmathi, Sivan and Halligudi, Shivappa B. and Vinu, Ajayan} } @article { ISI: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:000254979800027, title = {Highly efficient and chemo selective catalyst system for the synthesis of blossom orange fragrance and flavoring compounds}, journal = {Catalysis Communications}, volume = {9}, number = {7}, year = {2008}, month = {APR}, pages = {1671-1675}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {Acetal, acylal, Silicotungstic acid, tungsten oxide, tungstophosphoric acid, Zirconia}, issn = {1566-7367}, doi = {10.1016/j.catcom.2008.01.025}, author = {Justus, Josena and Vinu, Ajayan and Devassy, Biju M. and Balasubramanian, Veerappan V. and Bohringer, Walter and Fletcher, Jack C. Q. and Halligudi, Shivaraj B.} } @article { ISI:000260776600040, title = {Hydrazine based facile synthesis and ordered assembly of metal nanoparticles (Au, Ag) on a bacterial surface layer protein template}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {8}, number = {7}, year = {2008}, month = {JUL}, pages = {3565-3569}, publisher = {AMER SCIENTIFIC PUBLISHERS}, type = {Article}, address = {26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USA}, abstract = {

An efficient and facile procedure is developed for concurrent in situ synthesis and ordered assembly of metal nanoparticles on a periodic two dimensional protein array. The S-layer protein of Bacillus subtilis exhibiting uniform pore size is used as template. Synthesis of gold and silver nanoparticles anchoring on the pores of S-layer is achieved by chemical reduction of respective metal salt laden protein template. Transmission electron microscopy reveals formation of well ordered and separated gold and silver nanoparticles with an average diameter of 6 +/- 1 nm and 4 +/- 1 nm, respectively. The periodic arrangement of nanoparticles is dictated by the native structure of S-layer protein array as the nanoparticle locations are found to be correlated to the nanosized pores of the crystalline S-layer array.

}, keywords = {Bacteria, Metal Nanoparticles, synthesis}, issn = {1533-4880}, doi = {10.1166/jnn.2008.135}, author = {Puranik, Sarang S. and Joshi, Hrushikesh M. and Ogale, S. B. and Paknikar, K. M.} } @article {42592, title = {Hydrogen-bonding-induced conformational change from J to H aggregate in novel highly fluorescent liquid-crystalline perylenebisimides}, journal = {Chemistry of Materials}, volume = {20}, year = {2008}, month = {DEC}, pages = {169{\textendash}181}, type = {Article}, abstract = {

A series of highly fluorescent liquid-crystalline perylenebisimide molecules having amide or ester linkage and end-capped by phenyl, monododecyloxy phenyl, or tridodecyloxy phenyl units have been synthesized and fully characterized. The amide-functionalized series self-organized to form H type aggregates regardless of their end-capping in organic solvents like tetrahydrofuran (THF), toluene, and dichloromethane. On the other hand, only the monododecyloxy phenyl end-capped molecule in the ester series showed a tendency to self-organize with a typical J type aggregation in toluene. In both series, the highest aggregation tendency was shown by the one having monododecyloxy phenyl end-capping, with the transition temperature from aggregated to molecularly dissolved species occurring at 60 {\textdegree}C for the amide and 50 {\textdegree}C for the ester molecule. At higher concentrations in toluene, the fluorescence spectra of the monododecyloxy phenyl and tridodecyloxy phenyl terminal-substituted amide derivatives showed the formation of a new peak corresponding to excimer emission at 670 nm. Thin drop cast films of the perylenebisimide ester and amide series gave only excimer emission \~{}670 nm upon excitation. Thermal analysis using differential scanning calorimetry (DSC), polarized light microscopy (PLM), and powder X-ray diffraction measurements were utilized to study the liquid-crystalline (LC) characteristics of the molecules. Scanning electron micrograph (SEM) of thin drop-cast samples that were annealed in toluene showed the formation of supramolecular rods several micrometers in length, especially for the amide derivatives. The ester derivative, on the other hand, showed a leaflike morphology thus differentiating it from the amide series, which have both hydrogen bonding and π-π interactions to support self-organization.

}, doi = {10.1021/cm702497y}, author = {Jancy, B. and Asha, S. K.} } @article { ISI:000258722100083, title = {Hydroxyl-functionalized polyaniline nanospheres: tracing molecular interactions at the nanosurface via vitamin C sensing}, journal = {Langmuir}, volume = {24}, number = {17}, year = {2008}, month = {SEP}, pages = {9754-9762}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Here, we report a synthesis of novel polyaniline nanospheres bearing mono- and bishydroxyl functional groups were to trace the molecular interactions at the nanosurfaces through vitamin C sensing. Two new aniline monomers synthesized via a tailor-made approach and polymerized to produce soluble and uniform polyaniline nanospheres. The structures of the monomers and polymers were characterized by NMR, FT-IR, and MS techniques, and the morphology of the nanomaterials was analyzed by SEM and TEM. The mechanistic aspects of the nanomaterial formations were analyzed by FT-IR and dynamic light scattering techniques. These studies revealed that the hydroxyl-functionalized monomers have strong hydrogen bonding at the monomer level and form spherical aggregates in water, which are templates for the polyaniline nanospheres 600 +/- 100 nm in size. A controlled synthesis was also carried out using aniline hydrochloride as an unsubstituted counterpart, which yields polyaniline nanofibers. WXRD analysis confirmed the presence of a sharp peak at lower angle at 2 theta = 7.3 degrees (d-spacing of 13.4 angstrom) in hydroxyl-substituted nanospheres with respect to enhancement of solid-state ordered crystalline domains, whereas unsubstituted nanofibers were found to be highly amorphous. Vitamin C was employed as an analyte to trace the molecular interaction at the nanosphere surface and Study the influence of nanosurface functionalization on the sensing ability of biomolecules. The bishydroxyl-functionalized polyaniline nanospheres were found to show efficient molecular interactions toward vitamin C, whereas nanospheres with a monohydroxyl group or unsubstituted nanofibers failed as sensing materials. In a nut shell, in the present investigation, for the first time, we have proved the importance of surface functionalization of polyaniline nanomaterial, exclusively nanospheres, using hydroxyl groups for studying the molecular interactions at the nanosurfaces with biomolecules such as vitamin C.

}, issn = {0743-7463}, doi = {10.1021/la801128j}, author = {Anilkumar, P. and Jayakannan, M.} } @article { ISI:000260976900021, title = {Identification and characterization of flow structures in chemical process equipment using multiresolution techniques}, journal = {Chemical Engineering Science}, volume = {63}, number = {21}, year = {2008}, month = {NOV}, pages = {5330-5346}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Planar information of velocity from 2D particle image velocimetry (PIV) and large eddy simulation (LES) data have been studied using multiresolution wavelet transform (WT) formalisms, i.e., discrete and continuous WT. Identification of dominant energy containing structures with their characterization in terms of fractal spectra have been carried out for industrially important equipment exhibiting turbulent behavior. These include annular centrifugal contactor, jet loop reactor, ultrasound reactor, channel flow, stirred tank and bubble column reactor. The characterization of their dynamics based on denoising the data and studying the local energy along the WT scales show sensitive variation and this helps in identifying the size and shape of structures. A dependency is seen between mixing time and the higher order moments of length scale distribution, viz., skewness and kurtosis and a generalized correlation has been built up for important types of equipment and associated flow parameters. The correlation is not only based on the knowledge of reactor geometry and operating conditions but also on the flow structures via their statistical parameters. Wavelet transform modulus maxima (WTMM) methodology has been used to study the evolution of structures and their interaction in a reduced dimensionality by evaluating the fractal spectra. Classification studies have been carried out using principal component analysis (PCA) of the fractal spectra. The results obtained show clear classes for the six types of equipments and delineate regimes to obtain benchmark patterns of flow hydrodynamics based on PCA co-ordinates. This methodology offers a generalized way for the optimal design and operation of different types of reactors. (c) 2008 Published by Elsevier Ltd .

}, keywords = {Chemical reactors, hydrodynamics, Length scale distribution, mixing, Model reduction, Turbulence, Wavelet transform}, issn = {0009-2509}, doi = {10.1016/j.ces.2008.06.010}, author = {Deshpande, Sagar S. and Joshi, Jyeshtharaj B. and Kumar, V. Ravi and Kulkarni, B. D.} } @article { ISI:000256281800005, title = {Imaging the interaction between dengue 2 virus and human blood platelets using atomic force and electron microscopy}, journal = {Journal of Electron Microscopy}, volume = {57}, number = {3}, year = {2008}, month = {JUN}, pages = {113-118}, publisher = {OXFORD UNIV PRESS}, type = {Article}, address = {GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND}, abstract = {

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

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

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

}, issn = {1462-0316}, author = {Joshi, Soumai Kant and Bisht, Vandana and Dhar, Uppeandra and Joshi, Meena and Bisht, Anil Kumar} } @article { ISI:000258977500033, title = {Influence of synthesis conditions on structural properties of MCM-48}, journal = {Journal of Physics and Chemistry of Solids}, volume = {69}, number = {8}, year = {2008}, month = {AUG}, pages = {2075-2081}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, issn = {0022-3697}, doi = {10.1016/j.jpcs.2008.03.004}, author = {Taralkar, U. S. and Kasture, M. W. and Joshi, P. N.} } @article { ISI: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:000254543000039, title = {Local electronic structure and magnetic properties of LaMn(0.5)Co(0.5)O(3) studied by x-ray absorption and magnetic circular dichroism spectroscopy}, journal = {Physical Review B}, volume = {77}, number = {12}, year = {2008}, month = {MAR}, pages = {125124}, publisher = {AMER PHYSICAL SOC}, address = {ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA}, abstract = {

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

}, issn = {1098-0121}, doi = {10.1103/PhysRevB.77.125124}, author = {Burnus, T. and Hu, Z. and Hsieh, H. H. and Joly, V. L. Joseph and Joy, Pattayil Alias and Haverkort, M. W. and Wu, Hua and Tanaka, A. and Lin, H. -J. and Chen, C. T. and Tjeng, L. H.} } @article { ISI: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:000261361900032, title = {Low temperature synthesis of nanocrystalline lithium ferrite by a modified citrate gel precursor method}, journal = {Materials Research Bulletin}, volume = {43}, number = {12}, year = {2008}, month = {DEC}, pages = {3447-3456}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Single phase nanocrystalline lithium ferrite is synthesized by a modified citrate gel precursor technique. Ferrite nanoparticles of average size of 8 nm, obtained after calcination of the citrate gel Made by the usual method at 450 degrees C, show superparamagnetic behavior. However, small amounts of alpha-Fe(2)O(3) is formed as an impurity phase clue to the initial formation of some gamma-Fe(2)O(3) phase. Oil the other hand, when the pH of the mixed Solution is increased to 7 after the addition of ammonia Solution, a lower calcination temperature of 200 degrees C is sufficient for the formation of single phase lithium ferrite nanoparticles of size 30 nm. No impurity phases are detected when the nanocrystalline powders arc calcined at higher temperatures. The magnetic properties of the ferrite nanoparticles of different sizes obtained by calcining the powders at different temperatures are studied. (C) 2008 Elsevier Ltd. All rights reserved.

}, keywords = {Chemical synthesis, Magnetic materials, magnetic properties, Nanostructures, Oxides}, issn = {0025-5408}, doi = {10.1016/j.materresbull.2008.01.023}, author = {Verma, Seema and Joy, Pattayil Alias} } @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:000261061100016, title = {Magnetic and Mossbauer spectroscopic studies of NiZn ferrite nanoparticles synthesized by a combustion method}, journal = {Hyperfine Interactions}, volume = {183}, number = {1-3}, year = {2008}, month = {APR}, pages = {99-107}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

The properties of nanocrystalline Ni(0.5)Zn(0.5)Fe(2)O(4) synthesized by an auto-combustion method have been investigated by magnetic measurements and Mossbauer spectroscopy. The as-synthesized single phase nanosized ferrite powder is annealed at different temperatures in the range 673-1,273 K to obtain nanoparticles of different sizes. The powders are characterized by powder X-ray diffraction, vibrating sample magnetometer, transmission electron microscopy and Mossbauer spectroscopy. The as-synthesized powder with average particle size of similar to 9 nm is superparamagnetic. Magnetic transition temperature increases up to 665 K for the nanosized powder as compared to the transition temperature of 548 K for the bulk ferrite. This has been confirmed as due to the abnormal cation distribution, as evidenced from room temperature Mossbauer spectroscopic studies.

}, keywords = {Ferrite, magnetic properties, Mossbauer spectroscopy, Nanoparticles}, issn = {0304-3843}, doi = {10.1007/s10751-008-9736-3}, author = {Sreeja, V. and Vijayanand, S. and Deka, Sasanka and Joy, Pattayil Alias} } @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:000261582300006, title = {Molecular dynamics of copolyester/clay nanocomposites as investigated by viscoelastic and dielectric analysis}, journal = {Journal of Polymer Science Part B-Polymer Physics}, volume = {46}, number = {23}, year = {2008}, month = {DEC}, pages = {2539-2555}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

We have investigated the molecular dynamics of poly(ethylene glycol-co-cycloxeane-1,4-dimethanol terephthalate) (PETG) nanocomposites based on a organically modified layered silicate. Intercalated namocomposites were prepared by melt compounding technique as evidenced from the X-ray diffraction and transmission electron microscopy studies. Two relaxation processes were observed in pure PETG as well as in the nanocomposites. The low-temperature beta-process was assigned to the local motions of C=O polar groups and the alpha-process was due to the glass-rubber transition or the segmental relaxations associated with the polymer chain backbone. Presence of layered silicates accelerated alpha-relaxation dynamics in the nanocomposites accompanied by a depression in T(g) which was attributed to the reduced intermolecular cooperativity between intercalated polymers chains. Additionally, a direct comparison between the viscoelastic and dielectric studies shows excellent agreement between the accelerated alpha dynamics of the nanocomposites. (C) 2008 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 46: 2539-2555, 2008

}, keywords = {clay, Dielectric relaxation, Nanocomposites, polyesters}, issn = {0887-6266}, doi = {10.1002/polb.21603}, author = {Kalgaonkar, Rajendra A. and Jog, Jyoti Prakash} } @article { ISI:000251070500021, title = {Multicanonical jump walk annealing assisted by tabu for dynamic optimization of chemical engineering processes}, journal = {European Journal of Operational Research}, volume = {185}, number = {3}, year = {2008}, month = {MAR}, pages = {1213-1229}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A hybrid methodology, viz., multicanonical jump walk annealing assisted by tabu list (MJWAT) is proposed for solving dynamic optimization problems in chemically reacting systems. This method combines the power of multicanonical sampling with the beneficial features of simulated annealing. Incorporating tabu list further enhances the efficiency of the method. The superior performance of the MJWAT is highlighted with the help of five benchmark case studies. (C) 2006 Elsevier B.V. All rights reserved.

}, keywords = {dynamic optimization, metaheuristics, Monte Carlo simulations, multicanonical algorithms, simulated annealing, tabu conditions}, issn = {0377-2217}, doi = {10.1016/j.ejor.2006.06.049}, author = {Shelokar, P. S. and Jayaraman, Valadi K. and Kulkarni, B. D.} } @article {43320, title = {Multiple weak supramolecular interactions stabilize a surprisingly twisted As2L3 assembly}, journal = {Chemical Communications}, year = {2008}, month = {OCT}, pages = {3936 - 3938}, abstract = {A combined crystallographic, DFT and NMR spectroscopic study of a flexible As(2)(3) assembly reveals temperature dependent conformational behavior in solution and a highly asymmetric structure stabilized by As-pi and edge-to-face aromatic interactions.}, doi = {10.1039/b806958a}, author = {Pitt, Melanie A. and Zakharov, Lev N. and Vanka, Kumar and Thompson, Ward H. and Laird, Brian B. and Johnson, Darren W.} } @article { ISI:000260944500007, title = {Nano-gold supported on Fe2O3: a highly active catalyst for low temperature oxidative destruction of methane green house gas from exhaust/waste gases}, journal = {Applied Catalysis A-General}, volume = {350}, number = {2}, year = {2008}, month = {NOV}, pages = {186-190}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A number of nano-gold catalysts were prepared by depositing gold on different metal oxides (viz. Fe2O3, Al2O3, Co3O4, MnO2, CeO2, MgO, Ga2O3 and TiO2), using the homogeneous deposition precipitation (HDP) technique. The catalysts were evaluated for their performance in the combustion of methane (1 mol\% in air) at different temperatures (300-600 degrees C) for a GHSV of 51,000 h(-1). The supported nano-gold catalysts have been characterized for their gold loading (by ICP) and gold particle size (by TEM/HRTEM or XRD peak broadening). Among these nano-gold catalysts, the Au/Fe2O3 (Au loading = 6.1\% and Au particle size = 8.5 nm) showed excellent performance. For this catalyst, temperature required for half the methane combustion was 387 degrees C, which is lower than that required for Pd(1\%)/Al2O3 (400 degrees C) and Pt(1\%)/Al2O3 (500 degrees C) under identical conditions. A detailed investigation on the influence of space velocity (GHSV = 10,000-100,000 cm(3) g(-1) h(-1)) at different temperatures (200-600 degrees C) on the oxidative destruction of methane over the Au/Fe2O3 catalyst has also been carried out. The Au/Fe2O3 catalyst prepared by the HDP method showed much higher methane combustion activity than that prepared by the conventional deposition precipitation (DP) method. The XPS analysis showed the presence of Au in the different oxidation states (Au-0, Au1+ and Au3+) in the catalyst. (C) 2008 Elsevier B.V. All rights reserved.

}, keywords = {Au/Fe2O3, Deposition precipitation, Homogeneous deposition precipitation, Methane combustion, Supported nano-gold catalysts}, issn = {0926-860X}, doi = {10.1016/j.apcata.2008.08.008}, author = {Choudhary, Vasant R. and Patil, V. P. and Jana, Prabhas and Uphade, B. S.} } @article { ISI:000259140700055, title = {N-doped TiO2 nanoparticle based visible light photocatalyst by modified peroxide sol-gel method}, journal = {Journal of Physical Chemistry C}, volume = {112}, number = {37}, year = {2008}, month = {SEP}, pages = {14595-14602}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

}, issn = {1932-7447}, doi = {10.1021/jp803567f}, author = {Jagadale, Tushar C. and Takale, Shrikant P. and Sonawane, Ravindra S. and Joshi, Hrushikesh M. and Patil, Shankar I. and Kale, Bharat B. and Ogale, Satishchandra B.} } @article { ISI: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: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:000257228100019, title = {Optimal xylanase production using Penicilium janthinellum NCIM 1169: a model based approach}, journal = {Biochemical Engineering Journal}, volume = {40}, number = {2}, year = {2008}, month = {JUN}, pages = {348-356}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Xylanases are an industrially important class of hydrolytic enzymes that degrade xylans. Production of xylanase from a fungal culture by submerged fermentation and optimization of the operating conditions for maximum activity are the two aims of the present study. Penicillium janthinellum NCIM 1169 with Mandels-Weber medium, sugarcane bagassse (40\#) as a carbon source and beef extract as a nitrogen source were used in the experiments. We did 41 experiments to see the effect of variations in carbon, nitrogen source, pH, and inoculum on xylanase activity. This data was then used to build an input/output model using multiple linear regression, back propagation neural network and lazy learning algorithm. It was found that lazy learning model correlated well in mapping input/output data. This model was then utilized as an objective function in genetic algorithm to find the optimal combination of the operating conditions to get the maximum xylanase activity. It was observed that with carbon source, 1.63\%, nitrogen source, 0.16\%, pH, 4.1, and inoculum, 5.5\%, maximum xylanase activity of 28.98 +/- 1.73 U/ml was achieved. (C) 2008 Elsevier B.V. All rights reserved.

}, keywords = {Artificial intelligence, Enzyme activity, Fermentation, Modeling, Optimization, Xylanase}, issn = {1369-703X}, doi = {10.1016/j.bej.2008.01.003}, author = {Meshram, Mukesh and Kulkarni, Abhijit and Jayaraman, Valadi K. and Kulkarni, B. D. and Lele, S. S.} } @article { ISI:000253382100048, title = {PdCl2(bipy) complex - an efficient catalyst for Heck reaction in glycol-organic biphasic medium}, journal = {Catalysis Today}, volume = {131}, number = {1-4}, year = {2008}, note = {4th Asia-Pacific Congress on Catalysis, Nanyang Technol Univ, Singapore, SINGAPORE, DEC 06-08, 2006}, month = {FEB}, pages = {353-359}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The Palladium complex PdCl2(bipy) (1) was found to be efficient in catalyzing the Heck reaction of aryl halides in a biphasic system comprising ethylene glycol along with an organic solvent. A proper tailoring of the organic phase ensured that the leaching of the catalyst to the organic phase was negligible. The catalyst was active for the Heck reaction of a number of olefins, aryl halides, in presence of organic and inorganic bases. The PdCl2(bipy) catalyst was stable and could be recycled for five times without any loss in activity and selectivity. A major advantage of this work is that unlike hitherto reported biphasic systems; it does not employ a water-soluble ligand to achieve biphasic catalysis. (c) 2007 Elsevier B.V. All rights reserved.

}, keywords = {Biphasic catalysis, C-C coupling, Heck reaction, PdCl2(bipy) complex}, issn = {0920-5861}, doi = {10.1016/j.cattod.2007.10.043}, author = {Jagtap, Sangeeta Vijay and Deshpande, Raj Madhukar} } @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:000255001300003, title = {Physicomechanical and magnetic properties of neoprene based rubber ferrite composites}, journal = {Polymer-Plastics Technology and Engineering}, volume = {47}, number = {2}, year = {2008}, month = {JAN}, pages = {137-146}, publisher = {TAYLOR \& FRANCIS INC}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {

Fine (approximately 18nm) particles of nickel ferrite were synthesized by the sol-gel technique, and their structural properties were evaluated by X-ray diffraction. Neoprene-based rubber ferrite composites were prepared by incorporating these nickel ferrite powders in the rubber matrix according to a specific recipe. The cure characteristics were analyzed, and the samples were molded into particular shapes whose properties were determined according to ASTM standards. Magnetization studies were carried out using a Vibrating Sample Magnetometer. This study indicates that neoprene rubber-based flexible magnets with desired magnetic properties and appropriate mechanical properties can be prepared by incorporating an adequate amount of nanoscale nickel ferrite particles within the rubber matrix.

}, keywords = {Ferrite, ferrite composites, flexible magnets, neoprene rubber, rubber, Sol-gel method}, issn = {0360-2559}, doi = {10.1080/03602550701815946}, author = {Prema, K. H. and Kurian, Philip and Joy, Pattayil Alias and Anantharaman, Maliemadom R.} } @article { ISI:000257321700001, title = {Poly(4-methyl-1-pentene)/MWNT nanocomposites}, journal = {E-Polymers}, year = {2008}, month = {JUL}, pages = {079}, publisher = {EUROPEAN POLYMER FEDERATION}, address = {1, QUAI LEZAY-MARNESIA, F067000 STRASBOURG, FRANCE}, abstract = {

Nanocomposites of poly(4-methyl-1-pentene) (PMP) with various weight fractions of multiwall carbon nanotubes (MWNT{\textquoteright}s) were prepared by melt compounding. The nanocomposites are characterized for structure using scanning electron microscopy. The viscoelastic behavior of the nanocomposites is investigated in solid as well as melt state. The study reveals a significant increase in storage modulus especially in the rubbery regime of the polymer matrix and reduced tan delta. Rheological properties in melt show that the complex viscosity and shear storage modulus are increased as a result of incorporation of MWNT. A systematic decrease in the cross over frequency is noted which is attributed to the increased relaxation time. In dielectric analysis, composition dependent enhanced permittivity and conductivity are observed. The thermal stability of the polymer is found to be significantly improved in presence of MWNT{\textquoteright}s.

}, issn = {1618-7229}, author = {Patil, Prashant A. and Wanjale, Santosh D. and Jog, Jyoti Prakash} } @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:000263687000002, title = {Preparation and characterization of electrospun fibers of nylon 11}, journal = {Express Polymer Letters}, volume = {2}, number = {8}, year = {2008}, month = {AUG}, pages = {540-545}, publisher = {BUDAPEST UNIV TECHNOL \& ECON}, address = {DEPT POLYMER ENG, MUEGYETEM RKP 3, BUDAPEST, H-1111, HUNGARY}, abstract = {

Nylon 11 nanofibers mats were successfully prepared by electrospinning process from formic acid solution. The scanning electron microscopy (SEM) images showed that nanofibers with uniform diameter were produced when the polymer concentration was 10\% w/v, whereas ribbons were formed at a higher concentration. The crystalline structure of the nanofibers mats was investigated using X-ray diffraction (XRD) and it was found that the nanofibers mats crystallized in gamma form. The melt crystallized as well as solution casted films however exhibited a form. The thermal properties of these samples were studied using differential scanning calorimetry (DSC) and it was observed that electrospun fibers showed higher crystallinity than the melt-crystallized samples. However, the crystallinity of electrospun fibers was lower than the solution-crystallized sample.

}, keywords = {biocompatible polymers, electrospinning, Nanomaterials, Nylon 11}, issn = {1788-618X}, doi = {10.3144/expresspolymlett.2008.65}, author = {Dhanalakshmi, M. and Jog, Jyoti Prakash} } @article { ISI:000255803800012, title = {Production and single step purification of cyclodextrin glycosyltransferase from alkalophilic bacillus firmus by ion exchange chromatography}, journal = {Biochemical Engineering Journal}, volume = {39}, number = {3}, year = {2008}, month = {MAY}, pages = {510-515}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {alkalophilic, Bacillus firmus, CGTase, cyclodextrin, Purification}, issn = {1369-703X}, doi = {10.1016/j.bej.2007.09.020}, author = {Savergave, Laman S. and Mule, Santosh S. and Jogdand, Vitthal V. and Nene, Sanjay N. and Gadre, Ramchandra V.} } @article { ISI:000253767100014, title = {Rapid phase-controlled microwave synthesis of nanostructured hierarchical tetragonal and cubic beta-In2S3 dandelion flowers}, journal = {Chemical Physics Letters}, volume = {452}, number = {4-6}, year = {2008}, month = {FEB}, pages = {301-305}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Phase controlled synthesis of hierarchical nanostructured beta-In2S3 dandelion flowers is realized by a rapid microwave solvothermal process using indium metal, nitric acid and thiourea as precursors. The tetragonal and cubic phases of the compound have been successfully and separately stabilized in the same type of dandelion morphology by using aqueous-mediated and methanol-mediated synthesis, respectively. The possible mechanism responsible for phase control is discussed. Optical properties of the flowers as well as their hydrogen generation capability by photodecomposition of H2S under visible light are also reported. (c) 2007 Elsevier B.V. All rights reserved.

}, issn = {0009-2614}, doi = {10.1016/j.cplett.2007.12.048}, author = {Naik, S. D. and Jagadale, Tushar C. and Apte, S. K. and Sonawane, S. and Kulkarni, M. V. and Patil, S. I. and Ogale, Satishchandra B. and Kale, B. B.} } @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:000260230400034, title = {Scanning tunneling microscopic and field emission microscopic studies of nanostructured molybdenum film synthesized by electron cyclotron resonance plasma}, journal = {Vacuum}, volume = {83}, number = {2}, year = {2008}, month = {SEP}, pages = {435-443}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {ECR plasma, Field emission microscopy, Hollow cathode chemical sputtering, Mo nanoparticles, Scanning tunneling microscopy}, issn = {0042-207X}, doi = {10.1016/j.vacuum.2008.04.077}, author = {Purohit, Vishwas S. and Bhise, Ashok B. and Dey, Shirshendu and More, Mahendra A. and Dharmadhikari, C. V. and Joag, Dilip S. and Pasricha, Renu and Bhoraskar, S. V.} } @article { ISI:000260988200019, title = {Selective epoxidation of styrene to styrene oxide by TBHP using simple transition metal oxides (NiO, CoO or MoO3) as highly active environmentally-friendly catalyst}, journal = {Catalysis Communications}, volume = {10}, number = {2}, year = {2008}, month = {NOV}, pages = {205-207}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {CoO, epoxidation, MoO3, NiO, styrene, Styrene oxide, TBHP}, issn = {1566-7367}, doi = {10.1016/j.catcom.2008.08.020}, author = {Choudhary, Vasant R. and Jha, Rani and Jana, Prabhas} } @article { ISI:000260587200010, title = {Self-diffusion coefficient of ring polymers in semidilute solution}, journal = {Journal of Polymer Science Part B-Polymer Physics}, volume = {46}, number = {21}, year = {2008}, month = {NOV}, pages = {2370-2379}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {

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

}, keywords = {Diffusion, Macrocycles, Monte Carlo simulation}, issn = {0887-6266}, doi = {10.1002/polb.21569}, author = {Iyer, Balaj V. S. and Shanbhag, Sachin and Juvekar, Vinay A. and Lele, Ashish K.} } @article { ISI:000259342400009, title = {Size dependent coordination behavior and cation distribution in MgAl2O4 nanoparticles from Al-27 solid state NMR studies}, journal = {Journal of Physical Chemistry C}, volume = {112}, number = {38}, year = {2008}, month = {SEP}, pages = {14737-14744}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

}, issn = {1932-7447}, doi = {10.1021/jp800412k}, author = {Sreeja, V. and Smitha, T. S. and Nand, Deepak and Ajithkumar, Thalasseril G. and Joy, Pattayil Alias} } @article { ISI:000254587500014, title = {Solvent-free and nonisocyanate melt transurethane reaction for aliphatic polyurethanes and mechanistic aspects}, journal = {Journal of Polymer Science Part A-Polymer Chemistry}, volume = {46}, number = {7}, year = {2008}, month = {APR}, pages = {2445-2458}, publisher = {JOHN WILEY \& SONS INC}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

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

}, keywords = {MALDI, melt polymerization, nonisocyanate, Polycondensation, polyurethanes, thermal stability, transurethane}, issn = {0887-624X}, doi = {10.1002/pola.22578}, author = {Deepa, P. and Jayakannan, M.} } @proceedings {43362, title = {Studies on ZnO based diluted magnetic semiconductors}, volume = {3}, year = {2008}, month = {MAR}, pages = {373-378}, publisher = {Minerals, Metals \& Materials Soc, 184 Thorn Hill Rd, Warrendale, PA 15086-7514 USA}, address = {New Orleans, LA}, abstract = {

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

}, author = {Deka, Sasanka and Joy, P. A.} } @article { ISI:000257381600004, title = {Sulfur nanoparticles synthesis and characterization from H2S gas, using novel biodegradable iron chelates in w/o microemulsion}, journal = {Nanoscale Research Letters}, volume = {3}, number = {6}, year = {2008}, month = {JUN}, pages = {221-229}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

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

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

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

}, keywords = {Curie temperature, Nanocrystalline, Superparamagnetism, Zinc Ferrite}, issn = {1533-4880}, doi = {10.1166/jnn.2008.201}, author = {Deka, Sasanka and Joy, Pattayil Alias} } @article { ISI:000261281100001, title = {SVR-based prediction of point gas hold-up for bubble column reactor through recurrence quantification analysis of LDA time-series}, journal = {International Journal of Multiphase Flow}, volume = {34}, number = {12}, year = {2008}, month = {DEC}, pages = {1099-1107}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {Bubble column, Gas hold-up, LDA, Recurrence quantification analysis (RQA), Support vector regression (SVR)}, issn = {0301-9322}, doi = {10.1016/j.ijmultiphaseflow.2008.07.001}, author = {Gandhi, Ankit B. and Joshi, J. B. and Kulkarni, A. A. and Jayaraman, Valadi K. and Kulkarni, B. D.} } @article { ISI:000254416300052, title = {Synthesis and magnetic properties of barium-calcium hexaferrite particles prepared by sol-gel and microemulsion techniques}, journal = {Journal of Magnetism and Magnetic Materials}, volume = {320}, number = {6}, year = {2008}, month = {MAR}, pages = {1095-1101}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {BaCa2Fe16O27, hexaferrite, magnetic property, Microemulsion, Sol-gel method, surfactant}, issn = {0304-8853}, doi = {10.1016/j.jmmm.2007.10.032}, author = {Jotania, R. B. and Khomane, Ramdas B. and Chauhan, C. C. and Menon, Shamal K. and Kulkarni, B. D.} } @article { ISI:000255342500023, title = {Temperature dependent structural studies and magnetic properties of BaCa2Fe16O27 hexaferrites prepared by stearic acid gel route in presence of SDS surfactant}, journal = {Synthesis and Reactivity in Inorganic Metal-Organic and Nano-Metal Chemistry}, volume = {38}, number = {2}, year = {2008}, note = {Symposium on New Routes to Inorganic Materials, Films and Nanocrystals held at ICMAT 2007, Singapore, SINGAPORE, JUL 01-06, 2007}, month = {MAR}, pages = {225-228}, publisher = {TAYLOR \& FRANCIS INC}, type = {Article, Proceedings Paper}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {

The preparation of BaCa2Fe16O27 hexaferrite powders by a stearic acid gel method with SDS surfactant has been investigated at various sintering temperatures. The samples were characterized by X-ray diffraction, scanning electron microscopy (SEM), TGA, FTIR and vibrating sample magnetometer (VSM). The effect of sintering temperature on properties of BaCa2Fe16O27 hexaferrites was studied. In presence of sodium dodecyl sulfate (SDS) surfactant, the magnetic parameters, like saturation magnetization, coercivity and remanent magnetization, have been calculated from hysteresis loop.

}, keywords = {BaCa2Fe16O27, magnetic properties, stearic acid gel method}, issn = {1553-3174}, doi = {10.1080/15533170801926549}, author = {Joyania, R. B. and Khomane, Ramdas B. and Chauhan, C. C. and Kulkarni, B. D.} } @article { ISI:000254443900006, title = {Ultrasound promoted asymmetric transfer hydrogenation of ketones using Ru(II)arene/amino alcohol catalyst system}, journal = {Ultrasonics Sonochemistry}, volume = {15}, number = {4}, year = {2008}, month = {APR}, pages = {289-293}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {asymmetric catalysis, transfer hydrogenation, Ultrasound}, issn = {1350-4177}, doi = {10.1016/j.ultsonch.2007.10.003}, author = {Shingote, Savita K. and Kelkar, Ashutosh A. and Borole, Yogesh L. and Joshi, Pradip D. and Chaudhari, Raghunath V.} } @article { ISI:000257971900057, title = {Use of response surface optimization for the production of biosurfactant from rhodococcus spp. MTCC 2574}, journal = {Bioresource Technology}, volume = {99}, number = {16}, year = {2008}, month = {NOV}, pages = {7875-7880}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

The production of biosurfactant from Rhodococcus spp. MTCC 2574 was effectively enhanced by response surface methodology (RSM). Rhodococcus spp. MTCC 2574 was selected through screening of seven different Rhodococcus strains. The preliminary screening experiments (one-factor at a time) suggested that carbon source: mannitol, nitrogen source: yeast extract and meat peptone and inducer: n-hexadecane are the critical medium components. The concentrations of these four media components were optimized by using central composite rotatable design (CCRD) of RSM. The adequately high R-2 value (0.947) and F score 19.11 indicated the statistical significance of the model. The optimum medium composition for biosurfactant production was found to contain mannitol (1.6 g/L), yeast extract (6.92 g/L), meat peptone (19.65 g/L), n-hexadecane (63.8 g/L). The crude biosurfactant was obtained from methyl tert-butyl ether extraction. The yield of biosurfactant before and after optimization was 3.2 g/L of and 10.9 g/L, respectively. Thus, RSM has increased the yield of biosurfactant to 3.4-fold. The crude biosurfactant decreased the surface tension of water from 72 mN/m to 30.8 mN/m (at 120 mg L-1) and achieved a critical, micelle concentration (CMC) value of 120 mg L-1. (C) 2008 Published by Elsevier Ltd.

}, keywords = {Biosurfactant, Medium optimization, Response surface methodology, Rhodococcus spp.}, issn = {0960-8524}, doi = {10.1016/j.biortech.2008.02.027}, author = {Mutalik, Snehal R. and Vaidya, Bhalchandra K. and Joshi, Renuka M. and Desai, Kiran M. and Nene, Sanjay N.} } @article { ISI:000261555200036, title = {Valence-state analysis through spectroelectrochemistry in a series of quinonoid-bridged diruthenium complexes [(acac)(2)Ru(mu-L)Ru(acac)(2)](n) (n =+2,+1, 0,-1,-2)}, journal = {Chemistry-A European Journal}, volume = {14}, number = {34}, year = {2008}, month = {OCT}, pages = {10816-10828}, publisher = {WILEY-BLACKWELL}, type = {Article}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {

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

}, keywords = {magnetic properties, quinones, ruthenium, spectroelectrochemistry, structure elucidation, valence-state distributions}, issn = {0947-6539}, doi = {10.1002/chem.200800976}, author = {Ghumaan, Sandeep and Sarkar, Biprajit and Maji, Somnath and Puranik, Vedavati G. and Fiedler, Jan and Urbanos, Francisco A. and Jimenez-Aparicio, Reyes and Kaim, Wolfgang and Lahiri, Goutam Kumar} } @conference { ISI:000257237400015, title = {Variability among vitis vinifera cultivars to in vitro propagation}, booktitle = {Proceedings of the International Symposium on Grape Production and Processing}, series = {ACTA HORTICULTURAE}, number = {785}, year = {2008}, note = {International Symposium on Grape Production and Processing, Baramati, INDIA, FEB 06-11, 2006}, month = {MAY}, pages = {127-139}, publisher = {Agr \& Processed Food Prod Export Dev Author; Indian Farmers Fertilizer Cooperat Ltd; Maharashtra Agro Industries Dev Corp Ltd; Indian Council Agr Res; Natl Res Ctr Grapes; Federat Indian Chambers Commerce \& Ind; Natl Hort Board; Minist Food Proc Industrie}, organization = {Agr \& Processed Food Prod Export Dev Author; Indian Farmers Fertilizer Cooperat Ltd; Maharashtra Agro Industries Dev Corp Ltd; Indian Council Agr Res; Natl Res Ctr Grapes; Federat Indian Chambers Commerce \& Ind; Natl Hort Board; Minist Food Proc Industrie}, address = {Po Box 500, 3001 Leuven 1, Belgium}, abstract = {

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

}, keywords = {basal media, Grapevine, growth regulators, micropropagation, Tissue culture, Vitis}, isbn = {978-90-6605-268-0}, issn = {0567-7572}, author = {Barreto, M. S. and Nookaraju, A. and Joglekar, A. M. and Karibasappa, G. S. and Agrawal, Dinesh C.}, editor = {Adsule, P. G. and Sawant, I. S. and Shikhamany, S. D.} } @article { ISI:000263158700050, title = {Acylation of nitrobenzene and substituted nitrobenzenes by benzoyl chloride using GaClx- and GaAlClx-grafted meporous Si-MCM-41 catalysts}, journal = {Microporous and Mesoporous Materials}, volume = {119}, number = {1-3}, year = {2009}, month = {MAR}, pages = {360-362}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A acylation of nitrobenzene and substituted nitrobenzene by benzoyl chloride can be accomplished with good yield in a short reaction period (\<= 3 h), even in the presence of moisture, using GaClx- and GaAlClx-grafted mesoporous silica (Si-MCM-41) catalyst. The catalyst is reusable/environmentally friendly. The presence of moisture in the catalyst has beneficial effect on the acylation reaction. (C) 2008 Elsevier Inc. All rights reserved.

}, keywords = {Acylation, Benzoyl chloride, GaAlClx-grafted Si-MCM-41, GaClx-grafted Si-MCM-41, nitrobenzene}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2008.11.001}, author = {Choudhary, Vasant R. and Jha, Rani} } @article { ISI:000269502300005, title = {Alum catalyzed convenient synthesis of quino [2,3-b][1,5]benzoxazepine alpha-aminophosphonate derivatives}, journal = {Bulletin of the Korean Chemical Society}, volume = {30}, number = {8}, year = {2009}, month = {AUG}, pages = {1711-1714}, publisher = {KOREAN CHEMICAL SOC}, address = {635-4 YEOGSAM-DONG, KANGNAM-GU, SEOUL 135-703, SOUTH KOREA}, abstract = {

We have described an efficient synthesis of quino[2,3-b][1,5]benzoxazepine alpha-aminophosphonate derivatives by the nucleophilic addition of triethyl phosphite to substituted quino[2,3-b][1,5]benzoxazepines promoted by easily available, inexpensive and mild catalyst KAl(SO(4))(2)center dot 12H(2)O (alum). The reactions proceed smoothly at room temperature under solvent-free reaction conditions and providing high yield of product in very short reaction time.

}, keywords = {5]benzoxazepine, alpha-Aminophosphonate, Alum, Quino[2.3-b][1, Solvent-free, Triethyl phosphite}, issn = {0253-2964}, author = {Sonar, Swapnil S. and Sadaphal, Sandip A. and Shitole, Nana N. and Jogdand, Nivrutti R. and Shingate, Bapurao B. and Shingare, Murlidhar S.} } @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: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:000264614500017, title = {Catalytic meerwein-ponndorf-verley reductions over mesoporous silica supports: rational design of hydrophobic mesoporous silica for enhanced stability of aluminum doped mesoporous catalysts}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {301}, number = {1-2}, year = {2009}, month = {MAR}, pages = {118-126}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A series of aluminum isopropoxide-grafted mesoporous organosilica having ethane (-CH(2)-CH(2)-) and ethene (-CH=CH-) groups in the frame wall positions (ethane-silica, ethene-silica) as well as mesoporous silicas (MCM-41, MCM-48. SBA-15) through siloxide linkages were fabricated. The samples were used as catalysts in the Meerwein-Ponndorf-Verley reduction of ketones and aldehydes of different nature and size using secondary alcohols as the hydrogen transfer agents. Aluminum isopropoxide supported mesoporous silica samples show higher catalytic conversion and among them, the one-dimensionally channel oriented Si-MCM-41 supported aluminum isopropoxide shows better results than the three-dimensional Si-MCM-48 and the large pore Si-SBA-15. Compared to aluminum isopropoxide-grafted mesoporous silica samples, aluminum alkoxide-grafted organosilica samples shows better catalytic activity even in the presence of 10\% of water and the better stability is attributed to the presence of integrated hydrophobic organic groups in the frame wall positions. (C) 2008 Elsevier B.V. All rights reserved.

}, keywords = {Aluminum isopropoxide, Mesoporous silica, Organosilica, reduction}, issn = {1381-1169}, doi = {10.1016/j.molcata.2008.11.020}, author = {Shylesh, S. and Kapoor, Mahendra P. and Juneja, Lekh R. and Samuel, Prinson R. and Srilakshmi, Ch and Singh, A. R.} } @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: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:000264061100021, title = {Cobalt(II) chloride hexahydrate-diisopropylamine catalyzed mild and chemoselective reduction of carboxylic esters with sodium borohydride}, journal = {Synthesis-Stuttgart}, number = {4}, year = {2009}, month = {FEB}, pages = {660-664}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

The cobalt-catalyzed reduction of unsaturated alpha-cyano carboxylic esters using sodium borohydride (NaBH(4)) leads to the corresponding saturated cyano alcohols in high yields. In particular, the new catalytic system cobalt(II) chloride-diisopropylamine in combination with NaBH(4) showed excellent activity in the chemoselective reduction of a variety of carboxylic esters to their corresponding alcohols in good to excellent yields under mild conditions.

}, keywords = {Alcohols, amines, catalysis, Esters, reductions}, issn = {0039-7881}, doi = {10.1055/s-0028-1083353}, author = {Jagdale, Arun R. and Paraskar, Abhimanyu S. and Sudalai, Arumugam} } @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:000269892100029, title = {Continuous flow nitration of benzaldehyde}, journal = {Organic Process Research \& Development}, volume = {13}, number = {5}, year = {2009}, note = {235th American-Chemical-Society National Meeting, New Orleans, LA, APR 06-10, 2008}, month = {OCT}, pages = {999-1002}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The nitration of benzaldebyde can be carried out in a safe manner in continuous mode using a microreactor system. Choice of a micromixer was seen to affect the performance of this two-phase reaction significantly The reaction time could he brought down to 2 min by increasing the reaction temperature and thereby taking advantage of higher heat transfer area. The simple T-micromixer is seen to be inefficient for two-phase reactions. Further scope of process intensification is also discussed.

}, issn = {1083-6160}, doi = {10.1021/op000129vv}, author = {Kulkarni, Amol A. and Kalyani, Vishwanath S. and Joshi, Ramesh A. and Joshi, Rohini R.} } @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:000271067400004, title = {Cu(OTf)(2)-catalyzed alpha-halogenation of ketones with 1,3-dichloro-5,5 {\textquoteleft}-dimethylhydantoin and N-bromosuccinimide}, journal = {Indian Journal of Chemistry Section B-Organic Chemistry including Medicinal Chemistry}, volume = {48}, number = {10}, year = {2009}, month = {OCT}, pages = {1424-1430}, publisher = {COUNCIL SCIENTIFIC \& INDUSTRIAL RES}, address = {ANUSANDHAN BHAWAN, 2 RAFI MARG, NEW DELHI, 110001, INDIA}, abstract = {

Copper(II) triflate catalyses efficiently the alpha-halogentation of aryl or alkyl ketones with 1,3-dichloro-5,5{\textquoteright}-dimethyl-hydantoin and N-bromosaccinimde to give the corresponding alpha,alpha-dichloroketones and alpha-bromoketones in high yield with excellent product selectivity.

}, keywords = {Bromination, Catalyst, chlorination, copper (II), Ketone, Lewis acid}, issn = {0376-4699}, author = {Jagdale, Arun R. and Chouthaiwale, Pandurang V. and Sudalai, Arumugam} } @article { ISI:000263373600066, title = {Dendritic effect of ligand-coated nanoparticles: enhanced apoptotic activity of silica-berberine nanoconjugates}, journal = {Langmuir}, volume = {25}, number = {4}, year = {2009}, month = {FEB}, pages = {2339-2347}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

We describe the synthesis and biological characterization of a novel prototype, namely, silica nanoconjugates bearing a covalently linked berberine, a plant alkaloid known to have antiproliferative activity. The effect of synthesized nanoconjugates on cell proliferation, the cell cycle profile, and apoptosis in the human cervical carcinoma cell line (HeLa), human hepatocellular liver carcinoma cell line (HepG2), and human embryonic kidney (HEK) 293T cell line has been studied and compared with the results obtained for free berberine. Our results show that all the nanoconjugates display higher antiproliferative activity than free berberine. The ability of these nanoconjugates to inhibit cellular proliferation is mediated by the cell cycle arrest at the G1 phase. Moreover, silica nanoconugates caused selective apoptotic arrest with a higher efficiency than free berberine followed by apoptotic cell death as shown by quantitative fluorescence-activated cell sorting analyses. Efficiency of the nanoconjugates increases upon an increase in the linker chain length, demonstrating the distinct role of the spacer chain that conjugates nanoparticles and ligands. The actual reason to show enhanced efficiency by the nanoconjugates has not been elucidated in the present study; however, we hypothesize that an increase in local concentration due to the confinement of a ligand on the nanosurface ({\textquoteright}{\textquoteright}dendritic{\textquoteright}{\textquoteright} effect) might have led to the observed effect.

}, issn = {0743-7463}, doi = {10.1021/la802761b}, author = {Halimani, Mahantappa and Chandran, S. Prathap and Kashyap, Sudhir and Jadhav, V. M. and Bhagavatula L. V. Prasad and Hotha, Srinivas and Maiti, Souvik} } @article { ISI:000271103500032, title = {Development of correlations for overall gas hold-up, volumetric mass transfer coefficient, and effective interfacial area in bubble column reactors using hybrid genetic algorithm-support vector regression technique: viscous newtonian and non-newtonian liq}, journal = {Industrial \& Engineering Chemistry Research}, volume = {48}, number = {21}, year = {2009}, month = {NOV}, pages = {9631-9654}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

}, issn = {0888-5885}, doi = {10.1021/ie801834w}, author = {Gupta, Prashant P. and Merchant, Shamel S. and Bhat, Akshay U. and Gandhi, Ankit B. and Bhagwat, Sunil S. and Joshi, Jyeshtharaj B. and Jayaraman, Valadi K. and Kulkarni, Bhaskar D.} } @article { ISI:000265781200006, title = {Development of unified correlations for volumetric mass-transfer coefficient and effective interfacial area in bubble column reactors for various gas-liquid systems using support vector regression}, journal = {Industrial \& Engineering Chemistry Research}, volume = {48}, number = {9}, year = {2009}, month = {MAY}, pages = {4216-4236}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

}, issn = {0888-5885}, doi = {10.1021/ie8003489}, author = {Gandhi, Ankit B. and Gupta, Prashant P. and Joshi, Jyeshtharaj B. and Jayaraman, Valadi K. and Kulkarni, Bhaskar D.} } @article { ISI:000262657300005, title = {Direct H-2-to-H2O2 oxidation over highly active/selective Br-F-Pd/Al2O3 catalyst in aqueous acidic medium: Influence of process conditions on the H2O2 formation}, journal = {Applied Catalysis A-General}, volume = {352}, number = {1-2}, year = {2009}, month = {JAN}, pages = {35-42}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The influence of the O-2/H-2 mote ratio in the gaseous feed and also those of other reaction conditions [viz. concentration of H3PO4 (0-5 mol/dm(3)). temperature (5-50 degrees C, gas (H-2 and O-2) space velocity (5.8-23.4 h(-1)) and reaction time (0.1-8 h)] on the H2O2 formation in the H-2-to-H2O2 oxidation over the Br(1 wt\%)-F(1 wt\%)-Pd(5 wt\%)/Al2O3 catalyst in an aqueous acidic (H3PO4) medium have been thoroughly investigated. The effects of the O-2/H-2 ratio, reaction temperature and acid concentration on the destruction of H2O2 by its decomposition and/or hydrogenation reactions over the catalyst in the acidic reaction medium have also been studied. The net H2O2 formation (H2O2 yield) over the catalyst passed through a maximum with increasing the acid concentration, the temperature or the O-2/H-2 feed ratio. However, it decreased markedly with increasing the gas space velocity or the reaction period. The H2O2 decomposition and hydrogenation activities of the catalyst increased appreciably with increasing the reaction temperature and decreased with increasing the acid concentration. The H2O2 destruction during the H-2-to-H2O2 oxidation increased with increasing the concentration of H-2 (relative to that of O-2) due to the increased H2O2 hydrogenation rate over the catalyst. The net H2O2 formation in the H-2-to-H2O2 oxidation decreased sharply with increasing the initial amount of H2O2 present in the reaction mixture. The presence of H2O2 and the higher H-2/O-2 ratios have detrimental effects on the net formation of H2O2. (C) 2008 Elsevier B.V. All rights reserved.

}, keywords = {Br-F-Pd/Al2O3 catalyst, H2O2 decomposition, H2O2 hydrogenation, hydrogen oxidation, Hydrogen peroxide}, issn = {0926-860X}, doi = {10.1016/j.apcata.2008.09.028}, author = {Choudhary, Vasant R. and Jana, Prabhas} } @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:000271103500012, title = {Effect of flow structures on heat transfer in single and multiphase jet reactors}, journal = {Industrial \& Engineering Chemistry Research}, volume = {48}, number = {21}, year = {2009}, month = {NOV}, pages = {9428-9440}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

}, issn = {0888-5885}, doi = {10.1021/ie900052s}, author = {Deshpande, Sagar S. and Mathpati, Channamallikarjun S. and Gulawani, Sagar S. and Joshi, Jyeshtharaj B. and Kumar, V. Ravi} } @article { ISI:000269206600022, title = {Effect of nickel nanofillers on the dielectric and magnetic properties of composites based on rubber in the X-band}, journal = {Applied Physics A-Materials Science \& Processing}, volume = {97}, number = {1}, year = {2009}, month = {OCT}, pages = {157-165}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Nickel-rubber nanocomposites were synthesized by incorporating ferromagnetic nickel nanoparticles in a natural rubber as well as neoprene rubber matrix. Complex dielectric permittivity and magnetic permeability of these composites were evaluated in the X-band microwave frequencies at room temperature using cavity perturbation technique. The dielectric loss in natural rubber is smaller compared to neoprene rubber. A steady increase in the dielectric permittivity is observed with increase in the content of nickel in both the composites. The magnetic permeability exhibits a steady decrease with increase in frequency and magnetic loss shows a relaxation at 8 GHz. The suitability of these composites as microwave absorbers is modeled based on the reflection loss which is dependant on the real and imaginary components of the complex dielectric permittivity and magnetic permeability.

}, issn = {0947-8396}, doi = {10.1007/s00339-009-5284-1}, author = {Jamal, E. Muhammad Abdul and Mohanan, P. and Joy, Pattayil Alias and Kurian, Philip and Anantharaman, Maliemadom R.} } @article { ISI:000268138200061, title = {Electronic structure and catalytic study of solid solution of GaN in ZnO}, journal = {Chemistry of Materials}, volume = {21}, number = {13}, year = {2009}, month = {JUL}, pages = {2973-2979}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

}, issn = {0897-4756}, doi = {10.1021/cm900682q}, author = {Mapa, Maitri and Thushara, K. S. and Saha, Biswajit and Chakraborty, Purushottam and Janet, C. M. and Viswanath, R. P. and Nair, C. Madhavan and Murty, K. V. G. K. and Gopinath, Chinnakonda S.} } @article { ISI:000265398300007, title = {Enhanced production of amidase from Rhodococcus erythropolis MTCC 1526 by medium optimisation using a statistical experimental design}, journal = {Journal of Industrial Microbiology \& Biotechnology}, volume = {36}, number = {5}, year = {2009}, month = {MAY}, pages = {671-678}, publisher = {SPRINGER HEIDELBERG}, address = {TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY}, abstract = {

In the present work, statistical experimental methodology was used to enhance the production of amidase from Rhodococcus erythropolis MTCC 1526. R. erythropolis MTCC 1526 was selected through screening of seven strains of Rhodococcus species. The Placket-Burman screening experiments suggested that sorbitol as carbon source, yeast extract and meat peptone as nitrogen sources, and acetamide as amidase inducer are the most influential media components. The concentrations of these four media components were optimised using a face-centred design of response surface methodology (RSM). The optimum medium composition for amidase production was found to contain sorbitol (5 g/L), yeast extract (4 g/L), meat peptone (2.5 g/L), and acetamide (12.25 mM). Amidase activities before and after optimisation were 157.85 units/g dry cells and 1,086.57 units/g dry cells, respectively. Thus, use of RSM increased production of amidase from R. erythropolis MTCC 1526 by 6.88-fold.

}, keywords = {Amidase, Medium optimisation, Plackett-Burman screening, Response surface methodology, Rhodococcus erythropolis}, issn = {1367-5435}, doi = {10.1007/s10295-009-0536-9}, author = {Vaidya, Bhalchandra K. and Mutalik, Snehal R. and Joshi, Renuka M. and Nene, Sanjay N. and Kulkarni, Bhaskar D.} } @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:000271843400019, title = {Ferromagnetic properties of glucose coated Cu2O nanoparticles}, journal = {Solid State Communications}, volume = {149}, number = {47-48}, year = {2009}, month = {DEC}, pages = {2199-2201}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Magnetic properties of glucose coated cuprous oxide nanoparticles of different sizes have been studied. Unlike bulk Cu2O, which shows diamagnetic behavior, the nanoparticles show superparamagnetic behavior. A superparamagnetic blocking temperature of 21 K is observed for 5 nm particles. A magnetic hysteresis loop with a coercivity of 406 Oe is observed for these particles at 5 K. The magnetization and the coercivity increase with decreasing particle size. The superparamagnetic behavior, along with the increase in magnetization and coercivity with decreasing particle size, is due to the enhanced surface contributions to the magnetism. (C) 2009 Elsevier Ltd. All rights reserved.

}, keywords = {Chemical synthesis, Cuprous oxide, magnetic properties, Nanoparticles}, issn = {0038-1098}, doi = {10.1016/j.ssc.2009.09.013}, author = {Mahajan, Mangesh B. and Pavan, M. S. and Joy, Pattayil Alias} } @article { ISI:000264644800018, title = {Ferromagnetic to spin glass cross over in (La,Tb)(2/3)Ca1/3MnO3}, journal = {Solid State Sciences}, volume = {11}, number = {3}, year = {2009}, month = {MAR}, pages = {714-718}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

In the series La2/3-xTbxCa1/3MnO3, it is known that the compositions are ferromagnetic for smaller values of x and show spin glass characteristics at larger values of x. Our studies on the magnetic properties of various compositions in the La2/3-xTbxCa1/3MnO3 series show that the cross over from ferromagnetic to spin glass region takes place above x approximate to 1/8. Also, a low temperature anomaly at 30 K, observed in the ac susceptibility curves, disappears for compositions above this critical value of x. A mixed phase region coexists in the narrow compositional range 0.1 \<= x \<= 0.125, indicating that the ferromagnetic to spin glass cross over is not abrupt. (C) 2008 Elsevier Masson SAS. All rights reserved.

}, keywords = {Ferromagnetism, Magnetic clusters, Manganites, perovskite, Spin glass}, issn = {1293-2558}, doi = {10.1016/j.solidstatesciences.2008.10.002}, author = {Sankar, C. Raj and Vijayanand, S. and Joy, Pattayil Alias} } @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:000267498700010, title = {Field emission investigation of single Fe-doped SnO2 wire}, journal = {Solid State Sciences}, volume = {11}, number = {6}, year = {2009}, month = {JUN}, pages = {1114-1117}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {Current stability, Fe doped, field emission, SnO2}, issn = {1293-2558}, doi = {10.1016/j.solidstatesciences.2009.02.011}, author = {Bhise, Ashok B. and Late, Dattatray J. and Sathe, Bhaskar R. and More, Mahendra A. and Mulla, Imtiaz S. and Pillai, Vijayamohanan K. and Joag, Dilip S.} } @article { ISI:000271238900027, title = {Field emission properties of Al-doped ZnO nanostructures}, journal = {Journal of Nano Research}, volume = {5}, year = {2009}, month = {JAN}, pages = {231-237}, publisher = {TRANS TECH PUBLICATIONS LTD}, address = {LAUBISRUTISTR 24, STAFA-ZUERICH, CH-8712, SWITZERLAND}, abstract = {

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

}, keywords = {field emission, Fowler-Nordheim plots, Nanostructures, ZnO}, issn = {1662-5250}, author = {Navale, Shalaka C. and Sheini, Farid Jamali and Patil, Sandip S. and Mulla, Imtiaz S. and Joag, Dilip S. and More, Mahendra A. and Gosavi, Suresh W.} } @article { ISI: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:000273709600061, title = {Gas sensing properties of magnesium ferrite prepared by co-precipitation method}, journal = {Journal of Alloys and Compounds}, volume = {488}, number = {1}, year = {2009}, month = {NOV}, pages = {270-272}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Polycrystalline magnesium ferrite (MgFe(2)O(4)) was prepared by the co-precipitation method. The synthesized compound was characterized for their phase and morphology by X-ray diffraction and scanning electron microscopy, respectively. Conductance responses of the (MgFe(2)O(4)) were measured towards gases like hydrogen sulfide (H(2)S), liquefied petroleum gas (LPG), ethanol vapors (C(2)H(5)OH), SO(x), H(2), NO(x), NH(3), methanol, acetone and petrol. The gas sensing characterstics were obtained by measuring the sensitivity as a function of various controlling factors like operating temperatures and concentrations of gases. It was found that the sensor exhibited various responses towards these gases at different operating temperatures. Furthermore; the MgFe(2)O(4) based sensor exhibited a fast response and a good recovery towards petrol at temperature 250 degrees C. The results of the response towards petrol reveal that (MgFe(2)O(4)) synthesized by a simple co-precipitation method, would be a suitable material for the fabrication of the petrol sensor. (C) 2009 Published by Elsevier B.V.

}, keywords = {Ferrites, Gas sensor, X-ray diffraction and scanning electron microscopy}, issn = {0925-8388}, doi = {10.1016/j.jallcom.2009.08.103}, author = {Hankare, P. P. and Jadhav, S. D. and Sankpal, U. B. and Patil, R. P. and Sasikala, R. and Mulla, Imtiaz S.} } @article { ISI:000271103500011, title = {Heterogeneous cobalt-saponite catalyst for liquid phase air oxidation of p-cresol}, journal = {Industrial \& Engineering Chemistry Research}, volume = {48}, number = {21}, year = {2009}, month = {NOV}, pages = {9423-9427}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

}, issn = {0888-5885}, doi = {10.1021/ie801941e}, author = {Kshirsagar, Vikas S. and Garade, Ajit C. and Patil, Kashinath R. and Jha, Ratnesh Kumar and Rode, Chandrashekhar V.} } @article { ISI:000269337500015, title = {Highly diastereoselective 1,3-dipolar cycloaddition of a D-galactose-derived nitrone with dimethyl maleate: synthesis of polyhydroxylated perhydroazaazulenes}, journal = {Synlett}, number = {12}, year = {2009}, month = {JUL}, pages = {1959-1963}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

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

}, keywords = {1, 3-dipolar nitrone olefin cycloaddition (DNOC), diastereoselectivity, Iminosugars, inhibitors, nitrone}, issn = {0936-5214}, doi = {10.1055/s-0029-1217541}, author = {Bande, Omprakash P. and Jadhav, Vrushali H. and Puranik, Vedavati G. and Dhavale, Dilip D.} } @article { ISI:000278806800025, title = {Identification of defensins employing recurrence quantification analysis and random forest classifiers}, journal = {Pattern Recognition and Machine Intelligence, Proceedings}, volume = {5909}, year = {2009}, note = {3rd International Conference on Pattern Recognition and Machine Intelligence, IIT Delhi, New Delhi, INDIA, DEC 16-20, 2009}, month = {DEC}, pages = {152-157}, publisher = {ISI Kolkata}, address = {HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY}, abstract = {

Defensins represent a class of antimicrobial peptides synthesized in the body acting against various microbes. In this paper we study defensins using a non-linear signal analysis method Recurrence Quantication Analysis (RQA). We used the descriptors calculated employing RQA for the classification of defensins with Random Forest Classifier. The RQA descriptors were able to capture patterns peculiar to defensins leading to an accuracy rate of 78.12\% using 10-fold cross validation.

}, isbn = {978-3-642-11163-1}, issn = {0302-9743}, author = {Karnik, Shreyas and Prasad, Ajay and Diwevedi, Alok and Sundararajan, V. and Jayaraman, Valadi K.}, editor = {Chaudhury, S. and Mitra, S. and Murthy, C. A. and Sastry, P. S. and Pal, S. K.} } @article { ISI:000278806800024, title = {Identification of N-glycosylation sites with sequence and structural features employing random forests}, journal = {Pattern Recognition and Machine Intelligence, Proceedings}, volume = {5909}, year = {2009}, note = {3rd International Conference on Pattern Recognition and Machine Intelligence, IIT Delhi, New Delhi, INDIA, DEC 16-20, 2009}, month = {DEC}, pages = {146-151}, publisher = {ISI Kolkata}, address = {HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY}, abstract = {

N-Glycosylation plays a very important role in various processes like quality control of proteins produced in ER, transport of proteins and in disease control. The experimental elucidation of N-Glycosylation sites is expensive and laborious process. In this work we build models for identification of potential N-Glycosylation sites in proteins based on sequence and structural features. The best model has cross validation accuracy rate of 72.81\%.

}, isbn = {978-3-642-11163-1}, issn = {0302-9743}, author = {Karnik, Shreyas and Mitra, Joydeep and Singh, Arunima and Kulkarni, B. D. and Sundarajan, V. and Jayaraman, Valadi K.}, editor = {Chaudhury, S. and Mitra, S. and Murthy, C. A. and Sastry, P. S. and Pal, S. K.} } @article { ISI:000264092400030, title = {Impact of zinc substitution on the structural and magnetic properties of chemically derived nanosized manganese zinc mixed ferrites}, journal = {Journal of Magnetism and Magnetic Materials}, volume = {321}, number = {8}, year = {2009}, month = {APR}, pages = {1092-1099}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {Manganese zinc ferrite}, issn = {0304-8853}, doi = {10.1016/j.jmmm.2008.10.031}, author = {Gopalan, E. Veena and Al-Omari, I. A. and Malini, K. A. and Joy, Pattayil Alias and Kumar, D. Sakthi and Yoshida, Yasuhiko and Anantharaman, Maliemadom R.} } @article { ISI:000263733200020, title = {In situ observation of antibiotic mediated concurrent growth of two distinct homogeneous populations of gold nanoparticles in solution phase}, journal = {Journal of Physical Chemistry C}, volume = {113}, number = {9}, year = {2009}, month = {MAR}, pages = {3478-3486}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

We report the observation of the unusual nucleation and growth kinetics of gold nanoparticles synthesized in the presence of the antibiotic cephalexin using in situ static and dynamic light scattering in conjunction with in situ UV-vis absorption measurements and transmission electron microscopy. Following a brief latency period, two well-separated populations of gold nanoparticles, with average sizes of 1-2 nm versus several tens of nanometer, respectively, nucleate simultaneously. For either size regime, the total number of particles increased rapidly, while their mean size and relative frequency remained essentially constant over a growth period of 5 h. With increasing temperature, the morphology of the larger nanoparticles became increasingly spherical, as indicated by the noticeable blue shift of the plasmon frequency for these particles. The detailed morphology for either particle population was confirmed with TEM. To our knowledge, this is the first observation of simultaneous growth of two distinct populations of crystalline nanoparticles in the solution phase. The coupled growth of two distinct populations of nuclei, their tight control of size but rapid increase in overall numbers present novel and intriguing facets of this antibiotic-mediated solution-growth of gold nanoparticles. The size evolution of the Mie-frequency exhibits a noticeable blue shift as the temperature increases, correlating with the roundness of the particle/bimodal distribution.

}, issn = {1932-7447}, doi = {10.1021/jp808205y}, author = {Jagannathan, Ramya and Parmar, Avanish Singh and Adyanthaya, Suguna D. and Prabhune, Asmita and Muschol, Martin and Poddar, Pankaj} } @article { ISI:000270410800024, title = {Influence of process variables on growth of ZnO nanowires by cathodic electrodeposition on zinc substrate}, journal = {Thin Solid Films}, volume = {517}, number = {24}, year = {2009}, month = {OCT}, pages = {6605-6611}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Influence of the deposition duration and electrolyte concentration on the structural and morphological features of the ZnO thin films, grown by cathodic electrodeposition on zinc substrate followed by annealing in air at 400 degrees C, have been investigated. The surface morphology of the as-synthesized films shows two distinct features, presence of {\textquoteleft}2-dimensional nanosheets{\textquoteright} on the area near the electrolyte-air interface and {\textquoteleft}granular{\textquoteright} nanostructures, below the interface region. However, upon annealing, the formation of ZnO nanowires, possessing length of several microns and diameter less than 20 nm, on the entire substrate is observed. The X-ray and selected area electron diffraction patterns clearly confirm the polycrystalline nature of the ZnO nanowires. (C) 2009 Elsevier B.V. All rights reserved.

}, keywords = {Annealing, Electrodeposition, Nanowires, photoluminescence, scanning electron microscopy, transmission electron microscopy, Zinc oxide}, issn = {0040-6090}, doi = {10.1016/j.tsf.2009.04.046}, author = {Sheini, Farid Jamali and Mulla, Imtiaz S. and Joag, Dilip S. and More, Mahendra A.} } @article { ISI:000268022700058, title = {Magnetic and dielectric properties of nanophase manganese-substituted lithium ferrite}, journal = {Journal of Magnetism and Magnetic Materials}, volume = {321}, number = {19}, year = {2009}, month = {OCT}, pages = {3270-3273}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Nanocrystalline manganese-substituted lithium ferrites viz. Li0.5Fe2.5-xMnxO4 (2.5 \<= x \>= 0) were prepared by sol-gel autocombustion method. X-ray diffraction analysis confirmed that as the concentration of manganese increases the cubic phase changes to the tetragonal phase. The variation of saturation magnetization was studied as a function of manganese content. All the compositions indicate that they are ferrimagnetic in nature. The dielectric constant, dielectric loss tangent and ac conductivity of all samples were measured at room temperature as a function of frequency. These parameters decrease with increase in frequency for all of the samples. The substitution of manganese plays an important role in changing the structural and magnetic properties of these ferrites. The compositional variation of dielectric constant and d.c. resistivity shows an inverse trend of variation with each other. (C) 2009 Elsevier B.V. All rights reserved.

}, keywords = {dielectric constant, Ferrite, Magnetization, X-ray diffraction}, issn = {0304-8853}, doi = {10.1016/j.jmmm.2009.05.074}, author = {Hankare, P. P. and Patil, R. P. and Sankpal, U. B. and Jadhav, S. D. and Mulla, Imtiaz S. and Jadhav, K. M. and Chougule, B. K.} } @article { ISI:000269638800052, title = {Magnetic characteristics of nanocrystalline multiferroic BiFeO3 at low temperatures}, journal = {Physical Review B}, volume = {80}, number = {6}, year = {2009}, month = {AUG}, pages = {064423}, publisher = {AMER PHYSICAL SOC}, address = {ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA}, abstract = {

The magnetic characteristics of nanocrystalline BiFeO3 with average crystallite sizes of similar to 50 and similar to 100 nm are evaluated by studying the temperature and field dependence of magnetization at low temperatures. Different properties such as magnetization, coercivity, and remanence show evidence for changes in the magnetic properties associated with the phase transitions at low temperatures, reported from Raman studies. Detailed field-cooled and zero-field-cooled magnetization measurements show that the likely origin of the changes in the magnetic characteristics is from the changes in the domain structure.

}, keywords = {bismuth compounds, coercive force, crystallites, magnetic domains, magnetic transitions, Multiferroics, Nanostructured materials, Raman spectra, remanence}, issn = {1098-0121}, doi = {10.1103/PhysRevB.80.064423}, author = {Vijayanand, S. and Mahajan, Mangesh B. and Potdar, H. S. and Joy, Pattayil Alias} } @article { ISI:000264991100040, title = {Mass transfer and solubility of CO and H-2 in ionic liquid. case of [Bmim][PF6] with gas-inducing stirrer reactor}, journal = {Industrial \& Engineering Chemistry Research}, volume = {48}, number = {8}, year = {2009}, month = {APR}, pages = {4075-4082}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Since the past decade, ionic liquids have gained significant importance as alternative solvents for catalysis applications. Many of the reactions evaluated in ionic liquids employ gases as substrates, and therefore it is important to know their solubility and mass transfer characteristics. This work reports for the first time both the solubility and volumetric gas-liquid mass transfer coefficient k(La) for hydrogen and carbon monoxide in 1-n-butyl-3-methylimidazolium hexafluorophosphate ([Bmim][PF6]) at three temperatures (293, 323, and 373 K) in relevance to hydroformylation reaction. The experimental data on the volumetric gas-liquid mass transfer coefficient are described by a dimensionless correlation for the bench-scale stirred tanks with gas-inducing impeller. k(La) values have also been evaluated for different [Bmim][PF6]-decane emulsions at 373 K.

}, issn = {0888-5885}, doi = {10.1021/ie801584p}, author = {Sharma, Amit and Julcour, Carine and Kelkar, Ashutosh A. and Deshpande, Raj Madhukar and Delmas, Henri} } @article { ISI:000272936400005, title = {Mechanistic study of surface functionalization of enzyme lysozyme synthesized Ag and Au nanoparticles using surface enhanced raman spectroscopy}, journal = {Journal of Physical Chemistry C}, volume = {113}, number = {52}, year = {2009}, month = {DEC}, pages = {21493-21500}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The fate of bioactivity of biomolecules such as enzymes, proteins, and even drug molecules is greatly affected by the conformational changes in the proximity of the solid surfaces. This interaction is the key to the potential of their further applications as biosensors, in drug delivery, etc. With increasing interest in the biofunctionalization of noble metal nanoparticles for various applications, it is important to precisely investigate the functional groups responsible for binding with the nanoparticle surfaces and probable structural changes in the structure of the biomolecules as both are key factors affecting the bioactivity of these molecules once they are tagged onto the nanoparticle surfaces. However, it is not an easy task to probe these properties, especially for bigger Molecules such as enzymes and proteins. Surface-enhanced Raman spectroscopy (SERS) has been used extensively in the detection of biomolecules and study of their conformation on noble metal surfaces since its discovery because of its high sensitivity. This technique is capable of detecting changes in the secondary structure and the effects of surrounding environment on the biomolecule in the proximity of nanoscopic rough metal surfaces. In this study, we have used this technique to precisely determine the functional groups responsible in the Surface capping of Ag and Au nanoparticles synthesized by the hen egg derived enzyme lysozyme. The sharp and intense Stokes Raman shift peaks observed around 704, 866, 1519, and 1598 cm(-1), in the case of Ag nanoparticles, which are assigned to tryptophan, tyrosine, phenylalanine, and histidine residues, clearly indicate the involvement of these residues for surface passivation of the Ag nanoparticle surface. The Ag-N peak situated around 236 cm(-1) was also seen in the spectra, showing that probably the amine group of lysozyme is responsible in binding to the Ag nanoparticle surface. Similarly, in the case of Au nanoparticles, we observed sharp and intense peaks around 1583, 1545, and 1584 cm(-1) which were assigned to above-mentioned amino acid residues, indicating that a similar mechanism is also responsible for the binding of lysozyme molecules at the Au nanoparticle surface. In both cases peaks for the amide III band (C-N-H) around 1250 cm(-1) were also observed.

}, issn = {1932-7447}, doi = {10.1021/jp905806t}, author = {Das, Raja and Jagannathan, Ramya and Sharan, Chandrashekhar and Kumar, Umesh and Poddar, Pankaj} } @article { ISI:000265398300016, title = {Media optimization for biosurfactant production by rhodococcus erythropolis MTCC 2794: artificial intelligence versus a statistical approach}, journal = {Journal of Industrial Microbiology \& Biotechnology}, volume = {36}, number = {5}, year = {2009}, month = {MAY}, pages = {747-756}, publisher = {SPRINGER HEIDELBERG}, address = {TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY}, abstract = {

This paper entails a comprehensive study on production of a biosurfactant from Rhodococcus erythropolis MTCC 2794. Two optimization techniques-(1) artificial neural network (ANN) coupled with genetic algorithm (GA) and (2) response surface methodology (RSM)-were used for media optimization in order to enhance the biosurfactant yield by Rhodococcus erythropolis MTCC 2794. ANN and RSM models were developed, incorporating the quantity of four medium components (sucrose, yeast extract, meat peptone, and toluene) as independent input variables and biosurfactant yield [calculated in terms of percent emulsification index (\% EI24)] as output variable. ANN-GA and RSM were compared for their predictive and generalization ability using a separate data set of 16 experiments, for which the average quadratic errors were similar to 3 and similar to 6\%, respectively. ANN-GA was found to be more accurate and consistent in predicting optimized conditions and maximum yield than RSM. For the ANN-GA model, the values of correlation coefficient and average quadratic error were similar to 0.99 and similar to 3\%, respectively. It was also shown that ANN-based models could be used accurately for sensitivity analysis. ANN-GA-optimized media gave about a 3.5-fold enhancement in biosurfactant yield.

}, keywords = {Artificial neural network, Biosurfactant, Genetic algorithm, Media optimization, Response surface methodology, Rhodococcus}, issn = {1367-5435}, doi = {10.1007/s10295-009-0547-6}, author = {Pal, Moumita P. and Vaidya, Bhalchandra K. and Desai, Kiran M. and Joshi, Renuka M. and Nene, Sanjay N. and Kulkarni, Bhaskar D.} } @article { ISI:000272591100003, title = {Multiferroic behavior of gd based manganite}, journal = {Ferroelectrics}, volume = {392}, year = {2009}, month = {OCT}, pages = {PII 917324971}, publisher = {TAYLOR \& FRANCIS LTD}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {

Here we report the multiferroic nature of charge ordered manganite Gd0.5Sr0.5MnO3 for the first time. The temperature variation of dielectric constant shows broad relaxor type ferroelectric transition at around 210K and magnetization measurements shows weak ferromagnetism at 50K. The dielectric peak is very close to charge ordering temperature which is an evidence of the link between electronic state and increase of dielectric response. Butterfly variation of capacitance with voltage confirms ferroelectric nature of the sample at room temperature.

}, keywords = {dielectric constant, manganite, Multiferroic}, issn = {0015-0193}, doi = {10.1080/00150190903412408}, author = {Sagar, S. and Joy, Pattayil Alias and Anantharaman, Maliemadom R.} } @article { ISI:000269310700020, title = {Non-templated hydrothermal growth of anisotropic magnetite nanostructures using hexamine as the directing agent}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {9}, number = {10}, year = {2009}, month = {OCT}, pages = {5823-5828}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {25650 NORTH LEWIS WAY, STEVENSON RANCH, CA 91381-1439 USA}, abstract = {

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

}, keywords = {Anisotropic Nanostructures, Hexamine, hydrothermal, magnetite, Mossbauer}, issn = {1533-4880}, doi = {10.1166/jnn.2009.1244}, author = {Bhagwat, S. V. and Jouen, Samuel and Kundaliya, D. C. and Singh, H. and Jagadale, Tushar C. and Athawale, A. A. and Lofland, S. E. and Hannoyer, Beatrice and Ogale, Satishchandra B.} } @article { ISI:000265933700042, title = {Origin of high room temperature ferromagnetic moment of nanocrystalline multiferroic BiFeO3}, journal = {Applied Physics Letters}, volume = {94}, number = {18}, year = {2009}, month = {MAY}, pages = {182507}, publisher = {AMER INST PHYSICS}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {

Single phase nanocrystalline BiFeO3 of average crystallite size similar to 25 nm with very high magnetization at room temperature is synthesized by an autocombustion method. Magnetic measurements above room temperature show deviation between field cooled and zero field cooled magnetization below 645 K, the Neel temperature (T-N) of the bulk material, indicating intrinsic nature of ferromagnetism. However, observation of a broad magnetic transition above T-N of BiFeO3 and extended up to 800 K suggests the presence of Fe3O4 as a possible magnetic impurity phase. Evidence for the presence of Fe3O4 is obtained from detailed analysis of the powder x-ray diffraction pattern.

}, keywords = {bismuth compounds, Combustion synthesis, crystallites, ferromagnetic materials, high-temperature effects, magnetic impurities, Magnetic moments, Magnetisation, Multiferroics, Nanostructured materials, Neel temperature, X-ray diffraction}, issn = {0003-6951}, doi = {10.1063/1.3132586}, author = {Vijayanand, S. and Potdar, H. S. and Joy, Pattayil Alias} } @article { ISI:000268215200017, title = {Polypyrrole functionalized with FePcTSA for NO(2) sensor application}, journal = {Sensors and Actuators B-Chemical}, volume = {140}, number = {2}, year = {2009}, month = {JUL}, pages = {439-444}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

The nitrogen dioxide (NO(2)) sensing capability of polypyrrole (PPy) was enhanced dramatically after functionalized with iron(III)phthalocyanine-4,4{\textquoteright},4 {\textquoteleft}{\textquoteright},4{\textquoteright}{\textquoteright}{\textquoteright}-tetrasulfonic acid monosodium salt (FePcTSA). The incorporated phthalocyanine was confirmed by different characterization techniques such as UV-vis spectroscopy, FTIR, GFAAS, EDAX, etc. The resistance of the functionalized PPy decreased spontaneously during exposure to NO(2) gas at room temperature. This material exhibited excellent stability, reversibility, and reproducibility. The lowest response time (t(50)) thus obtained is 47 s with a highest response factor (Delta R/R(0) x 100) of 50.25. (C) 2009 Elsevier B.V. All rights reserved.

}, keywords = {Chemical sensor, Fe(III)phthalocyanine tetrasulfonate, Nitrogen dioxide, polypyrrole}, issn = {0925-4005}, doi = {10.1016/j.snb.2009.04.043}, author = {Paul, Santhosh and Joseph, Michael} } @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 {42455, title = {Reactions of morita-baylis-hillman acetates with huisgen zwitterions: a novel strategy for the synthesis of ?-amino acid derivatives}, journal = {Synthesis}, year = {2009}, month = {APR}, pages = {1829{\textendash}1833}, abstract = {

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

}, keywords = {b-amino acid, Huisgen zwitterion, Morita{\textendash}Baylis{\textendash}Hillman acetate}, doi = {10.1055/s-0028-1088063}, author = {Jose, Anu and Paul, Rony Rajan and Mohan, Resmi and Mathew, Smitha C. and Biju, Akkattu T. and Eringathodi, Suresh and Nair, Vijay} } @article { ISI:000267728000002, title = {Relative reactivity of hydroxyl groups in inositol derivatives: role of metal ion chelation}, journal = {Carbohydrate Research}, volume = {344}, number = {10}, year = {2009}, month = {JUL}, pages = {1159-1166}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

O-Alkylation of myo-inositol derivatives containing more than one hydroxyl group via their alkali metal alkoxides (sodium or lithium) preferentially occurs at a hydroxyl group having a vicinal cis-oxygen atom. In general the observed selectivity is relatively higher for lithium alkoxides than for the corresponding sodium alkoxide. The observed regioselectivity is also dependent on other factors such as the solvent and reaction temperature. A perusal of the results presented in this article as well as those available in the literature suggests that chelation of metal ions by inositol derivatives plays a significant role in the observed regioselectivity. Steric factors associated with the axial or equatorial disposition of the reacting hydroxyl groups do not contribute much to the outcome of these O-alkylation reactions. These results could serve as guidelines in planning synthetic strategies involving other carbohydrates and their derivatives. (C) 2009 Elsevier Ltd. All rights reserved.

}, keywords = {Carbohydrate, Chelation, Cyclitol, Inositol, Protecting group}, issn = {0008-6215}, doi = {10.1016/j.carres.2009.04.007}, author = {Devaraj, Subramanian and Jagdhane, Rajendra C. and Shashidhar, Mysore S.} } @article {42778, title = {Responsive assemblies and microgel-based materials}, journal = {Chemical Society Reviews}, volume = {38}, year = {2009}, month = {2009}, pages = {865-874}, author = {Lyon, L. Andrew and Meng, Z. and Singh, Neetu and Sorrell, C. D. and John, A.} } @article { ISI:000266525900010, title = {Review on lazy learning regressors and their applications in QSAR}, journal = {Combinatorial Chemistry \& High Throughput Screening}, volume = {12}, number = {4}, year = {2009}, month = {MAY}, pages = {440-450}, publisher = {BENTHAM SCIENCE PUBL LTD}, address = {EXECUTIVE STE Y26, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB EMIRATES}, abstract = {

Building accurate quantitative structure-activity relationships (QSAR) is important in drug design, environmental modeling, toxicology, and chemical property prediction. QSAR methods can be utilized to solve mainly two types of problems viz., pattern recognition, (or classification) where output is discrete (i.e. class information), e. g., active or non-active molecule, binding or non-binding molecule etc., and function approximation, (i.e. regression) where the output is continuous (e.g., actual activity prediction). The present review deals with the second type of problem (regression) with specific attention to one of the most effective machine learning procedures, viz. lazy learning. The methodologies of the algorithm along with the relevant technical information are discussed in detail. We also present three real life case studies to briefly outline the typical characteristics of the modeling formalism.

}, keywords = {classification, lazy learning, machine learning, Quantitative structure activity relationship (QSAR), regression}, issn = {1386-2073}, author = {Kulkarni, Abhijit J. and Jayaraman, Valadi K. and Kulkarni, Bhaskar D.} } @article { ISI:000269017700010, title = {Self-assembled cylindrical and vesicular molecular templates for polyaniline nanofibers and nanotapes}, journal = {Journal of Physical Chemistry B}, volume = {113}, number = {34}, year = {2009}, month = {AUG}, pages = {11614-11624}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

}, issn = {1520-6106}, doi = {10.1021/jp9043418}, author = {Anilkumar, P. and Jayakannan, M.} } @article { ISI:000271103500021, title = {Self-similar dynamics of a flexible ring polymer in a fixed obstacle environment: a coarse-grained molecular model}, journal = {Industrial \& Engineering Chemistry Research}, volume = {48}, number = {21}, year = {2009}, month = {NOV}, pages = {9514-9522}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

}, issn = {0888-5885}, doi = {10.1021/ie900535v}, author = {Iyer, Balaji V. S. and Lele, Ashish K. and Juvekar, Vinay A. and Mashelkar, Raghunath Anant} } @article { ISI:000268726500015, title = {Simple and efficient enzymatic transglycosylation of stevioside by beta-cyclodextrin glucanotransferase from Bacillus firmus}, journal = {Biotechnology Letters}, volume = {31}, number = {9}, year = {2009}, note = {13th International Biotechnology Symposium and Exhibition (IBS-2008), Dalian, PEOPLES R CHINA, OCT 12-17, 2008}, month = {SEP}, pages = {1415-1420}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

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

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

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

}, keywords = {Dielectric, Ferrite, magnetic properties, Nanocomposite, Nanocrystalline, permeability}, issn = {1947-2935}, doi = {10.1166/sam.2009.1053}, author = {Deka, Sasanka and Joy, Pattayil Alias and Kumar, A. Pratheep} } @article { ISI:000262987800024, title = {Solid state synthesis and room temperature magnetic properties of iron phosphide nanoparticles}, journal = {Journal of Nanoparticle Research}, volume = {11}, number = {2}, year = {2009}, month = {FEB}, pages = {491-497}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

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

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

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

}, issn = {0888-5885}, doi = {10.1021/ie801858a}, author = {Sardeshpande, Madhavi V. and Sagi, Aparna R. and Juvekar, Vinay A. and Ranade, Vivek V.} } @article { ISI:000271603000046, title = {Stereo-controlled approach to pyrrolidine iminosugar C-glycosides and 1,4-dideoxy-1,4-imino-L-allitol using a D-mannose-derived cyclic nitrone}, journal = {Tetrahedron Letters}, volume = {50}, number = {49}, year = {2009}, month = {DEC}, pages = {6906-6908}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {Cyclic nitrone, Enzyme inhibitors, Iminosugars, pyrrolidine}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2009.09.139}, author = {Bande, Omprakash P. and Jadhav, Vrushali H. and Puranik, Vedavati G. and Dhavale, Dilip D. and Lombardo, Marco} } @article { ISI:000271542900148, title = {On the structural, magnetic and electrical properties of sol-gel derived nanosized cobalt ferrite}, journal = {Journal of Alloys and Compounds}, volume = {485}, number = {1-2}, year = {2009}, month = {OCT}, pages = {711-717}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

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

}, keywords = {Electronic Transport, Magnetic measurements, Magnetically ordered materials, Nanostructures, Scanning and transmission electron microscopy, Sol-gel synthesis, X-ray diffraction}, issn = {0925-8388}, doi = {10.1016/j.jallcom.2009.06.033}, author = {Gopalan, E. Veena and Joy, Pattayil Alias and Al-Omari, I. A. and Kumar, D. Sakthi and Yoshida, Yasuhiko and Anantharaman, Maliemadom R.} } @article { ISI:000270275800002, title = {Study of dielectric behavior in PVDF/clay nanocomposites}, journal = {E-Polymers}, year = {2009}, month = {SEP}, pages = {112}, publisher = {EUROPEAN POLYMER FEDERATION}, address = {1, QUAI LEZAY-MARNESIA, F067000 STRASBOURG, FRANCE}, abstract = {

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

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

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

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

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

}, keywords = {Ag/Al2O3, Aluminum sulphate, DRIFTS, Selective catalytic reduction, Silver sulphate, SiO2, Sulphur tolerance, TiO2}, issn = {0926-3373}, doi = {10.1016/j.apcatb.2009.04.001}, author = {Jagtap, Neelam and Shubhangi B. Umbarkar and Miquel, Pierre and Granger, Pascal and Dongare, Mohan K.} } @article { ISI:000265030500015, title = {Supramolecular ring banded prototype liquid crystalline oligo(phenylenevinylene)}, journal = {Journal of Physical Chemistry B}, volume = {113}, number = {15}, year = {2009}, month = {APR}, pages = {5083-5091}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

}, issn = {1520-6106}, doi = {10.1021/jp809994t}, author = {Amrutha, S. R. and Jayakannan, M.} } @article { ISI:000267784200012, title = {Susceptibility of aedes aegypti and culex quinquefasciatus larvae to gedunin-related limonoids}, journal = {Chemistry \& Biodiversity}, volume = {6}, number = {6}, year = {2009}, month = {JUN}, pages = {897-902}, publisher = {WILEY-V C H VERLAG GMBH}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {

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

}, issn = {1612-1872}, author = {Gurulingappa, Hallur and Tare, Vrushali and Pawar, Pushpa and Tungikar, Vijay and Jorapur, Yogesh R. and Madhavi, Sriram and Bhat, Sujata V.} } @article { ISI:000267994500002, title = {Synthesis and characterization of novel schiff base polyurethanes}, journal = {Journal of Applied Polymer Science}, volume = {113}, number = {5}, year = {2009}, month = {SEP}, pages = {2747-2754}, publisher = {JOHN WILEY \& SONS INC}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

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

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

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

}, issn = {0022-3263}, doi = {10.1021/jo900660q}, author = {Jadhav, Vrushali H. and Bande, Omprakash P. and Pinjari, Rahul V. and Gejji, Shridhar P. and Puranik, Vedavati G. and Dhavale, Dilip D.} } @article { ISI:000263163200021, title = {Synthesis and self-organization properties of copolyurethanes based on perylenediimide and naphthalenediimide units}, journal = {Journal of Polymer Science Part A-Polymer Chemistry}, volume = {47}, number = {4}, year = {2009}, month = {FEB}, pages = {1224-1235}, publisher = {JOHN WILEY \& SONS INC}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

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

}, keywords = {fluorescence, hydrogen bonding, naphthalene diimide polymers, polyurethane copolymer, self-organization, structure-property relations}, issn = {0887-624X}, doi = {10.1002/pola.23233}, author = {Jancy, B. and Asha, S. K.} } @article { ISI:000265237700014, title = {Synthesis, characterization and catalytic performance of Sn-MCM-48 in solvent-free Mukaiyama-type aldol condensation reactions}, journal = {Applied Catalysis A-General}, volume = {358}, number = {1}, year = {2009}, month = {APR}, pages = {88-94}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {Characterization, heterogeneous catalysis, Hydrothermal synthesis, Mesoporous molecular sieves, Mukaiyama-aldol condensation, Sn-MCM-48}, issn = {0926-860X}, doi = {10.1016/j.apcata.2009.02.001}, author = {Taralkar, U. S. and Kalita, Pranjal and Kumar, Rajiv and Joshi, P. N.} } @article { ISI:000265911700183, title = {Synthesis, characterization and effect of sintering temperature on magnetic properties of MgNi ferrite prepared by co-precipitation method}, journal = {Journal of Alloys and Compounds}, volume = {475}, number = {1-2}, year = {2009}, month = {MAY}, pages = {926-929}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

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

}, keywords = {Chemical synthesis, Ferrites, FT-IR, scanning electron microscopy, X-ray diffraction}, issn = {0925-8388}, doi = {10.1016/j.jallcom.2008.08.082}, author = {Hankare, P. P. and Jadhav, S. D. and Sankpal, U. B. and Chavan, Santosh S. and Waghmare, K. J. and Chougule, B. K.} } @article { ISI:000263216300005, title = {Synthesis of nickel-rubber nanocomposites and evaluation of their dielectric properties}, journal = {Materials Science and Engineering B-Advanced Functional Solid-State Materials}, volume = {156}, number = {1-3}, year = {2009}, month = {JAN}, pages = {24-31}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

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

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

}, keywords = {Aniline, Lewis acid, Methanol, N-methylaniline, Sn-MFI}, issn = {1011-372X}, doi = {10.1007/s10562-009-0143-4}, author = {Niphadkar, P. S. and Joshi, P. N. and Gurav, H. R. and Deshpande, Suvarna S. and Bokade, Vijay V.} } @article { ISI:000267367300016, title = {Synthesis of Si-MCM-41 from ternary SiO2-CTAOH-H2O system via dry gel conversion route}, journal = {Journal of Sol-Gel Science and Technology}, volume = {51}, number = {2}, year = {2009}, month = {AUG}, pages = {244-250}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

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

}, keywords = {Dry gel conversion, powder diffraction, Si-MCM-41, Sol-gel growth, Structural stability, Textural properties}, issn = {0928-0707}, doi = {10.1007/s10971-009-1969-3}, author = {Taralkar, U. S. and Niphadkar, P. S. and Joshi, P. N.} } @article { ISI:000263249600064, title = {Tin-silicalite-1: synthesis by dry gel conversion, characterization and catalytic performance in phenol hydroxylation reaction}, journal = {Materials Chemistry and Physics}, volume = {114}, number = {1}, year = {2009}, month = {MAR}, pages = {344-349}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

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

}, keywords = {crystallisation, Dry gel conversion, microporous materials, Sn-MFI}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2008.09.026}, author = {Niphadkar, Prashant S. and Kotwal, Mehejabeen S. and Deshpande, Shilpa S. and Bokade, Vijay V. and Joshi, Praphulla N.} } @article { ISI:000267531100032, title = {Transesterification of sunflower oil catalyzed by flyash-based solid catalysts}, journal = {Fuel}, volume = {88}, number = {9}, year = {2009}, month = {SEP}, pages = {1773-1778}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

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

}, keywords = {Flyash, heterogeneous catalyst, Methyl ester, Sunflower oil, transesterification}, issn = {0016-2361}, doi = {10.1016/j.fuel.2009.04.004}, author = {Kotwal, M. S. and Niphadkar, P. S. and Deshpande, Suvarna S. and Bokade, Vijay V. and Joshi, P. N.} } @article { 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: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:000273403400066, title = {Adsorption induced enzyme denaturation: the role of polymer hydrophobicity in adsorption and denaturation of alpha-chymotrypsin on allyl glycidyl ether (AGE)-ethylene glycol dimethacrylate (EGDM) copolymers}, journal = {Langmuir}, volume = {26}, number = {2}, year = {2010}, month = {JAN}, pages = {1096-1106}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Effects of changes in hydrophobicity of polymeric support oil structure and activity of alpha-chymotrypsin (E.C.3.4.21.1) have been studied with copolymers of allyl glycidyl ether (AGE) and ethylene glycol dimethacrylate (EGDM) with increasing molar ratio of EGDM to AGE (cross-link density 0.05 to 1.5). The enzyme is readily adsorbed front aqueous buffer at room temperature following Langmuir adsorption isotherms in unexpectedly large amounts (25\% w/w). Relative hydrophobicity of the copolymers has been assessed by studying adsorption of naphthalene and Fmoc-methionine by the series of copolymers from aqueous solutions. Polymer hydrophobicity appears to increase linearly oil increasing cross-link density from 0.05 to 0.25. Further increase in cross-link density Causes a decrease in naphthalene binding but has little effect on binding of Fmoc-Met. Binding of alpha-chymotrypsin to these copolymers follow the trend for Fmoc-methionine binding, rather than naphthalene binding, indicating involvement of polar interactions along with hydrophobic interactions during binding of protein to the polymer. The adsorbed enzyme undergoes extensive denaturation (ca. 80\%) with loss of both tertiary and secondary structure on contact with the copolymers as revealed by fluorescence, CID and Raman spectra of the adsorbed protein. Comparison of enzyme adsorption behavior with Eupergit C, macroporous Amberlite XAD-2, and XAD-7 Suggests that polar interactions of the EGDM ester functional groups with the protein play a significant role in enzyme denaturation.

}, issn = {0743-7463}, doi = {10.1021/la904114u}, author = {Lahari, Challa and Jasti, Lakshmi Swarnalatha and Fadnavis, Nitin W. and Sontakke, Kalpana and Ingavle, Ganesh C. and Deokar, Sarika Babasaheb and Ponrathnam, Surendra} } @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.} } @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:000282188800021, title = {Colossal thermoelectric power in Gd-Sr manganites}, journal = {EPL}, volume = {91}, number = {1}, year = {2010}, month = {JUL}, pages = {17008}, publisher = {EPL ASSOCIATION, EUROPEAN PHYSICAL SOCIETY}, address = {6 RUE DES FRERES LUMIERE, MULHOUSE, 68200, FRANCE}, abstract = {

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

}, issn = {0295-5075}, doi = {10.1209/0295-5075/91/17008}, author = {Sagar, S. and Ganesan, V. and Joy, Pattayil Alias and Thomas, Senoy and Liebig, A. and Albrecht, M. and Anantharaman, Maliemadom R.} } @article { ISI:000284052600021, title = {Covalently immobilized triphenylphosphine rhodium complex: synthesis, characterization, and application in catalytic olefin hydrogenation}, journal = {Chemcatchem}, volume = {2}, number = {11}, year = {2010}, month = {NOV}, pages = {1477-1482}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {

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

}, keywords = {alkenes, heterogeneous catalysis, Hydrogenation, mesoporous materials, Rhodium}, issn = {1867-3880}, doi = {10.1002/cctc.201000133}, author = {Wang, Lei and Jia, Mingjun and Shylesh, Sankaranarayanapillai and Philippi, Thomas and Seifert, Andreas and Ernst, Stefan and Singh, Anand Pal and Thiel, Werner R.} } @article { ISI:000278534900028, title = {D-(-)-Lactic acid production from cellobiose and cellulose by Lactobacillus lactis mutant RM2-24}, journal = {Green Chemistry}, volume = {12}, number = {6}, year = {2010}, month = {MAY}, pages = {1106-1109}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

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

}, issn = {1463-9262}, doi = {10.1039/b925975a}, author = {Singhvi, Mamta and Joshi, Dipti and Adsul, Mukund G. and Varma, Anjanikumar and Gokhale, Digambar V.} } @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:000278307300038, title = {Effect of additives on the co-electrodeposition of Sn-Ag-Cu lead-free solder composition}, journal = {Materials Science and Engineering B-Advanced Functional Solid-State Materials}, volume = {168}, number = {1-3, SI}, year = {2010}, note = {Conference on Specialty Advanced Materials and Polymers for Aerospace and Defense and Applications (SAMPADA-2008), Mat Res Soc Singapore, Singapore, SINGAPORE, JUL 03-08, 2005}, month = {APR}, pages = {219-223}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

We have developed a methane sulfonic acid (MSA) based ternary electrodeposition bath for the deposition of near eutectic Sn-Ag-Cu films aimed at solder bumping applications in electronics. The bath contains thiourea as chelating agent and iso-octyl phenoxy ethanol (OPPE) as surfactant. We added gelatin to this bath and studied its effect on bath stability, microstructure of the deposited films and the film composition. It is found that the bath containing both the additives, viz. OPPE and gelatin, show improved stability up to 8-10 days. Striking improvement in the film microstructure, in terms of the compactness, uniformity and refinement of grains was found when the bath contained these additives. Detailed electrochemical studies with the help of cyclic voltametry and impedance analysis helped in understanding the role played by these additives during deposition. It is confirmed that there is a formation of loosely connected, highly non-uniform passivating film on the cathode surface, which is removed competitively by the depositing metal ions during the deposition. It is also clear that the additives play a role in the formation of such a passivating film. (C) 2010 Elsevier B.V. All rights reserved.

}, keywords = {Additives, Lead-free solders, Sn-Ag-Cu, Solder bumping, Ternary bath}, issn = {0921-5107}, doi = {10.1016/j.mseb.2010.01.017}, author = {Joseph, Shany and Phatak, Girish J.} } @article { ISI:000274269700021, title = {Effect of reduced particle size on the magnetic properties of chemically synthesized BiFeO3 nanocrystals}, journal = {Journal of Physical Chemistry C}, volume = {114}, number = {5}, year = {2010}, month = {FEB}, pages = {2108-2115}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Here, we report the effect of reduction in particle size on the temperature dependent magnetization of chemically synthesized BiFeO3 nanocrystals with average grain size of 55 nm. The X-ray photoelectron spectroscopy results show a significant broadening of binding energy peaks associated to Fe3+ 2p(3/2) core levels due to the reduced size. Additionally, due to the nanosize effect, the M-H loops show a significant coercivity starting from 390 K with an anomaly located in the vicinity of 150 K in our H-c vs T as well as M-r/M-s(50 kOe) vs T curves. At this temperature, both H-c and M-r/M-s(50 kOe) undergo minima. Additionally, our results for the first time show the evidence of existence of a low temperature anomaly due to spin-glass transition in the range from 40-44 K in the field cooled magnetization curves. In bulk single crystals, this transition is reported to be situated at around 50 K, however, this transition remained so far undiscovered in the recent studies on BiFeO3 nanoparticles due to the insufficient temperature resolution. The significant shift in this transition toward lower temperature can be attributed to size dependent effects. Our results clearly present new information on the size dependent properties of BiFeO3 nanoparticles.

}, issn = {1932-7447}, doi = {10.1021/jp910745g}, author = {Jaiswal, Adhish and Das, Raja and Vivekanand, K. and Abraham, Priya Mary and Adyanthaya, Suguna D. and Poddar, Pankaj} } @article { ISI:000282792300030, title = {Efficient industrial dye decolorization by Bacillus sp. VUS with its enzyme system}, journal = {Ecotoxicology and Environmental Safety}, volume = {73}, number = {7}, year = {2010}, month = {OCT}, pages = {1696-1703}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

This work presents role of different enzymes in decolorization of industrial dye Orange T4LL by Bacillus sp. VUS. Bacillus sp. strain VUS decolorized dye Orange T4LL, under static anoxic condition in 24 h. During decolorization of Orange T4LL a significant induction in the activities of lignin peroxidase, tyrosinase, and reductases (NADH-DCIP, azo, and riboflavin) was observed. The biodegradation was monitored by Ultraviolet-visible spectroscopy, Fourier transform infrared spectroscopy, and high performance liquid chromatography. The final products 4-methyl-2-o-tolylazo-benzene-1,3-diamine and [3-(phenyl-hydrazono)-cyclohexa-1,4-dienyl]-methanol were characterized by gas chromatography-mass spectroscopy. Phytotoxicity, COD, and BUD revealed non-toxicity of degraded products. Phytotoxicity study demonstrated non-toxicity of the biodegraded products for crop plants with respect to Triticum aestivum and Sorghum bicolor. Bacillus sp. VUS with its enzyme system could be a useful tool for textile effluent treatment. (C) 2010 Elsevier Inc. All rights reserved.

}, keywords = {Decolorization, GC-MS, Lignin peroxidase, Orange T4LL, Phytotoxicity, Reductases}, issn = {0147-6513}, doi = {10.1016/j.ecoenv.2010.07.002}, author = {Dawkar, Vishal V. and Jadhav, Umesh U. and Tamboli, Dhawal P. and Govindwar, Sanjay P.} } @article { ISI:000275706100023, title = {Elucidation of the role of hexamine and other precursors in the formation of magnetite nanorods and their stoichiometry}, journal = {Physical Chemistry Chemical Physics}, volume = {12}, number = {13}, year = {2010}, month = {FEB}, pages = {3246-3253}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Hexamine is known to assist anisotropic growth of metal oxides and the same is also found to be true for magnetite nanosynthesis. In this work we elucidate the role of hexamine and other precursors in the formation of magnetite nanorods by the hydrothermal route and their stoichiometry. Various others hydrolyzing agents such as sodium hydroxide (NaOH), sodium hydroxide + hexamine, ammonia (NH(3)), ammonia + formaldehyde are also studied. The synthesized nanoparticles are characterized with the help of various techniques such as X-ray diffraction (XRD), FT-IR spectroscopy, UV-VIS-NIR spectroscopy, transmission electron microscopy (TEM), Mossbauer spectroscopy and SQUID magnetization measurements. It is found that only when ferric chloride, ferrous ammonium sulfate (FAS) and hexamine are used, well defined nanorods are formed. When sodium hydroxide and hexamine are used as a hydrolyzing system nearly spherical nanoparticles with small size (similar to 13 nm) are formed, as compared to the case of sodium hydroxide alone which leads to bigger cube like nanoparticles. Interestingly the decomposition products of hexamine do not lead to nanorod formation. Thus, slow decomposition of hexamine at elevated temperature and the consequent slow rise in pH is the key to the anisotropic growth of the iron oxide system.

}, issn = {1463-9076}, doi = {10.1039/b917407a}, author = {Singh, Hema and Bhagwat, Shrikant and Jouen, Samuel and Lefez, Benoit and Athawale, Anjali A. and Hannoyer, Beatrice and Ogale, Satishchandra} } @article { ISI:000278985800034, title = {Enantioselective synthesis of (R)-(+)-alpha-lipoic acid via proline-catalyzed sequential alpha-aminoxylation and HWE olefination of aldehyde}, journal = {Tetrahedron Letters}, volume = {51}, number = {27}, year = {2010}, month = {JUL}, pages = {3587-3589}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

An efficient enantioselective synthesis of (R)-(+)-alpha-lipoic acid is described, in high optical purity (\>97\% ee), using L-proline-catalyzed sequential alpha-aminoxylation and Horner-Wadsworth-Emmons olefination of aldehyde as the key step. (C) 2010 Elsevier Ltd. All rights reserved.

}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2010.05.007}, author = {Panchgalle, Sharad P. and Jogdand, Ganesh F. and Chavan, Subhash P. and Kalkote, Uttam R.} } @article { ISI:000278616800022, title = {Enantioselective synthesis of syn/anti-1,3-amino alcohols via proline-catalyzed sequential alpha-aminoxylation/alpha-amination and horner-wadsworth-emmons olefination of aldehydes}, journal = {Organic Letters}, volume = {12}, number = {12}, year = {2010}, month = {JUN}, pages = {2762-2765}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A novel and general method for asymmetric synthesis of both syn/anti-1,3-amino alcohols is described. The method uses proline-catalyzed sequential alpha-aminoxylation/alpha-amination and Horner-Wadsworth-Emmons (HWE) olefination of aldehydes as the key step. By using this method, a short synthesis of a bioactive molecule, (R)-1-((S)-1-methylpyrrolidin-2-yl)-5-phenylpentan-2-ol, is also accomplished.

}, issn = {1523-7060}, doi = {10.1021/ol100856u}, author = {Jha, Vishwajeet and Kondekar, Nagendra B. and Kumar, Pradeep} } @article { ISI:000274459600009, title = {Evidence for the co-existence of distorted tetrahedral and trigonal bipyramidal aluminium sites in SrAl12O19 from Al-27 NMR studies}, journal = {Solid State Communications}, volume = {150}, number = {5-6}, year = {2010}, month = {JAN}, pages = {262-266}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Strontium aluminate, SrAl12O19, is a ceramic material having the hexagonal magnetoplumbite-type structure, with multiple Al coordination environments. An earlier low-field Al-27 solid-state NMR study reported five different Al sites in this system: one AlO4, one AlO5, and three AlO6 sites; whereas a later high-field study showed that the AlO5 site is a distorted AlO4 site with a very large quadrupolar coupling constant (similar to 20 MHz). Our magic angle spinning (MAS) and 3-quantum magic angle spinning (3QMAS) NMR studies at 7.05 T unambiguously show evidence for an AlO5 site. However, evidence for the presence of a distorted AlO4 site is obtained from studies at high fields (16.4 and 17.6 T), in addition to the AlO5 site. Thus the present solid-state NMR studies give evidence for the simultaneous presence of both the five-coordinated and distorted four-coordinated sites in this system. (C) 2009 Elsevier Ltd. All rights reserved.

}, keywords = {Local structure, MQMAS, Nuclear magnetic resonance, Strontium aluminate}, issn = {0038-1098}, doi = {10.1016/j.ssc.2009.11.008}, author = {Harindranath, K. and Viswanath, K. Anusree and Chandran, C. Vinod and Braeuniger, Thomas and Madhu, Perunthiruthy K. and Ajithkumar, Thalasseril G. and Joy, Pattayil Alias} } @article { ISI:000275363900023, title = {Fabrication, characterization and electrochemical performance of single strand carbon fiber prepared by catalytic chemical vapor decomposition method}, journal = {Electrochimica Acta}, volume = {55}, number = {6}, year = {2010}, month = {FEB}, pages = {2022-2028}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Preparation, fabrication and voltammetric characterizations of a single strand of carbon fiber (SSCF) electrode and their potential applications for biosensor are presented. SSCFs of diameter ca. 10 +/- 2 mu m and few millimeters in length are prepared by catalytic chemical vapor decomposition (CCVD) method. Voltammetry with potassium ferricyanide. alpha-methylferrocene methanol and hexaammineruthenium(III) chloride on SSCF electrode are used as bench marks to validate the electrode properties. Quasi-steady state voltammograms obtained were fitted into a cylindrical diffusion model From which, the standard rate constant (k(0)) and electron transfer coefficient (alpha) are obtained. The use of SSCF electrode is demonstrated for the voltammetric detection of the micromolar quantity of dopamine in the presence of large excess (ca. 200 times) of ascorbic acid, without any fouling of electrode surface. The kinetics of electron transfer are investigated. (C) 2009 Elsevier Ltd All rights reserved.

}, keywords = {alpha-Methylferrocene methanol, Ascorbic acid, Catalytic chemical vapor decomposition (CCVD), Cylindrical diffusion, dopamine, Hexaammineruthenium(III) chloride, Single strand carbon fiber (SSCF) electrode}, issn = {0013-4686}, doi = {10.1016/j.electacta.2009.11.025}, author = {Joshi, Vrushali S. and Gokhale, Suresh P. and Patil, Kashinath R. and Haram, Santosh K.} } @article { ISI:000285413300005, title = {Fabrication of In-doped SnO2 nanowire arrays and its field emission investigations}, journal = {Journal of Experimental Nanoscience}, volume = {5}, number = {6}, year = {2010}, month = {DEC}, pages = {PII 931283663}, publisher = {TAYLOR \& FRANCIS LTD}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {

The field emission of In-doped SnO2 wire array has been performed in parallel plate diode configuration. A maximum current density of 60 mu A/cm2 is drawn from the emitter at an applied field of 4 V/mu m. The nonlinearity in the Fowler-Nordheim plot, characteristics of semiconductor emitter has been observed and explained on the basis of electron emission from both the conduction and the valence bands. The current stability recorded at a preset value of 1 mu A is observed to be good. The high emission current density, good current stability and mechanically robust nature of the wires offer unprecedented advantages as promising cold cathodes for many potential applications based on field emission.

}, keywords = {cold cathodes, device, Doping, field emission, Nanowires, SnO2}, issn = {1745-8080}, doi = {10.1080/17458081003671683}, author = {Bhise, Ashok B. and Late, Dattatray J. and Sathe, B. and More, Mahendra A. and Mulla, Imtiaz S. and Pillai, Vijayamohanan K. and Joag, Dilip S.} } @article { ISI:000273204100059, title = {Flexible microwave absorber based on nickel ferrite nanocomposite}, journal = {Journal of Alloys and Compounds}, volume = {489}, number = {1}, year = {2010}, month = {JAN}, pages = {297-303}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Flexible magnetic composite materials were prepared by incorporating precharacterized nickel ferrite nanoparticles in a natural rubber matrix. The complex dielectric permittivity and magnetic permeability of the composites were measured at different microwave frequencies using the cavity perturbation technique. A steady increase in dielectric permittivity was observed with increase in filler concentration. Maxwell-Garnett mixture equations were employed to model the effective permittivity and permeability of the composite. Reflection loss was estimated by employing the model of single layer absorber backed with a perfect conductor. Reflection loss minima of -5.9 dB at 3.2 GHz for 12 mm thick rubber ferrite composite sheet is obtained in the S-band while a loss up to -16 dB could be achieved at 9.5 GHz in the X-band. (C) 2009 Elsevier B.V. All rights reserved.

}, keywords = {Cavity perturbation, Complex permeability, Complex permittivity, Microwave absorber, Nanocomposites, Nickel ferrite}, issn = {0925-8388}, doi = {10.1016/j.jallcom.2009.09.077}, author = {Sunny, Vijutha and Kurian, Philip and Mohanan, P. and Joy, Pattayil Alias and Anantharaman, Maliemadom R.} } @article { ISI:000272071800042, title = {Flocculation of dimorphic yeast benjaminiella poitrasii is altered by modulation of NAD-glutamate dehydrogenase}, journal = {Bioresource Technology}, volume = {101}, number = {4}, year = {2010}, month = {FEB}, pages = {1393-1395}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

A strategy to control flocculation is investigated using dimorphic yeast, Benjaminiella poitrasii as a model. Parent form of this yeast (Y) exhibited faster flocculation (11.1 min) than the monomorphic yeast form mutant Y-5 (12.6 min). Atomic force microscopy revealed higher surface roughness of Y (439.34 rms) than Y-5 (52 rms). Also, the former had a zeta potential of -65.97 +/- 3.45 as against -50.21 +/- 2.49 for the latter. Flocculation of both Y and Y-5 could be altered by supplementing either substrates or inhibitor of NAD-glutamate dehydrogenase (NAD-GDH) in the growth media. The rate of flocculation was promoted by alpha-ketoglutarate or isophthalic acid and decelerated by glutamate with a statistically significant inverse correlation to corresponding NAD-GDH levels. These interesting findings open up new possibilities of using NAD-GDH modulating agents to control flocculation in fermentations for easier downstream processing. (C) 2009 Elsevier Ltd. All rights reserved.

}, keywords = {Benjaminiella poitrasii, dimorphism, flocculation, NAD-glutamate dehydrogenase}, issn = {0960-8524}, doi = {10.1016/j.biortech.2009.09.052}, author = {Joshi, C. V. and Ghormade, Vandana and Kunde, P. and Kulkarni, P. and Mamgain, H. and Bhat, Suresh K. and Paknikar, K. M. and Deshpande, Mukund V.} } @article { ISI:000272936000061, title = {Fluconazole analogues containing 2H-1,4-benzothiazin-3(4H)-one or 2H-1,4-benzoxazin-3(4H)-one moieties, a novel class of anti-Candida agents}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {20}, number = {2}, year = {2010}, month = {JAN}, pages = {722-725}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

As a part of our program to develop new antifungal agents, a series of fluconazole analogues was designed and synthesized wherein one of the triazole moieties in fluconazole was replaced with 2H-1,4-benzothiazin-3(4H)-one or 2H-1,4-benzoxazin-3(4H)-one moiety. The new chemical entities thus synthesized were screened against various fungi and it was observed that the compounds 4a and 4i are potent inhibitors of Candida strains. The structure-activity relationship for these compounds is discussed. (C) 2009 Elsevier Ltd. All rights reserved.

}, keywords = {antifungal, Benzothiazinone, Benzoxazinone, Fluconazole}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2009.11.071}, author = {Borate, Hanumant B. and Maujan, Suleman R. and Sawargave, Sangmeshwer P. and Chandavarkar, Mohan A. and Vaiude, Sharangi R. and Joshi, Vinay A. and Wakharkar, Radhika D. and Iyer, Ramki and Kelkar, Ramesh G. and Chavan, Subhash P. and Kunte, Sunita S.} } @article { ISI:000283453700016, title = {Fowler-nordheim plot behavior and mechanism of field electron emission from ZnO tetrapod structures }, journal = {ACS Nano}, volume = {4}, number = {10}, year = {2010}, month = {OCT}, pages = {5585-5590}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Field emission measurements of current-voltage characteristics are reported for tetrapod structures of ZnO. The nonlinear Fowler-Nordheim (FN) plot is analyzed according to a model of calculation based on saturation of conduction band current and predominance of valence band current at high-field values. The simulated FN plot exhibits similar features to those observed experimentally. The model of calculation suggests that the slope variation of the FN plot, in the high-field and low-field regions, does not depend on the magnitude of saturation. Instead, it is a characteristic of the energy band structure and voltage-to-barrier-field conversion factor of the emitting material.

}, keywords = {field emission, Fowler-Nordheim plot, Nanostructures, nonlinearity, ZnO}, issn = {1936-0851}, doi = {10.1021/nn1008403}, author = {Al-Tabbakh, Ahmed A. and More, Mahendra A. and Joag, Dilip S. and Mulla, Imtiaz S. and Pillai, Vijayamohanan K.} } @article { ISI:000208189304130, title = {Glycerine to renewable amino alcohol: reaction mechanism and kinetics of the catalytic reductive amination of hydroxyacetone}, journal = {Abstracts of Papers of the American Chemical Society}, volume = {239}, year = {2010}, month = {MAR}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, issn = {0065-7727}, author = {Arredondo, Victor M. and Gibson, Michael S. and Fairweather, Neil T. and Daniels, Angella C. and Kreuzer, David P. and Jaganathan, Rengaswamy} } @article { ISI:000281153600066, title = {High current density, low threshold field emission from functionalized carbon nanotube bucky paper}, journal = {Applied Physics Letters}, volume = {97}, number = {7}, year = {2010}, month = {AUG}, pages = {073102}, publisher = {AMER INST PHYSICS}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {

Field emission studies of bucky paper of multiwalled carbon nanotubes (MWNTs), prepared after microwave (MW) assisted acid functionalization are reported along with a comparison with that of {\textquoteleft}{\textquoteleft}as-grown{\textquoteright}{\textquoteright} sample. MW treated bucky papers reveal an interesting linear field emission behavior in Fowler-Nordheim plot. The field emission currents at preset value are found to be remarkably stable over a period of more than 3 h sustaining current densities of 4.9 mA/cm(2) and 8.5 mA/cm(2) for {\textquoteleft}{\textquoteleft}as-grown{\textquoteright}{\textquoteright} and functionalized sample, respectively. The enhancement in the field emission due to functionalization has been discussed in terms of tip opening and defect induced charge transport caused by intershell and intertubular interaction. (C) 2010 American Institute of Physics. [doi:10.1063/1.3479049]

}, keywords = {Carbon nanotubes, current density, field emission, fullerenes}, issn = {0003-6951}, doi = {10.1063/1.3479049}, author = {Kakade, Bhalchandra A. and Pillai, Vijayamohanan K. and Late, Dattatray J. and Chavan, Padmakar G. and Sheini, Farid J. and More, Mahendra A. and Joag, Dilip S.} } @article { ISI:000283502100037, title = {High room temperature ferromagnetic moment of Ho substituted nanocrystalline BiFeO3}, journal = {Applied Physics Letters}, volume = {97}, number = {16}, year = {2010}, month = {OCT}, pages = {162504}, publisher = {AMER INST PHYSICS}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {

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

}, issn = {0003-6951}, doi = {10.1063/1.3502481}, author = {Thakuria, Pankaj and Joy, Pattayil Alias} } @article { ISI:000276052700007, title = {Highly sensitive and fast responding CO sensor based on Co3O4 nanorods}, journal = {Talanta}, volume = {81}, number = {1-2}, year = {2010}, month = {APR}, pages = {37-43}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Co3O4 nanorods (diameters similar to 6-8 nm and lengths similar to 20-30 nm) were synthesized for the first time through a simple co-precipitation/digestion method by calcination of cobalt hydroxyl carbonate in air and their CO gas sensing properties were investigated. The Co3O4 nanorods exhibited outstanding gas sensing characteristics such as, higher gas response (similar to 6.55-50 ppm CO gas at 250 degrees C), extremely rapid response (similar to 3-4s), fast recovery (similar to 5-6s), excellent repeatability, good selectivity and lower operating temperature (similar to 250 degrees C). Furthermore, the Co3O4 nanorods are able to detect up to 5 ppm for CO with reasonable sensitivity (similar to 3.32) at an operating temperature 250 degrees C and they can be reliably used to monitor the concentration of CO over the range (5-50 ppm). The experimental results clearly demonstrate the potential of using the Co3O4 nanorods as sensing material in the fabrication of CO sensors. Plausible CO sensing mechanism of the Co3O4 nanorods is also discussed. (C) 2009 Elsevier B.V. All rights reserved.

}, keywords = {CO sensor, Co3O4 nanorods, HRTEM, Semiconductor gas sensors, XPS, XRD}, issn = {0039-9140}, doi = {10.1016/j.talanta.2009.11.034}, author = {Patil, Dewyani and Patil, Pradip and Subramanian, Vijayanand and Joy, Pattayil Alias and Potdar, Hari S.} } @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:000278307300007, title = {Influence of filler size and morphology in controlling the thermal emissivity of aluminium/polymer composites for space applications}, journal = {Materials Science and Engineering B-Advanced Functional Solid-State Materials}, volume = {168}, number = {1-3, SI}, year = {2010}, note = {Conference on Specialty Advanced Materials and Polymers for Aerospace and Defense and Applications (SAMPADA-2008), Mat Res Soc Singapore, Singapore, SINGAPORE, JUL 03-08, 2005}, month = {APR}, pages = {40-44}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The paper has addressed the problem of controlling the thermal emissivities from metal/polymer composites prepared by solution method. Aluminium is used as a filler and polystyrene as a polymer-matrix. Aluminium particles, with micrometer and nanometer dimensions having different morphologies, were employed. The values of emissivities were reduced when the coarse grains and flakes of aluminium were used as fillers, whereas, no significant change was observed when nano-aluminium was used in the composite. Dielectric dispersion for the composites was measured and the results are analysed in view of Fresnel relation. The differences in the values of dielectric constants, between the experimentally measured and those which can be predicted theoretically, are thought to arise from the interfacial polarization. (C) 2009 Elsevier B.V. All rights reserved.

}, keywords = {Camouflaging, Composite, dielectric constant, Infra-red, Thermal emissivity}, issn = {0921-5107}, doi = {10.1016/j.mseb.2009.11.009}, author = {Babrekar, Harshada A. and Kulkarni, Naveen V. and Jog, Jyoti Prakash and Mathe, Vikas L. and Bhoraskar, S. V.} } @article { 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 { ISI:000277784300022, title = {Inverse magnetocaloric effect in sol-gel derived nanosized cobalt ferrite}, journal = {Applied Physics A-Materials Science \& Processing}, volume = {99}, number = {2, SI}, year = {2010}, month = {MAY}, pages = {497-503}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

The magnetocaloric properties of cobalt ferrite nanoparticles were investigated to evaluate the potential of these materials as magnetic refrigerants. Nanosized cobalt ferrites were synthesized by the method of sol-gel combustion. The nanoparticles were found to be spherical with an average crystallite size of 14 nm. The magnetic entropy change (Delta S (m)) calculated indirectly from magnetization isotherms in the temperature region 170-320 K was found to be negative, signifying an inverse magnetocaloric effect in the nanoparticles. The magnitudes of the Delta S (m) values were found to be larger when compared to the reported values in the literature for the corresponding ferrite materials in the nanoregime.

}, issn = {0947-8396}, doi = {10.1007/s00339-010-5573-8}, author = {Gopalan, E. Veena and Al-Omari, I. A. and Kumar, D. Sakthi and Yoshida, Yasuhiko and Joy, Pattayil Alias and Anantharaman, Maliemadom R.} } @article { ISI:000283349200004, title = {Investigations of CdS and Ag-CdS nanoparticles by X-ray photoelectron spectroscopy}, journal = {Applied Surface Science}, volume = {257}, number = {5}, year = {2010}, month = {DEC}, pages = {1390-1394}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {Ag-CdS, CdS, Cysteine, XPS}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2010.08.035}, author = {Thakur, Priya and Joshi, Satyawati S. and Patil, K. R.} } @article { ISI:000279787200004, title = {Isolation, structure, and functional elucidation of a modified pentapeptide, cysteine protease inhibitor (CPI-2081) from streptomyces species 2081 that exhibit inhibitory effect on cancer cell migration}, journal = {Journal of Medicinal Chemistry}, volume = {53}, number = {14}, year = {2010}, month = {JUL}, pages = {5121-5128}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Cysteine proteases play an important role in cell migration and tumor metastasis. Therefore, their inhibitors are of colossal interest, having potential to be developed as effective antimetastatic drugs for tumor chemotherapy. Traditionally, secondary metabolites from streptomyces show a wide range of diversity with respect to their biological activity and chemical nature. In this article, we have described the characterization of small molecule cysteine protease inhibitor, CPI-2081 (compound 1), a mixture of two novel pentapeptides, compound 1a (736.71 Da), and compound 1b (842.78 Da), isolated from Streptomyces species NCIM2081, following solvent extraction and repeated HPLC based on C18 chemistry, and completely characterized using a variety of both ID and 2D NMR spectroscopy. Further, it was found that nanomolar concentration of compound 1 is able to inhibit papain hydrolytic activity. Also, compound 1 significantly inhibits tumor cell migration at sub cytotoxic concentration, indicating its remarkable potential to be developed as antimetastatic drug, which will make chemotherapy more localized and specific, thereby minimizing the hazardous side effects on normal tissues.

}, issn = {0022-2623}, doi = {10.1021/jm9014179}, author = {Singh, Jay Prakash and Tamang, Sudarsan and Rajamohanan, P. R. and Jima, N. C. and Chakraborty, Goutam and Kundu, Gopal C. and Gaikwad, Sushama M. and Khan, Mohammad Islam} } @article { ISI:000273689600061, title = {Magnetic and dielectric properties and Raman spectroscopy of GdCrO3 nanoparticles}, journal = {Journal of Applied Physics}, volume = {107}, number = {1}, year = {2010}, month = {JAN}, pages = {013912}, publisher = {AMER INST PHYSICS}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {

The rare earth orthochromites are extremely interesting due to the richness of their optical, dielectric, and magnetic properties as well as due to their multiferroic properties which make them suitable materials to study in the nanoregime. However, the wet-chemical synthesis of these materials in nanosize is nontrivial. Here, we report for the first time, the detailed Raman spectra as well as magnetic and dielectric properties of chemically synthesized GdCrO3 nanoparticles of size ranging from 40 to 60 nm. The magnetic properties are dictated by competing Cr3+-Cr3+, Gd3+-Cr3+, and Gd3+-Gd3+ superexchange interactions in different temperature regions, resulting into an antiferromagnetic ordering at 167 K due to the Cr3+-Cr3+ followed by weak ferromagnetic ordering due to the onset of Cr3+-Gd3+ interactions. At lower temperature, it shows weak antiferromagnetic ordering due to Gd3+-Gd3+ interaction. Below 95 K, GdCrO3 nanoparticles showed the presence of negative magnetization due to Gd3+ and Cr3+ interactions resulting into weak ferromagnetic coupling. The Raman spectroscopy shows the characteristic Raman shifts indicating that below 450 cm(-1), Gd3+ ions play a dominant role in determining the phonon frequencies of GdCrO3, and above 450 cm(-1), the Cr+3 ions dominate. We also present for the first time the low temperature dielectric constant and loss tangent data for GdCrO3 in a broad temperature and frequency range. The dielectric constant shows a decrease in comparison to the bulk values due to the size dependent effects. It also shows a peak centered at around 320 K above which it shows a sharp decrease. The dielectric loss value in GdCrO3 nanoparticles is quite small and shows an interesting frequency dependent anomaly at lower temperature which might be due to the coupling between magnetic and dielectric order parameters.

}, keywords = {dielectric losses, gadolinium compounds, Magnetisation, Multiferroics, nanofabrication, Nanoparticles, permittivity, phonons, Raman spectra, superexchange interactions}, issn = {0021-8979}, doi = {10.1063/1.3275926}, author = {Jaiswal, Adhish and Das, Raja and Vivekanand, K. and Maity, Tuhin and Abraham, Priya Mary and Adyanthaya, Suguna D. and Poddar, Pankaj} } @article { ISI:000276938100029, title = {On the magnetic and dielectric properties of nickel-neoprene nanoconaposites}, journal = {Materials Chemistry and Physics}, volume = {121}, number = {1-2}, year = {2010}, month = {MAY}, pages = {154-160}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Nickel nanocomposites were prepared by incorporating nickel nanoparticles in a neoprene matrix according to a specific recipe for various loadings of nickel particles. The dielectric properties of these composites were evaluated for different frequencies ranging from 100 kHz to 8 MHz at different temperatures from 30 degrees C to 120 degrees C. The dielectric permittivity increases with increase of nickel concentration. Increase in temperature enhances the permittivity initially, till 40 degrees C and thereafter the permittivity decreases. The dielectric loss exhibits relaxation peaks and the peaks shift to lower frequencies with increase in volume fraction of the nickel nanoparticles in the matrix. The evaluation of magnetic and dielectric properties of these composites suggests that the dielectric permittivity can be tailored by an appropriate loading of the filler using semi-empirical equations and the magnetic properties vary according to simple mixture equations. (C) 2010 Elsevier B.V. All rights reserved.

}, keywords = {Composite materials, dielectric properties, Elastomers, magnetic properties}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2010.01.006}, author = {Jamal, E. Muhammad Abdul and Joy, Pattayil Alias and Kurian, Philip and Anantharaman, Maliemadom R.} } @article { ISI:000276615500006, title = {On the magnetic, mechanical and rheological properties of rubber-nickel nanocomposites}, journal = {Polymer Bulletin}, volume = {64}, number = {9}, year = {2010}, month = {MAY}, pages = {907-923}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Rubber-nickel nanocomposites were synthesized by incorporating freshly prepared nanometric nickel particles in two different matrices namely natural rubber and neoprene rubber according to specific recipes for various loadings of nano nickel and the cure characteristics of these composites were evaluated. The maximum torque values register an increase with the increase in loading of nickel in both composites and this is attributed to the non-interacting nature of nickel nanoparticles with rubber matrices. The cure time of natural rubber composites decreases with increase in the content of nickel, and in neoprene rubber cure, time increases with increase in filler content. In natural rubber, the curing reaction seems to be activated by the presence of nickel particles. The magnetization studies of the composites reveal that the magnetic properties of nickel are retained in the composite samples. The elastic modulus of natural rubber and neoprene rubber are largely improved by the incorporation of nickel particles.

}, keywords = {Cure characteristics, Elastic modulus, magnetic properties, Nanocomposites}, issn = {0170-0839}, doi = {10.1007/s00289-009-0231-z}, author = {Jamal, E. Muhammad Abdul and Joy, Pattayil Alias and Kurian, Philip and Anantharaman, Maliemadom R.} } @conference { ISI:000287122200024, title = {Mathematical modeling and simulation of bubble column reactor for aerial liquid phase cyclohexane oxidation}, booktitle = {International Conference on Modeling, Optimization, and Computing}, series = {AIP Conference Proceedings}, volume = {1298}, year = {2010}, note = {International Conference on Modeling, Optimization, and Computing, Durgapur, INDIA, OCT 28-30, 2010}, month = {OCT}, pages = {151-159}, publisher = {Natl Inst Technol Durgapur; SERC, Dept Sci \& Technol; Caledonian Coll Engn; BRNS, Dept Atom Energy; DRDO, Minist Defence}, organization = {Natl Inst Technol Durgapur; SERC, Dept Sci \& Technol; Caledonian Coll Engn; BRNS, Dept Atom Energy; DRDO, Minist Defence}, address = {2 Huntington Quadrangle, STE 1no1, Melville, NY 11747-4501 USA}, abstract = {

Cyclohexane oxidation is an important but complex commercial reaction, wherein the desired product, K-A oil appears as an intermediates of the reaction sequence. A mathematical model has been developed for the bubble column reactor operating under isothermal conditions. The mass and energy model equations consisted of stiff ODEs. The model was applied to describe the behavior of bubble column reactor for aerial liquid phase cyclohexane oxidation. Effect of initial substrate concentration, catalyst loading and temperature was studied and discussed in detail. Conclusions were presented at the end of the study.

}, keywords = {K-A Oil Selectivity, Mathematical modeling, substrate conversion and product yield analysis}, isbn = {978-0-7354-0854-8}, issn = {0094-243X}, doi = {10.1063/1.3516293}, author = {Upkare, Makarand M. and Rajurkar, Kalpendra B. and Gupta, Pankaj R. and Jaganathan, Rengaswamy}, editor = {Paruya, S. and Kar, S. and Roy, S} } @article { ISI:000283204900015, title = {Micro-/meso-porous stannosilicate composites (Sn-MFI/MCM-41) via two-step crystallization process: process parameter-phase relationship}, journal = {Microporous and Mesoporous Materials}, volume = {136}, number = {1-3}, year = {2010}, month = {DEC}, pages = {115-125}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Sn-MFI/MCM-41 composite material was successfully synthesized by monitoring the re-crystallization time in a simple two-step crystallization process. The length of period allowed for the recrystallization of the precursor species was found to be a controlling factor to achieve either the end members viz. Sn-MCM-41 and Sn-MFI or Sn-MFI/MCM-41 composite material. Powder XRD, FTIR, SEM, TEM, nitrogen sorption measurement, DRUV-vis and hydroxyalkylation of p-cresol reaction were used as the characterization tools. Attempts were also made to establish the relationship between type of phase formed and the process parameters such as aging time, re-crystallization temperature, time and molar ratios of TPAOH/SiO(2), CTMABr/SiO(2) and SiO(2)/SnO(2) in the gel. (C) 2010 Elsevier Inc. All rights reserved.

}, keywords = {composites, Crystallization, Micro-/meso-porous stannosilicate, p-Cresol hydroxyalkylation, Sn-MCM-41, Sn-MFI}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2010.08.005}, author = {Niphadkar, Prashant S. and Garade, Ajit C. and Jha, Ratnesh Kumar and Rode, Chandrashekhar V. and Joshi, Praphulla N.} } @article { ISI:000277529700013, title = {NO reduction under diesel exhaust conditions over Au/Al2O3 prepared by deposition-precipitation method}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {322}, number = {1-2}, year = {2010}, month = {MAY}, pages = {90-97}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Gold supported on alumina was prepared by urea deposition-precipitation method and compared to silver supported on alumina for the selective catalytic reduction of NO by hydrocarbons under lean conditions. The catalyst showed activity in the reduction of NO and 100\% selectivity towards N-2 in the temperature range 300-350 degrees C. At higher temperature the NO conversion decreased due to competitive oxidative reactions of the reductants. XPS analysis confirmed the good stability of gold nanoparticles deposited on alumina. Infrared studies showed the formation of various adsorbed species (formates, carboxylates, ad-NOx and cyanide) on the catalyst surface. Addition of H-2 to the feed containing decane enhanced the formation of these species on the catalyst surface as well as the catalytic activity for the NO conversion to N-2. (C) 2010 Elsevier B.V. All rights reserved.

}, keywords = {Deposition-precipitation, Gold, In situ IR, NO reduction, XPS}, issn = {1381-1169}, doi = {10.1016/j.molcata.2010.02.024}, author = {Miguel, P. and Granger, P. and Jagtap, Neelam and Shubhangi B. Umbarkar and Dongare, Mohan K. and Dujardin, Christophe} } @article { ISI:000273405000006, title = {Novel supramolecular organogel nanotubular template approach for conducting nanomaterials}, journal = {Journal of Physical Chemistry B}, volume = {114}, number = {2}, year = {2010}, month = {JAN}, pages = {728-736}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

We report a unique supramolecular organogel template approach for conducting polyaniline nanomaterials. A novel organogel based on sulfonic acid dopant was designed and developed from renewable resource 3-pentadecyl phenol via ring-opening of 1,4-butane sultone. The amphiphilic dopant molecule formed thermo-reversible supramolecular organogel in highly polar solvents like alcohols. The self-assembled fibril network morphology of the gel was confirmed by scanning electron microscopy (SEM) and atomic force microscopy. Transmission electron microscopy (TEM) revealed that the inner part of the fibrous gel is nanotubular with the pore diameter of similar to 75 run. The organogel nanotubular morphology was retained even in the presence of aniline+dopant complex, and the aniline monomers occupied the hydrophobic nanopockets provided by the amphiphilic dopant. The chemical oxidative polymerization of the dopant+aniline organogel template produced well-defined polyaniline nanofibers. The polymerization was carried out at various temperatures to establish the role of the physical state and stability of the organogel on the morphology. The sulfonic acid molecule acts both as self-assembled molecular template for the synthesis of polymer nanomaterial as well as anionic counterpart for stabilizing the positively charged conducting polymer chains. The gel template played a pivotal role in directing polyaniline chains to form nanofibers and also manipulating the number of other properties such as conductivity, solubility, percent crystallinity, and solid-state ordering, etc. Temperature-dependent electrical conductivity measurements revealed that the nanomaterials showed typical linear ohmic behavior and also followed the 3-D VRH model at elevated temperatures.

}, issn = {1520-6106}, doi = {10.1021/jp909016r}, author = {Anilkumar, P. and Jayakannan, M.} } @article { ISI:000275045600020, title = {Observation of photoconductivity in Sn-doped ZnO nanowires and their photoenhanced field emission behavior}, journal = {Journal of Physical Chemistry C}, volume = {114}, number = {9}, year = {2010}, month = {MAR}, pages = {3843-3849}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Sn-doped ZnO nanowire films have been Successfully synthesized by electrodeposition oil zinc foil followed by annealing in air at 400 degrees C for 4 h. The XRD patterns of the annealed specimens exhibit I set of well-defined diffraction peaks indexed to the wurtzite phase of ZnO. The Surface morphology of the as-synthesized films showed a network of densely packed flakes/sheets oil the Substrate. However, upon annealing, the formation of ZnO nanowires, processing length in the range of several micrometers and diameter less than 150 nm, oil the entire substrate is observed. The relative atomic percentage of Sri, estimated from the energy dispersive spectra, was found to be 0.5 and 2.0 in the ZnO films deposited for 10 and 40 min durations, respectively. Front the field emission studies, the Values of the turn-on field and threshold field, required to draw emission Current density of 10 and 100 mu A/cm(2), are observed to be 0.68 and 1.1 V/mu m for 0.5\% Sn-doped ZnO and 1.72 and 2.25 V/mu m for 2.0\% Sn-doped ZnO, respectively. The field emission Current stability investigated for a duration Of h at the preset value of 100 mu A is found to be excellent. A prominent photoenhancement in the field emission Current upon visible light illumination of the Sn-doped ZnO nanowires films has been observed. This enhancement has been attributed to the photoconductivity of the Sn-doped ZnO.

}, issn = {1932-7447}, doi = {10.1021/jp911080f}, author = {Sheini, Farid Jamali and More, Mahendra A. and Jadkar, Sandesh R. and Patil, K. R. and Pillai, Vijaymohanan K. and Joag, Dilip S.} } @article { ISI:000279787600008, title = {Origin of magnetic anomalies below the neel temperature in nanocrystalline LuMnO3}, journal = {Journal of Physical Chemistry C}, volume = {114}, number = {28}, year = {2010}, month = {JUL}, pages = {12104-12109}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Rare earth manganites crystallize in distorted orthorhombic perovskite or hexagonal structures and exhibit quite interesting optical and magnetic properties dictated by the size of the rare earth ion. Many of these materials might exhibit both ferroelectric and magnetic ordering as well as magnetoelectric coupling. However, their physical properties at reduced particle sizes remain underexplored due to the challenges associated with their synthesis with a proper control over the crystalline phase. Here, we report the wet-chemical synthesis of the hexagonal phase of nanocrystalline LuMnO3 with an average crystallite size of similar to 32 nm. The room-temperature Raman spectroscopy data are consistent with the calculated values of isomorphous hexagonal RMnO3 (R = rare earth atom) compounds with P6(3)cm symmetry. The UV-vis-NIR spectra recorded in the diffused reflectance mode at room temperature show electronic transitions at 1.7 eV (729 nm), 2.3 eV (539 nm), and 5 eV (258 nm). The magnetization measurements show that the Neel temperature for the LuMnO3 is situated at around 89 K, which is in close proximity to the reported value of the bulk phase. We also observed two unique and field-dependent magnetic anomalies that were predicted earlier but never reported experimentally. The first anomaly is observed as a sharp bifurcation in the ZFC-FC curves below 44 K at a 100 Oe applied field, which is accompanied with a sudden rise in the coercivity and magnetization. A second transition is observed at 12 K as a sharp peak in the ZFC curves, which is accompanied with a dip in coercivity. We attribute the transition at 44 K to the reorientation of the Mn3+ ions due to the Dzyaloshinskii-Moriya interaction, and the transition at 12 K is explained by weak antiferromagnetic coupling between Mn-O-Mn in the ab plane, which becomes dominant at lower temperatures.

}, issn = {1932-7447}, doi = {10.1021/jp103037r}, author = {Das, Raja and Jaiswal, Adhish and Adyanthaya, Suguna D. and Poddar, Pankaj} } @article { ISI:000278611900017, title = {Orthogonally protected cyclohexanehexols by a {\textquoteleft}{\textquoteleft}one reaction - one product{\textquoteright}{\textquoteright} approach: efficient access to cyclitols and their analogs}, journal = {European Journal of Organic Chemistry}, number = {15}, year = {2010}, month = {MAY}, pages = {2945-2953}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {

Differentially protected myo-inositol derivatives were prepared from commercially available myo-inositol through regioselective O-alkylation reactions, which give a single product in each step. These derivatives were converted into six isomeric inositol derivatives carrying orthogonal hydroxy protecting groups. For all these reactions, conditions were chosen to prevent the formation of isomeric products, which obviates the need for separation of isomers and provides the required cyclitol derivative in very good yields. The synthetic potential of these derivatives was illustrated by the conversion of some of the orthogonally protected inositol derivatives into other cyclitol derivatives. Isomeric inositols were also prepared by the global deprotection of all the hydroxy groups.

}, keywords = {Alkylation, cyclitols, Inositol, Protecting groups, Regioselectivity}, issn = {1434-193X}, doi = {10.1002/ejoc.201000009}, author = {Jagdhane, Rajendra C. and Shashidhar, Mysore 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 { ISI:000282201200049, title = {Production and characterization of a biodegradable poly (hydroxybutyrate-co-hydroxyvalerate) (PHB-co-PHV) copolymer by moderately haloalkalitolerant Halomonas campisalis MCM B-1027 isolated from Lonar Lake, India}, journal = {Bioresource Technology}, volume = {101}, number = {24}, year = {2010}, month = {DEC}, pages = {9765-9771}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Several microorganisms produce polyhydroxyalkanoates (PHA). They are accumulated intracellularly as energy storage compounds. The PHAs are of interest because of their potential in biomedical applications. Halophilic bacteria and archaea are known to produce polyhydroxybutyrate (PHB). This paper describes production of a biodegradable copolymer, PHB-co-PHV by a moderately haloalkalitolerant Halomonas campisalis, isolated from Lonar Lake, India. The production of PHA was in the range of 45-81\% on dry cell weight basis when the organism was grown in a production medium containing 1\% (w/v) maltose and 0.1\% (w/v) yeast extract, at pH ranging from 6 to 9 with an inoculum density of 10(5)-10(7) cells/ml of medium, for incubation period of 15-30 h and at 37 degrees C. The polymer produced by the organism is a hydroxyester with molecular weight of 1.3014 x 10(6). Its melting temperature was 171 degrees C. The (1)H NMR analysis revealed that the polymer was a copolymer of PHB-co-PHV. This could be achieved by providing simple carbon source viz. maltose. (C) 2010 Elsevier Ltd. All rights reserved.

}, keywords = {Biodegradable plastics, Halomonas campisalis, Polyhydroxyalkanoates}, issn = {0960-8524}, doi = {10.1016/j.biortech.2010.07.089}, author = {Kulkarni, S. O. and Kanekar, Pradnya P. and Nilegaonkar, S. S. and Sarnaik, S. S. and Jog, Jyoti Prakash} } @article { ISI:000281382400015, title = {Protoplast formation and regeneration in lactobacillus delbrueckii}, journal = {Indian Journal of Microbiology}, volume = {50}, number = {1}, year = {2010}, month = {MAR}, pages = {97-100}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Method for production and regeneration of Lactobacillus delbrueckii protoplasts are described. The protoplasts were obtained by treatment with a mixture of lysozyme and mutanolysin in protoplast buffer at pH 6.5 with different osmotic stabilizers. The protoplasts were regenerated on deMan, Rogosa and Sharpe (MRS) with various osmotic stabilizers. Maximum protoplast formation was obtained in protoplast buffer with sucrose as an osmotic stabilizer using a combination of lysozyme (1 mg/ml) and mutanolysin (10 mu g/ml). Maximum protoplast regeneration was obtained on MRS medium with sucrose (0.5 M) as an osmotic stabilizer. The regeneration medium was also applicable to other species of lactobacilli as well. This is, to our knowledge, the first report on protoplast formation and efficient regeneration in case of L. delbrueckii.

}, keywords = {Lactobacillus delbrueckii, Protoplast formation, Protoplast regeneration}, issn = {0046-8991}, doi = {10.1007/s12088-010-0008-y}, author = {Singhvi, Mamta and Joshi, Dipti and Gaikaiwari, Shalaka A. and Gokhale, Digambar V.} } @article { ISI:000278307300033, title = {Ring opening polymerization of dilactide using salen complex as catalyst}, journal = {Materials Science and Engineering B-Advanced Functional Solid-State Materials}, volume = {168}, number = {1-3, SI}, year = {2010}, note = {Conference on Specialty Advanced Materials and Polymers for Aerospace and Defense and Applications (SAMPADA-2008), Mat Res Soc Singapore, Singapore, SINGAPORE, JUL 03-08, 2005}, month = {APR}, pages = {193-198}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The recent concerns about our environment have led to search for environmentally benign and sustainable materials that could substitute the more commonly used petroleum based materials. Biodegradable and sustainable polylactide (PLA) is becoming one of the most promising and practical materials as a partial replacement for the petroleum-based materials. The commercially available PLA is generally homochiral poly(L-lactide) (PLLA) at present because L-lactic acid with high optical purity can only be obtained in bulk by fermentation of carbohydrate. PLLA is mostly synthesized by ring opening polymerization (ROP) of homochiral L-lactide (LLA), which is a cyclic dimer of L-lactic acid. In the present work, poly(L-lactide)s were synthesized by the ring opening polymerization (ROP) of L-lactide using iron and manganese salen complexes as catalyst. The new iron and manganese salen complexes were synthesized, purified, characterized and used as catalyst for polymerization of L-lactide. The poly(L-lactide)s prepared were characterized by infrared, proton NMR spectroscopy, solution viscosity, gel permeation chromatography, thermal analysis and X-ray diffraction. (C) 2009 Elsevier B.V. All rights reserved.

}, keywords = {Gel permeation chromatography, Iron salen catalyst, L-Lactic acid, L-Lactide, Manganese salen catalyst, Poly(L-lactide), ring opening polymerization, Solution viscosity}, issn = {0921-5107}, doi = {10.1016/j.mseb.2009.10.037}, author = {Idage, Bhaskar B. and Idage, Susheela B. and Kasegaonkar, A. S. and Jadhav, R. V.} } @article { ISI:000284494800013, title = {Selective hydrogenolysis of glycerol to 1,2-propanediol: comparison of batch and continuous process operations}, journal = {Organic Process Research \& Development}, volume = {14}, number = {6}, year = {2010}, month = {NOV}, pages = {1393-1400}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

}, issn = {1083-6160}, doi = {10.1021/op1001897}, author = {Rode, Chandrashekhar V and Ghalwadkar, Ajay A. and Mane, R. B. and Hengne, Amol M. and Jadkar, Sachin T. and Biradar, Narayan S.} } @conference { ISI:000280550300020, title = {Shear induced diffusion in dense granular flows}, booktitle = {IUTAM-ISIMM Symposium on Mathematical Modeling and Physical Instances of Granular Flows}, series = {AIP Conference Proceedings}, volume = {1227}, year = {2010}, note = {IUTAM-ISIMM Symposium on Mathematical Modeling and Physical Instances of Granular Flows, Reggio Calabria, ITALY, SEP 14-18, 2009}, month = {JUN}, pages = {221-229}, publisher = {IUTAM; ISIMM; Italian Inst Higher Math; US Natl Sci Fdn; Reg Council Reggio Calabria; Prov Reggio Calabria; Mediterranean Univ Reggio Calabria}, organization = {IUTAM; ISIMM; Italian Inst Higher Math; US Natl Sci Fdn; Reg Council Reggio Calabria; Prov Reggio Calabria; Mediterranean Univ Reggio Calabria}, address = {2 Huntington Quadrangle, STE 1NO1, Melville, NY 11747-4501 USA}, abstract = {

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

}, keywords = {DEM, Diffusion, granular, index matching, LAMMPS, laser fluorescence}, isbn = {978-0-7354-0772-5}, issn = {0094-243X}, doi = {10.1063/1.3435393}, author = {Orpe, Ashish V. and Rycroft, Chris H. and Kudrolli, Arshad A.}, editor = {Goddard, J. D. and Jenkins, J. T. and Giovine, P.} } @article { ISI:000281175500059, title = {Simple chemical co-precipitation/calcination route for the synthesis of simulated synroc-B and synroc-C powders}, journal = {Materials Chemistry and Physics}, volume = {123}, number = {2-3}, year = {2010}, month = {OCT}, pages = {695-699}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

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

}, keywords = {Ceramics, Chemical synthesis, Oxides, Sintering}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2010.05.039}, author = {Potdar, H. S. and Vijayanand, S. and Mohaideen, Kamal Khaja and Patil, K. R. and Joy, Pattayil Alias and Madhavan, R. Raja and Kutty, K. V. G. and Ambashta, Ritu D. and Wattal, P. K.} } @article { ISI:000283697400019, title = {Stereocontrolled route to the synthesis of (+/-)-3-amino-2,2-dimethyl-1,3-diphenylpropan-1-ol}, journal = {Tetrahedron Letters}, volume = {51}, number = {45}, year = {2010}, month = {NOV}, pages = {5927-5929}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {1, 3-Aminoalcohol, Aldol-Tishchenko reaction, beta-Hydroxy oxime, Diastereoslective reduction}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2010.09.011}, author = {Patil, M. N. and Bhowmick, Kartick C. and Joshi, Navalkishore N.} } @article { ISI:000275455500010, title = {Strain improvement of lactobacillus lactis for d-lactic acid production}, journal = {Biotechnology Letters}, volume = {32}, number = {4}, year = {2010}, month = {APR}, pages = {517-520}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

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

}, keywords = {Cellobiose utilization, D-Lactic acid production, Lactobacillus lactis, Mutant, Sucrose (cane sugar)}, issn = {0141-5492}, doi = {10.1007/s10529-009-0187-y}, author = {Joshi, D. S. and Singhvi, M. S. and Khire, Jayant Malhar and Gokhale, D. V.} } @article { ISI: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:000281347500022, title = {Surface texture and specific adsorption sites of sol-gel synthesized anatase TiO2 nanoparticles}, journal = {Materials Research Bulletin}, volume = {45}, number = {10}, year = {2010}, month = {OCT}, pages = {1470-1475}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {Catalytic properties, Nanostructures, Oxides, Sol-gel chemistry, X-ray diffraction}, issn = {0025-5408}, doi = {10.1016/j.materresbull.2010.06.026}, author = {Zaki, Mohamed I. and Mekhemer, Gamal A. H. and Fouad, Nasr E. and Jagadale, Tushar C. and Ogale, Satishchandra B.} } @article { ISI:000274839100053, title = {Synthesis and characterization of nickel selenide thin films deposited by chemical method}, journal = {Journal of Alloys and Compounds}, volume = {490}, number = {1-2}, year = {2010}, month = {FEB}, pages = {228-231}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Nickel selenide thin films have been deposited using chemical bath method on non-conducting glass substrates in a tartarate bath containing nickel sulphate octahydrate, hydrazine hydrate, sodium seleno-sulphate in an aqueous alkaline medium. The grown films were uniform, well adherent and black in color. The films were characterized using X-ray diffraction, scanning electron microscopy, optical absorption and electrical measurements. The nickel selenide thin film revealed polycrystalline nature with hexagonal system. The direct optical band gap of the film was found to be 1.61 eV. Electrical resistivity of film was observed in the order of 10(3) (Omega cm) with p-type conduction mechanism. (C) 2009 Elsevier B.V. All rights reserved.

}, keywords = {Crystal growth, Semiconductors, Thin films, X-ray diffraction}, issn = {0925-8388}, doi = {10.1016/j.jallcom.2009.09.132}, author = {Hankare, P. P. and Jadhav, B. V. and Garadkar, K. M. and Chate, P. A. and Mulla, Imtiaz S. and Delekar, S. D.} } @article { ISI:000276083200006, title = {Synthesis of azepane and nojirimycin iminosugars: the sharpless asymmetric epoxidation of D-glucose-derived allyl alcohol and highly regioselective epoxide ring opening using sodium azide}, journal = {Tetrahedron-Asymmetry}, volume = {21}, number = {2}, year = {2010}, month = {FEB}, pages = {163-170}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The Sharp less asymmetric epoxidation of D-glucose-derived ally! alcohol 4 afforded alpha- and beta-epoxides 5a and 5b in high stereoselectivity. The epoxide ring opening in 5a/5b was studied with different nucleophilic azido reagents, under various reaction conditions, and was found to be highly regioselective to give the preferential formation of 6-azido diol 6a/6b over 5-azido-diol 7a/7b. The 6-azido diol 6a/6b and 5-azido dial 7a/7b thus obtained were converted to the corresponding seven- and six-membered iminosugar, namely, azepane 1a/1b and 1-deoxy-nojirimycin 2a/2b. (C) 2010 Elsevier Ltd. All rights reserved.

}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2010.01.007}, author = {Jadhav, Vrushali H. and Bande, Omprakash P. and Puranik, Vedavati G. and Dhavale, Dilip D.} } @article { ISI:000283124800028, title = {Synthesis of bio-compatible SPION-based aqueous ferrofluids and evaluation of radiofrequency power loss for magnetic hyperthermia}, journal = {Nanoscale Research Letters}, volume = {5}, number = {10}, year = {2010}, month = {OCT}, pages = {1706-1711}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Bio-compatible magnetic fluids having high saturation magnetization find immense applications in various biomedical fields. Aqueous ferrofluids of superparamagnetic iron oxide nanoparticles with narrow size distribution, high shelf life and good stability is realized by controlled chemical co-precipitation process. The crystal structure is verified by X-ray diffraction technique. Particle sizes are evaluated by employing Transmission electron microscopy. Room temperature and low-temperature magnetic measurements were carried out with Superconducting Quantum Interference Device. The fluid exhibits good magnetic response even at very high dilution (6.28 mg/cc). This is an advantage for biomedical applications, since only a small amount of iron is to be metabolised by body organs. Magnetic field induced transmission measurements carried out at photon energy of diode laser (670 nm) exhibited excellent linear dichroism. Based on the structural and magnetic measurements, the power loss for the magnetic nanoparticles under study is evaluated over a range of radiofrequencies.

}, keywords = {Magnetic heating, Magnetic hyperthermia, Magnetic relaxation, Power loss, Superparamagnetism}, issn = {1931-7573}, doi = {10.1007/s11671-010-9729-4}, author = {Mary, Antony P. Reena and Narayanan, T. N. and Sunny, Vijutha and Sakthikumar, D. and Yoshida, Yasuhiko and Joy, Pattayil Alias and Anantharaman, Maliemadom R.} } @article { ISI:000276490800006, title = {Synthesis of eight-membered iminocyclitols from D-glucose}, journal = {Tetrahedron}, volume = {66}, number = {15}, year = {2010}, month = {APR0}, pages = {2830-2834}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The Baylis-Hillman reaction of 3-o-benzyl-alpha-d-xylo-pentodialdo-1,4-furanose 2 afforded a diastereomeric mixture of L-ido- and D-gluco-configurated alpha-methylene-beta-hydroxy esters 3a and 3b, respectively, in 1:1 ratio. Conjugate addition of benzyl amine on 3a gave adduct 4a as a major product while, addition of benzyl amine to 3b gave only one diastereomer 4b. Reduction of ester functionality in 4a/4b, opening of 1,2-acetonide functionality followed by reductive amino-cyclization under hydrogenation condition afforded azocanes 1c/1d in good yield. (C) 2010 Elsevier Ltd. All rights reserved.

}, keywords = {Baylis-Hillman reaction, Conjugate addition, diastereoselectivity, Iminosugars}, issn = {0040-4020}, doi = {10.1016/j.tet.2010.02.044}, author = {Jadhav, Vrushali H. and Bande, Omprakash P. and Puranik, Vedavati G. and Dhavale, Dilip D.} } @article { ISI:000279126700017, title = {Synthesis, resolution, and applications of 3-amino-2,2-dimethy1-1,3-diphenylpropan-1-ol, a conformationally restricted 1,3-aminoalcohol}, journal = {Tetrahedron}, volume = {66}, number = {27-28}, year = {2010}, month = {JUL}, pages = {5036-5041}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Efficient synthetic routes to both syn and anti diastereomers of a conformationally restricted 1,3-aminoalcohol were devised. Resolution of the aminoalcohols was accomplished through diastereomeric salt with R-(-)-O-acetyl mandelic acid. These aminoalcohols were examined as ligands for two standard reactions, namely, enantioselective addition of Et(2)Zn to aldehydes and reduction of prochiral ketones with BH(3). (C) 2010 Elsevier Ltd. All rights reserved.

}, keywords = {1, 3-Aminoalcohol, Aldol-Tishchenko reaction, Diethylzinc, Oxazaborinane, Resolution}, issn = {0040-4020}, doi = {10.1016/j.tet.2010.05.001}, author = {Patil, M. N. and Gonnade, Rajesh G. and Joshi, Navalkishore N.} } @article { ISI:000280070900009, title = {Temperature-dependent raman and dielectric spectroscopy of BiFeO3 nanoparticles: signatures of spin-phonon and magnetoelectric coupling}, journal = {Journal of Physical Chemistry C}, volume = {114}, number = {29}, year = {2010}, month = {JUL}, pages = {12432-12439}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

We report the temperature-dependent Raman and dielectric spectroscopy of chemically synthesized BiFeO3 nanoparticles (average size similar to 50-60 nm). The Raman spectra (90-700 K) show two sets of transitions in the lowest Raman E mode, associated with Bi-O bond motion situated in close proximity to the spin reorientation transitions reported for BiFeO3, thereby indicating the existence of possible coupling between magnons and phonons for particle size below the helical order parameter (62 nm). These transitions are slightly shifted in temperature in comparison to the bulk single crystals. We also observe a step-like behavior in Raman peak position around the Neel temperature, suggesting that the phonons are influenced by the magnetic ordering in nanosized BiFeO3. The heat-flow measurements show two sharp endothermic peaks at 1094 and 1223 K representing rhombohedral to orthorhombic or monoclinic transition followed by transition into the cubic phase above 1200K. The low temperature (20-325 K), frequency-dependent (1-10(6) Hz) dielectric constant and loss tangent measurements show that the loss tangent (similar to 10(-3)) and ac conductivity values (similar to 10(-8) Ohm(-1)-cm(-1)) are orders of magnitude lower than the reported values for BiFeO3 ceramics, indicating high levels of ionic purity of our samples. The real part of the permittivity shows a slight reduction in its value (similar to 30) in comparison to the bulk single crystals. Similar to the Stokes Raman shift, its temperature-dependent dielectric constant also shows four weak anomalies at similar to 85, 168, 205, and 230 K situated in close proximity to the spin reorientation transitions, indicating magnetoelectric coupling.

}, issn = {1932-7447}, doi = {10.1021/jp102450z}, author = {Jaiswal, Adhish and Das, Raja and Maity, Tuhin and Vivekanand, K. and Adyanthaya, Suguna D. and Poddar, Pankaj} } @article { ISI:000277203500017, title = {Template-assisted synthesis and characterization of passivated nickel nanoparticles}, journal = {Nanoscale Research Letters}, volume = {5}, number = {5}, year = {2010}, month = {MAY}, pages = {889-897}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Potential applications of nickel nanoparticles demand the synthesis of self-protected nickel nanoparticles by different synthesis techniques. A novel and simple technique for the synthesis of self-protected nickel nanoparticles is realized by the inter-matrix synthesis of nickel nanoparticles by cation exchange reduction in two types of resins. Two different polymer templates namely strongly acidic cation exchange resins and weakly acidic cation exchange resins provided with cation exchange sites which can anchor metal cations by the ion exchange process are used. The nickel ions which are held at the cation exchange sites by ion fixation can be subsequently reduced to metal nanoparticles by using sodium borohydride as the reducing agent. The composites are cycled repeating the loading reduction cycle involved in the synthesis procedure. X-Ray Diffraction, Scanning Electron Microscopy, Transmission Electron microscopy, Energy Dispersive Spectrum, and Inductively Coupled Plasma Analysis are effectively utilized to investigate the different structural characteristics of the nanocomposites. The hysteresis loop parameters namely saturation magnetization and coercivity are measured using Vibrating Sample Magnetometer. The thermomagnetization study is also conducted to evaluate the Curie temperature values of the composites. The effect of cycling on the structural and magnetic characteristics of the two composites are dealt in detail. A comparison between the different characteristics of the two nanocomposites is also provided.

}, keywords = {Nickel nanoparticles, Polymer-metal nanocomposites, Strongly acidic cation exchange resin, Stuctural and magnetic properties, Weakly acidic cation exchange resin}, issn = {1556-276X}, doi = {10.1007/s11671-010-9580-7}, author = {Gopalan, E. Veena and Malini, K. A. and Santhoshkumar, G. and Narayanan, T. N. and Joy, Pattayil Alias and Al-Omari, I. A. and Kumar, D. Sakthi and Yoshida, Yasuhiko and Anantharaman, Maliemadom R.} } @article { ISI:000279737500056, title = {Thermodynamic study of combining chemical looping combustion and combined reforming of propane}, journal = {Fuel}, volume = {89}, number = {10}, year = {2010}, month = {OCT}, pages = {3141-3146}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Existing energy generation technologies emit CO(2) gas and are posing a serious problem of global warming and climate change. The thermodynamic feasibility of a new process scheme combining chemical looping combustion (CLC) and combined reforming (CR) of propane (LPG) is studied in this paper. The study of CLC of propane with CaSO(4) as oxygen carrier shows thermodynamic feasibility in temperature range (400-782.95 degrees C) at 1 bar pressure. The CO(2) generated in the CLC can be used for combined reforming of propane in an autothermal way within the temperature range (400-1000 degrees C) at 1 bar pressure to generate syngas of ratio 3.0 (above 600 degrees C) which is extremely desirable for petrochemical manufacture. The process scheme generates (a) huge thermal energy in CLC that can be used for various processes, (b) pure N(2) and syngas rich streams can be used for petrochemical manufacture and (c) takes care of the expensive CO(2) separation from flue gas stream and CO(2) sequestration. The thermoneutral temperature (TNP) of 702.12 degrees C yielding maximum syngas of 5.98 mol per mole propane fed, of syngas ratio 1.73 with negligible methane and carbon formation was identified as the best condition for the CR reactor operation. The process can be used for different fuels and oxygen carriers. (C) 2010 Elsevier Ltd. All rights reserved.

}, keywords = {Chemical looping combustion, CLC, CO(2) utilization, Energy generation}, issn = {0016-2361}, doi = {10.1016/j.fuel.2010.05.029}, author = {Kale, Ganesh R. and Kulkarni, Bhaskar D. and Joshi, Ajit R.} } @article { ISI:000277649500046, title = {Volume transition of PNIPAM in a nonionic surfactant hexagonal mesophase}, journal = {Macromolecules}, volume = {43}, number = {10}, year = {2010}, month = {MAY}, pages = {4782-4790}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

We investigate the volume transition of a thermoresponsive polymer, poly(N-isopropylacrylamide), PNIPAM, in the presence of an aqueous solution of nonionic surfactant, C(12)E(9). We combine turbidimetry with optical microscopy, NMR, and SAXS to follow the volume transition of the PNIPAM and the H(1)-isotropic transition of the surfactant/water system. Nonionic surfactants such as C(12)E(9) are known to interact weakly with PNIPAM. Accordingly, we show that there is only a small change in the volume transition temperature for the PNIPAM in isotropic micellar solutions of C(12)E(9), even for relatively high concentrations of C(12)E(9). Interestingly, once the surfactant forms an H(1) phase, there is a dramatic decrease in the coil globule transition onset temperature. We believe that this behavior results from a competition between C(12)E(9) in the H(1) phase, and PNIPAM to associate with water. When PNIPAM in the H(1) phase is cooled to low enough temperatures so as to be in the coil state, it locally disturbs the hexagonal phase ordering. Thus, we show that for PNIPAM in a weakly interacting surfactant matrix, it is the phase behavior of the matrix rather than the matrix chemistry that governs the coil globule transition. Finally, we show that in a PNIPAM copolymer with a higher LCST we observe an interesting sequence of transitions in the surfactant phase: on cooling from a high temperature free-blowing turbid globular state (similar to 75 degrees C), we enter a free-flowing translucent coil phase (similar to 47 degrees C), then a turbid gel (similar to 25 degrees C) where the copolymer is collapsed in the HI phase, and finally a low-temperature clear gel (similar to 5 degrees C) where the copolymer is in the expanded coil state.

}, issn = {0024-9297}, doi = {10.1021/ma100357h}, author = {Jijo, V. J. and Sharma, Kamendra P. and Mathew, Renny and Kamble, Samruddhi and Rajamohanan, P. R. and Ajithkumar, Thalasseril G. and Badiger, Manohar V. and Kumaraswamy, Guruswamy} } @article { ISI:000294378600020, title = {Active pharmaceutical ingredient (api) from an estuarine fungus, microdochium nivale (Fr.)}, journal = {Journal of Environmental Biology}, volume = {32}, number = {5}, year = {2011}, month = {SEP}, pages = {653-658}, publisher = {TRIVENI ENTERPRISES}, address = {C/O KIRAN DALELA, 1/206 VIKAS NAGAR, KURSI RD, LUCKNOW 226 022, INDIA}, abstract = {

Various marine habitats sustain variety of bio-sources of ecological and biotech potentials. Pharmaceutical potential compound Cyclosporine A was reported from marine fungus Microdochium nivale associated with Porteresia coarctata, a marine salt marsh grass from mangrove environment distributed along the Central West Coast (CWC) of India. This study involves association of M. nivale with P. coarctata plant, fermentation conditions, purification of Cyclosporine A, chemical characterization etc. Its antifungal inhibition and MIC (Minimum inhibitory concentration) against Aspergillus strains (A. niger, A. japonicus, A. fresenii), yeasts and dermatophytes (Candida sp., Cryptococcus neoformans, Trichophyton mentagrophytes, T tonsurans, T violaceum, Microsporium gypsum and Fusarium sp.) were evaluated. However, the MIC against A. japonicus, C. neoformans, Candida sp. and T. tonsurans were confirmed to be as low as 12.5-25 mg disc(-1). The antifungal properties of Cyclosporine A against Aspergillus species, yeast and dermatophytes revealed that Cyclosporine A would be a potential compound for life threatening diseases caused by above fungi in both human and animals. Furthermore, we have reported herewith another source of Cyclosporin A derived from filamentous fungus, M. nivale. occurring in marine environment.

}, keywords = {antifungal, Cyclosporine A, Estuarine environment, Microdochium nivale}, issn = {0254-8704}, author = {Bhosale, Siddharth H. and Patil, K. B. and Parameswaran, P. S. and Naik, C. G. and Jagtap, T. G.} } @article { ISI:000286766600016, title = {Amino functionalized zeolitic tetrazolate framework (ZTF) with high capacity for storage of carbon dioxide}, journal = {Chemical Communications}, volume = {47}, number = {7}, year = {2011}, month = {JAN}, pages = {2011-2013}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A three dimensional -NH(2) functionalized Zeolitic Tetrazolate Framework (ZTF-1) has been reported. The framework adopts a dia topology (M-L-M angle is close to 156 degrees). ZTF-1 shows high CO(2) (273 K) and H(2) (77 K) uptake due to the presence of the free -NH(2) group and uncoordinated tetrazolate nitrogen.

}, issn = {1359-7345}, doi = {10.1039/c0cc04169f}, author = {Panda, Tamas and Pachfule, Pradip and Chen, Yifei and Jiang, Jianwen and Banerjee, Rahul} } @article { ISI:000288661500011, title = {Association between chemical and genetic variation in calophyllum inophyllum, a medicinally important tree of the Western Ghats of India}, journal = {Plant Systematics and Evolution}, volume = {292}, number = {3-4}, year = {2011}, month = {APR}, pages = {257-265}, publisher = {SPRINGER WIEN}, address = {SACHSENPLATZ 4-6, PO BOX 89, A-1201 WIEN, AUSTRIA}, abstract = {

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

}, keywords = {Calophyllum inophyllum, Dendrogram, dipyranocoumarins, HPLC, ISSR, Principal component analysis, Western Ghats of India}, issn = {0378-2697}, doi = {10.1007/s00606-010-0409-8}, author = {Pawar, Kiran D. and Joshi, Swati P. and Thengane, Shubhada Ratnakar} } @article { ISI:000297523700048, title = {Bidentate ligand-catalyzed enantioselective addition of RZnX to benzaldehyde}, journal = {Tetrahedron Letters}, volume = {52}, number = {48}, year = {2011}, month = {NOV}, pages = {6501-6503}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

{Enantioselective addition of RZnX (R = alkyl

}, keywords = {1, 2-Addition, Asymmetric synthesis, Chelating ligands, Organozinc}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2011.09.120}, author = {Jagtap, Ravindra S. and Joshi, Navalkishore N.} } @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:000291194800039, title = {Characterisation of copolymer, poly (hydroxybutyrate-co-hydroxyvalerate) (PHB-co-PHV) produced by halomonas campisalis (MCM B-1027), its biodegradability and potential application}, journal = {Bioresource Technology}, volume = {102}, number = {11}, year = {2011}, month = {JUN}, pages = {6625-6628}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Characterisation of polyhydroxyalkanoate (PHA) film produced by haloalkalitolerant Halomonas campisalis (MCM B-1027) in 14 L SS fermenter revealed it to have composition of monomer units, HB:HV as 96:4 as analysed by (1)H NMR indicating the PHA as a co-polymer of PHB-co-PHV, molecular weight by gel permeation chromatography as 2.08 x 10(6), melting temperature 166.51 degrees C, tensile strength 18.8 MPa; two relaxations namely beta transition corresponding to the glass rubber transition and alpha transition corresponding to crystalline relaxation by Dynamic Mechanical Thermal analysis and only one relaxation corresponding to MWS interfacial polarisation with activation energy of 129 kJ/mol by broadband dielectric spectroscopy. Optical microscopic studies showed typical Maltese-cross pattern of spherulites. The PHA film was found to be biodegradable by standard ASTM method as well as by soil burial method. The leak proof polymer bags prepared from the film could be used as a packaging material. (C) 2011 Elsevier Ltd. All rights reserved.

}, keywords = {Biodegradable polymer, Copolymer PHB-co-PHV, Dielectric relaxation spectroscopy, Dynamic mechanical analysis, Halomonas}, issn = {0960-8524}, doi = {10.1016/j.biortech.2011.03.054}, author = {Kulkarni, Snehal O. and Kanekar, Pradnya P. and Jog, Jyoti Prakash and Patil, Prashant A. and Nilegaonkar, Smita S. and Sarnaik, Seema S. and Kshirsagar, Pranav R.} } @article { ISI:000288483400033, title = {Characterization of surface acid sites in tin-silicalite-1 (Sn-MFI) molecular sieve by X-ray photoelectron spectroscopy}, journal = {Microporous and Mesoporous Materials}, volume = {141}, number = {1-3}, year = {2011}, month = {MAY}, pages = {236-240}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The nature, strength and density of surface acid sites in Sn-MFI molecular sieves with different Sn-content were characterized by N 1s high resolution photoelectron peak of chemisorbed pyridine in combination with pyridine-IR and TPAD. Two peaks emerged at 399.5 +/- 0.2 and 401.5 +/- 0.2 eV by deconvoluting composite N is peak were assigned to chemisorbed pyridine on weak and relatively strong Lewis acid sites, respectively. The relative percentage of strong Lewis acid sites was found to increase with the decrease of framework Sn content. A close agreement was observed between the ratios of weak Lewis acid sites to strong Lewis acid sites obtained from XPS and TPAD. (C) 2010 Elsevier Inc. All rights reserved.

}, keywords = {Lewis acidity, Pyridine chemisorption, SiO2/SnO2 molar ratio, Sn-MFI, XPS}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2010.10.036}, author = {Niphadkar, P. S. and Patil, K. R. and Joshi, P. N.} } @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: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:000291410900022, title = {Controlling stoichiometry in low temperature synthesis of La0.7Sr0.3MnO3 nanoparticles}, journal = {Advanced Science Letters}, volume = {4}, number = {2}, year = {2011}, month = {FEB}, pages = {424-430}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USA}, abstract = {

Nanoparticles of complex oxides (\<20 nm) are desirable for several applications in view of the diverse range of physical properties of such oxides. However the simultaneous presence of multiple cation precursors makes the corresponding chemical synthesis non-trivial with possible intermediate evolution of secondary phases. Such phases could react at high temperatures to form the desired stoichiometry, but this process is diffusion limited and can lead to larger particles. In this work we examine the role of three different reaction and growth controlling additives, namely dextran, citric acid and hexamine, on the synthesis of the well known colossal magneto-resistive (CMR) manganite La0.7Sr0.3MnO3. We demonstrate that phase evolutions differ significantly in the three cases, and the physical properties of the products also differ dramatically. Only dextran is shown to yield the desired phase with faceted nanoparticles at as low a temperature as 600 degrees C. A high saturation moment of similar to 47 emu/gm is realized at 10 K with a good square hysteresis loop. In 650 degrees C annealed sample, room temperature magnetization of similar to 15 emu/gm was obtained, which brings the nanoparticles in the applicability domain.

}, keywords = {Citric acid, Complex Oxide, Dextran, Hexamine, hydrothermal}, issn = {1936-6612}, doi = {10.1166/asl.2011.1230}, author = {Azarifar, Ali and Yadav, P. A. and Chawla, A. K. and Jog, Jyoti Prakash and Patil, S. I. and Chandra, Ramesh and Ogale, S. B.} } @article {43237, title = {Correction to what drives the redox properties of model green fluorescence protein chromophores?}, journal = {Journal of Physical Chemistry Letters}, volume = {2}, year = {2011}, month = {OCT}, pages = {2695{\textendash}2695}, chapter = {q}, abstract = {

We report the first experimental determination of the oxidation potentials E-ox(0). (relative to the standard hydrogen electrode, SHE) of model green fluorescent protein (GFP) chromophores. Para-, meta, and ortho-hydroxy (4-hydroxybenzylidene-2,3-dimethylimidazolinone, HBDI) and methoxy (MeOBDI) derivatives were studied. E-ox(0) of the three isomers in acetonitrile are -1.31, -1.52, and -1.39 V, respectively. Electronic structure calculations reproduce the observed differences between the isomers and reveal that E-ox(0) follows the ionization energies (IEs), that is, p-MeOBDI has the lowest IE (6.96 eV in the gas phase) due to resonance stabilization of its cation, whereas the resonance is detuned in m-MeOBDL resulting in more-negative E-ox(0). The observed meta and ortho effects in E-ox(0) are similar to the trends in pK(a). The effect of increased solvent polarity on absolute.E-ox(0) (and especially on para-meta-ortho differences) was found to be small. The redox properties of GFP chromophores are driven by their structure and can be correlated with IEs, which can be exploited in predicting the properties of other fluorescent protein chromophores.

}, doi = {10.1021/jz201353v}, author = {Solntsev, Kyril M. and Ghosh, Debashree and Amador, Adrian and Josowicz, Mira and Krylov, Anna I.} } @article { ISI:000293637800009, title = {Degradation of tannic acid by cold-adapted klebsiella sp NACASA1 and phytotoxicity assessment of tannic acid and its degradation products}, journal = {Environmental Science and Pollution Research}, volume = {18}, number = {7}, year = {2011}, month = {AUG}, pages = {1129-1138}, publisher = {SPRINGER HEIDELBERG}, address = {TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY}, abstract = {

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

}, keywords = {Cold-adapted bacterium, Phytotoxicity, Tannic acid degradation}, issn = {0944-1344}, doi = {10.1007/s11356-011-0468-6}, author = {Jadhav, Umesh and Kadu, Sudhir and Thokal, Nilesh and Padul, Manohar and Dawkar, Vishal V. and Chougale, Ashok D. and Salve, Abhay and Patil, Manoj} } @article { ISI: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:000298639800093, title = {Dielectric and spin relaxation behaviour in DyFeO3 nanocrystals}, journal = {Journal of Applied Physics}, volume = {110}, number = {12}, year = {2011}, month = {DEC}, pages = {124301}, publisher = {AMER INST PHYSICS}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {

We report the temperature and frequency dependent dielectric measurements and ac magnetic susceptibility of chemically synthesized DyFeO3 nanoparticles (size similar to 50-60 nm). The measurement of the dielectric properties was carried out in a broad temperature (20-325 K) and frequency (1-10(6) Hz) range. The non-Debye type dipolar relaxation phenomenon was observed in the DyFeO3 nanoparticles, as confirmed by the Cole-Cole plots. The higher values of epsilon{\textquoteright} at the lower frequencies are explained on the basis of the Maxwell-Wagner model. The Cole-Cole analysis enabled us to separate the contribution of relaxation times, resistance and capacitance in grain and grain boundaries in DyFeO3 nanocrystals. We found that with increasing temperature, the contribution of grain boundary resistance increases in comparison to the grain resistance. We also performed spin relaxation studies in a broad temperature and frequency range. Both the in-phase (chi{\textquoteright}) and out-of-phase (chi {\textquoteleft}{\textquoteright}) components of the ac magnetic susceptibilities of the DyFeO3 nanoparticles show a clear evidence at spin reorientation transition around 70K and T-N (Dy) around 4K as reported by us in our earlier study using the dc magnetic behaviour. (C) 2011 American Institute of Physics. [doi: 10.1063/1.3669154]

}, issn = {0021-8979}, doi = {10.1063/1.3669154}, author = {Jaiswal, Adhish and Das, Raja and Maity, Tuhin and Poddar, Pankaj} } @article { ISI:000297657400072, title = {Differential induction, purification and characterization of cold active lipase from Yarrowia lipolytica NCIM 3639}, journal = {Bioresource Technology}, volume = {102}, number = {22}, year = {2011}, month = {NOV}, pages = {10663-10670}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

The production, purification and characterization of cold active lipases by Yarrowia lipolytica NCIM 3639 is described. The study presents a new finding of production of cell bound and extracellular lipase activities depending upon the substrate used for growth. The strain produced cell bound and extracellular lipase activity when grown on olive oil and Tween 80, respectively. The organism grew profusely at 20 degrees C and at initial pH of 5.5, producing maximum extracellular lipase. The purified lipase has a molecular mass of 400 kDa having 20 subunits forming a multimeric native protein. Further the enzyme displayed an optimum pH of 5.0 and optimum temperature of 25 degrees C. Peptide mass finger printing reveled that some peptides showed homologues sequence (42\%) to Yarrowia lipolytica LIP8p. The studies on hydrolysis of racemic lavandulyl acetate revealed that extracellular and cell bound lipases show preference over the opposite antipodes of irregular monoterpene, lavandulyl acetate. (C) 2011 Elsevier Ltd. All rights reserved.

}, keywords = {Cell bound lipase, Cold active lipase, Extracellular lipase, Lavandulyl acetate, Oligomeric lipase}, issn = {0960-8524}, doi = {10.1016/j.biortech.2011.09.013}, author = {Yadav, K. N. Sathish and Adsul, Mukund G. and Bastawade, Kulbhushan B. and Jadhav, D. D. and Thulasiram, H. V. and Gokhale, D. V.} } @article { ISI:000290493000005, title = {Differentiation-inducing ability of sophorolipids of oleic and linoleic acids using a glioma cell line}, journal = {Biotechnology Journal}, volume = {6}, number = {5, SI}, year = {2011}, month = {MAY}, pages = {509-512}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {

Sophorolipids are biosurfactants produced by non-pathogenic yeasts. They show structural similarity with the membrane components of mammalian cells, i.e., glycosphingolipids and gangliosides, which are involved in processes such as signaling, oncogenesis, and differentiation. Sophorolipids have been reported to induce differentiation in several leukemic cell lines, cell death via apoptosis in a human liver cancer cell line, and necrosis in a pancreatic adenocarcinoma cell line. Here we report, for the first time, the effects of precursor fatty acids and sophorolipids of oleic and linoleic acids in pure acidic and crude forms on LN-229, a glioma cell line. In response to different sophorolipid forms, various morphological changes were observed, such as formation of long thread-like extensions arising from the ends of the cells, cell alignment, cell elongation and bundle formation in a dose-dependent manner. In this study we present the morphological evidence of the potential of sophorolipids as differentiation inducers.

}, keywords = {Differentiation, Glioma, LN-229, Sophorolipid}, issn = {1860-6768}, doi = {10.1002/biot.201000345}, author = {Joshi-Navare, Kasturi and Shiras, Anjali and Prabhune, Asmita} } @article { ISI:000300591700013, title = {Effect of inter-particle interactions on the magnetic properties of magnetite nanoparticles after coating with dextran}, journal = {International Journal of Nanotechnology}, volume = {8}, number = {10-12, SI}, year = {2011}, month = {JAN}, pages = {907-915}, publisher = {INDERSCIENCE ENTERPRISES LTD}, address = {WORLD TRADE CENTER BLDG, 29 ROUTE DE PRE-BOIS, CASE POSTALE 896, CH-1215 GENEVA, SWITZERLAND}, abstract = {

Nanoparticles of magnetite (Fe3O4) are synthesised by a coprecipitation method and coated with the biocompatible polymer, dextran. The uncoated and dextran coated magnetite nanoparticles are characterised by powder X-ray diffraction, infrared spectroscopy, transmission electron microscopy, and magnetic measurements. The magnetic properties of the uncoated and coated magnetite nanoparticles are compared to study the effect of inter-particle magnetic interactions on the magnetic characteristics. Absence of magnetic hysteresis at room temperature indicates the superparamagnetic nature of the two samples. Evidence for the effect of reduced inter-particle magnetic interactions is directly obtained from the field dependence of magnetisation at room temperature. The decreased superparamagnetic blocking temperature and the nature and shape of the field cooled magnetisation curve of the dextran coated sample further confirmed that the inter-particle magnetic interactions are completely suppressed after coating.

}, keywords = {dextran coating, magnetic interactions, magnetic properties, magnetite, Nanoparticles}, issn = {1475-7435}, author = {Sreeja, V. and Joy, Pattayil Alias} } @article { ISI:000289149900115, title = {Effect of particle size and annealing on spin and phonon behavior in TbMnO3}, journal = {Journal of Applied Physics}, volume = {109}, number = {6}, year = {2011}, month = {MAR}, pages = {064309}, publisher = {AMER INST PHYSICS}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {

Interest has grown to study TbMnO3 as it was recently reported to show a gigantic magnetoelectric effect. Here, we report the synthesis and detailed magnetic and Raman spectroscopy study on TbMnO3 particles of size similar to 25 nm and 2-3 mu m, respectively. The incommensurate-commensurate (lock-in) transition, usually observed at 27 K for bulk phase of TbMnO3 was not observed in susceptibility versus T curve but was seen at 30 K in the coercivity versus T curve in similar to 25 nm particles. This transition, which is due to the spin modulation length scale, gets weakened in nanosize due to the increased intrinsic lattice strain observed in 2-3 mu m particles, due to the effect of increased particle size. The increased value of magnetization in the 2-3 mu m sample was attributed to double exchange interactions between Mn+3 and Mn+4 spins. The role of annealing related effects on the fate of the Neel temperature for TbMnO3 was investigated. Raman spectroscopy indicated a decrease in the lattice distortion for similar to 25 nm particles. (c) 2011 American Institute of Physics. [doi:10.1063/1.3563571]

}, issn = {0021-8979}, doi = {10.1063/1.3563571}, author = {Das, Raja and Jaiswal, Adhish and Adyanthaya, Suguna D. and Poddar, Pankaj} } @article { ISI:000295921500010, title = {Employing homoenolates generated by NHC catalysis in carbon-carbon bond-forming reactions: state of the art}, journal = {Chemical Society Reviews}, volume = {40}, number = {11}, year = {2011}, month = {JUL}, pages = {5336-5346}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Homoenolate is a reactive intermediate that possesses an anionic or nucleophilic carbon beta to a carbonyl group or its synthetic equivalent. The recent discovery that homoenolates can be generated from alpha,beta-unsaturated aldehydes via N-Heterocyclic Carbene (NHC) catalysis has led to the development of a number of new reactions. A majority of such reactions include the use of carbon-based electrophiles, such as aldehydes, imines, enones, dienones etc. resulting in the formation of a variety of annulated as well as acyclic products. The easy availability of chiral NHCs has allowed the development of very efficient enantioselective variants of these reactions also. The tolerance showed by NHCs towards magnesium and titanium based Lewis acids has been exploited in the invention of cooperative catalytic processes. This tutorial review focuses on these and other types of homoenolate reactions reported recently, and in the process, updates the previous account published in 2008 in this journal.

}, issn = {0306-0012}, doi = {10.1039/c1cs15139h}, author = {Nair, Vijay and Menon, Rajeev S. and Biju, Akkattu T. and Sinu, C. R. and Paul, Rony Rajan and Jose, Anu and Sreekumar, Vellalath} } @article { ISI:000296725000043, title = {Enhanced dielectric permittivity in poly (vinylidene) fluoride/multiwalled carbon nanotubes nanocomposite thin films fabricated by pulsed laser deposition}, journal = {Applied Surface Science}, volume = {258}, number = {3}, year = {2011}, month = {NOV}, pages = {1256-1260}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The fabrication of high quality thin films of poly (vinylidene fluoride) embedded with multiwalled carbon nanotubes using pulsed laser deposition technique is reported. The prepared films were characterized for structural, morphology and dielectric properties. The morphology analysis revealed uniform dispersion of multiwalled carbon nanotubes throughout the polymer matrix. X-ray diffraction results suggested that the poly (vinylidene fluoride) film is in amorphous phase while addition of multiwalled carbon nanotubes showed presence of crystalline peaks in the nanocomposites films. It was interesting to note that the nanocomposite films exhibits significant enhancement of the ferroelectric beta-phase as evidenced by the X-ray diffraction and Fourier transform infrared spectroscopy results. The dielectric analysis shows a remarkable enhancement in the dielectric permittivity of nanocomposites with lower loss and conductivity level. The results can be attributed to the formation of minicapacitor network and relatively higher percolation threshold in the nanocomposites. (C) 2011 Elsevier B.V. All rights reserved.

}, keywords = {Dielectric permittivity, Ferroelectric polymer, Percolation threshold, pulsed laser deposition, Thin films}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2011.09.087}, author = {Chanmal, Chetan and Deo, Meenal S. and Jog, Jyoti Prakash} } @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:000296390600030, title = {Experimental and computational approach of understanding the gas adsorption in amino functionalized interpenetrated metal organic frameworks (MOFs)}, journal = {Journal of Materials Chemistry}, volume = {21}, number = {44}, year = {2011}, month = {OCT}, pages = {17737-17745}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Two isostructural, three dimensional, interpenetrated, amino (-NH2) functionalized Metal Organic Frameworks [Cd(ANIC)(2)] (Cd-ANIC-1) and [Co(ANIC)(2)] (Co-ANIC-1) with amine-lined pores have been reported. The framework adopts dia topology with interpenetration. Cd-ANIC-1 and Co-ANIC-1 show high CO2 (273 K) and H-2 (77 K) uptake due to the presence of free -NH2 groups and framework interpenetration. The effect of interpenetration and amino functionalization on gas uptake properties of MOFs has been analysed experimentally and computationally, in the isostructural MOFs Cd-ANIC-1 and Co-ANIC-1.

}, issn = {0959-9428}, doi = {10.1039/c1jm13762j}, author = {Pachfule, Pradip and Chen, Yifei and Jiang, Jianwen and Banerjee, Rahul} } @article { ISI:000288979400008, title = {Facile synthesis of N-benzylated 3-alkyl-2,6-diarylpiperidin-4-ones: Stereochemical investigation by 1D/2D NMR and single-crystal XRD}, journal = {Journal of Molecular Structure}, volume = {990}, number = {1-3}, year = {2011}, month = {MAR}, pages = {44-56}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A series of thirteen 1-benzyl-3-alkyl-2,6-diarylpiperidin-4-ones 14-26 were conveniently synthesized in high yields 87-92\%. In order to find the impact on piperidone stereochemistry, beside the N-benzylation, methyl/ethyl/isopropyl groups at C-3 and halo/alkyl/alkoxy/benzyloxy groups on the phenyl rings at C-2/C-6 were introduced. All the synthesized compounds were characterized by mass, (1)H and (13)C NMR spectral studies. Of them, the 1-benzyl-3-ethyl-2,6-diphenylpiperidin-4-one 22 was completely characterized by 2D NMR techniques such as (1)H-(1)H COSY, (1)H-(13)C COSY and NOESY to assign the signals, unambiguously. The proton coupling constants and NOE correlations provided the complete stereochemistry of 22, which is further witnessed by its single-crystal XRD analysis. The NMR and XRD studies revealed that the compound 22 exists in a chair conformation with equatorial orientation of all the substituents in both solution and solid states. On the basis of their vicinal coupling constants, the chair conformation with equatorial orientation of the substituents at C-2, C-3, C-6 and N is proposed for all compounds 14-26; moreover, a considerable population of boat conformation also suggested for the compound 26 along with the predominant chair conformation, in solution. (C) 2011 Elsevier B.V. All rights reserved.

}, keywords = {2D NMR, Conformation, N-benzylation, Piperidin-4-one, single-crystal XRD, Stereochemistry}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2010.12.054}, author = {Dindulkar, Someshwar D. and Parthiban, Paramasivam and Puranik, Vedavati G. and Jeong, Yeon Tae} } @article { ISI:000299031600049, title = {Ferroelectric and electrical characterization of multiferroic BiFeO3 at the single nanoparticle level}, journal = {Applied Physics Letters}, volume = {99}, number = {25}, year = {2011}, month = {DEC}, pages = {Article No. 252905}, publisher = {AMER INST PHYSICS}, type = {Article}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {

Ferroelectric BiFeO3 (BFO) nanoparticles deposited on epitaxial substrates of SrRuO3 (SRO) and La1-xSrxMnO3 (LSMO) were studied using band excitation piezoresponse spectroscopy (BEPS), piezoresponse force microscopy (PFM), and ferromagnetic resonance (FMR). BEPS confirms that the nanoparticles are ferroelectric in nature. Switching behavior of nanoparticle clusters were studied and showed evidence for inhomogeneous switching. The dimensionality of domains within nanoparticles was found to be fractal in nature, with a dimensionality constant of similar to 1.4, on par with ferroelectric BFO thin-films under 100 nm in thickness. Ferromagnetic resonance studies indicate BFO nanoparticles only weakly affect the magnetic response of LSMO. (C) 2011 American Institute of Physics. [doi: 10.1063/1.3671392]

}, issn = {0003-6951}, doi = {10.1063/1.3671392}, author = {Vasudevan, R. K. and Bogle, Kashinath A. and Kumar, A. and Jesse, S. and Magaraggia, R. and Stamps, R. and Ogale, Satishchandra B. and Potdar, H. S. and Nagarajan, V.} } @article { ISI:000290015600029, title = {Field emission studies of silver nanoparticles synthesized by electron cyclotron resonance plasma}, journal = {Applied Surface Science}, volume = {257}, number = {16}, year = {2011}, month = {JUN}, pages = {7184-7189}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Field emission has been studied for silver nanoparticles (25-200 nm), deposited within a cylindrical silver target in an electron cyclotron resonance (ECR) plasma. Particle size distribution was controlled by optimum biasing voltages between the chamber and the target. Presence of non-oxidized silver was confirmed from the X-Ray diffraction analysis; however, thin protective layer of oxide was identified from the selective area electron diffraction pattern obtained with transmission electron microscopy. The silver nanoparticles were seen to exhibit hilly pointed like structures when viewed under the atomic force microscopy (AFM). The emissive properties of these particles were investigated by field emission microscopy. It is found that this technique of deposition is ideal for formation of nanoparticles films on different substrate geometries with size controllability as well as its application to emission devices. (C) 2011 Elsevier B.V. All rights reserved.

}, keywords = {Cold plasma, field emission, Nanoparticles, thin film}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2011.03.088}, author = {Purohit, Vishwas and Mazumder, Baishakhi and Bhise, Ashok B. and Poddar, Pankaj and Joag, Dilip S. and Bhoraskar, S. V.} } @article { ISI:000295564100011, title = {Formal synthesis of valiolamine from myo-inositol}, journal = {Tetrahedron}, volume = {67}, number = {41}, year = {2011}, month = {OCT}, pages = {7963-7970}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

An efficient formal synthesis of racemic valiolamine starting from readily available myo-inositol is reported. In all the synthetic steps only one regioisomer is formed, which circumvents laborious purification of products. Regioselective benzylation of myo-inositol orthoformate, super-hydride mediated deoxygenation of a cyclitol derivative and stereoselective addition of dichloromethyllithium to an inosose are the key reactions in the synthesis. (C) 2011 Elsevier Ltd. All rights reserved.

}, keywords = {Amino sugar, Carbohydrate, Cyclitol, Inositol, Natural product, Valiolamine}, issn = {0040-4020}, doi = {10.1016/j.tet.2011.08.027}, author = {Jagdhane, Rajendra C. and Shashidhar, Mysore S.} } @article { ISI:000291323000062, title = {Fractal impeller for stirred tank reactors}, journal = {Industrial \& Engineering Chemistry Research}, volume = {50}, number = {12}, year = {2011}, month = {JUN}, pages = {7667-7676}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Stirred tank reactors are used for variety of applications at different scales of operation. The conventional impellers tend to develop regions having nonuniform energy dissipation rates in the stirred reactor. In this work, we propose a novel fractal impeller, which helps in reducing such nonuniformities and help develop a uniform randomness throughout the reactor. The impeller geometry is discussed in detail. Experimental measurements of the power consumption, mixing time, suspension quality, and the ability for gas dispersion were carried out, and the performance is compared with the conventional impellers. The impeller is seen to have a low power number, and it can generate a uniform suspension of particles even at relatively lower impeller speeds and can efficiently disperse gas into liquid to yield relatively higher gas hold-up values. The Fourier analysis of the power consumption time series data indicates that no specific prominent frequency events exist in the reactor, and the spectrum showed several frequency events to exist in the reactor with almost identical prominence.

}, issn = {0888-5885}, doi = {10.1021/ie200301y}, author = {Kulkarni, Amol A. and Jha, Neha and Singh, Abhishek and Bhatnagar, Sumit and Kulkarni, Bhaskar D.} } @article { ISI:000298512600004, title = {Improved synthesis and resolution of cis- and trans-2,3-diphenyl morpholines}, journal = {Tetrahedron-Asymmetry}, volume = {22}, number = {20-22}, year = {2011}, month = {NOV}, pages = {1861-1864}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

An improved procedure for the synthesis of cis- and trans-2,3-diphenyl morpholines with good overall yield is described. The stereoisomers were efficiently resolved through the corresponding diastereomeric salts using tartaric acid and (R)-mandelic acid. (C) 2011 Elsevier Ltd. All rights reserved.

}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2011.11.004}, author = {Jagtap, Ravindra S. and Joshi, Navalkishore N.} } @article { ISI:000293492300024, title = {Influence of Al3+ insertion in the stannosilicate MFI framework on the catalytic performance in vapor phase aniline N-methylation}, journal = {Applied Catalysis A-General}, volume = {401}, number = {1-2}, year = {2011}, month = {JUL}, pages = {182-188}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Silica-based Sn-MFI, Al-MFI and Al-Sn-MFI molecular sieves were synthesized by hydrothermal crystallization of gels having molar compositions SiO2:xSnO(2):yAl(2)O(3):0.23 (TPA)(2)O:35H(2)O, where x ranges from 1/0 to 1/200 and y from 1/0 to 1/400. Keeping molar Si/(Al + Sn) = 50, the amount of tin and aluminum in hydrogel was varied (Sn:Al molar ratios = 1:0, 1:0.33, 1:1, 1:3, 0:1) to investigate the synergy between Lewis and Bronsted acid sites in acid catalyzed aniline N-methylation reaction. Catalyst characterization was done by Powder X-ray diffraction, DRUV-vis spectroscopy, temperature programmed ammonia desorption (TPAD) and FTIR spectroscopy. An increase in the Al3+ insertion in Sn-MFI framework resulted in the increase in the stronger acid sites. Al-Sn-MFI showed higher aniline conversion than their monometallic counterparts. A sample having B/L ratio in between 0.67 and 0.91 was found to be optimum for maximizing the NMA yield, indicating the existence synergistic properties of Al-Sn-MFI. Upon process parameter optimization, the optimum sample M50 [Si/Al = 50.2, Si/Sn = 93.8, Si/(Al + Sn) = 43.2] showed the maximum aniline conversion (67\%) and NMA selectivity (81\%) at reaction temperature = 220 degrees C, weight hourly space velocity (WHSV) = 3 h(-1), molar ratio (aniline to methanol) = 1:8 and TOS = 4 h. (C) 2011 Elsevier B.V. All rights reserved.

}, keywords = {Al-Sn-MFI, Aniline, Bronsted and Lewis acid, Methanol, N-methylaniline}, issn = {0926-860X}, doi = {10.1016/j.apcata.2011.05.019}, author = {Niphadkar, P. S. and Joshi, P. N. and Deshpande, Suvarna S. and Bokade, Vijay V.} } @article { ISI:000293196800041, title = {Isobutrin from butea monosperma (flame of the forest): a promising new natural sensitizer belonging to chalcone class}, journal = {ACS Applied Materials \& Interfaces}, volume = {3}, number = {7}, year = {2011}, month = {JUL}, pages = {2440-2444}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

In this work, {\textquoteleft}{\textquoteleft}isobutrin{\textquoteright}{\textquoteright}, an ecofriendly sensitizer that is extracted from Butea monosperma (commonly known as {\textquoteleft}{\textquoteleft}Flame of the Forest{\textquoteright}{\textquoteright}) flowers, is introduced. It is a bright yellow pigment belonging to the chalcone class and is examined as a sensitizer for optoelectronic applications. It is observed that chelation of this dye with Ti ions results into a strong dye-TiO(2) charge transfer (DTCT) band in the visible region. This Ti-Isobutrin chelate is stable, irreversible and its formation is studied using Benesi-Hildebrand plot. The locations of HOMO-LUMO states of the Ti-isobutrin chelate and the corresponding band alignment with TiO(2) are obtained. Also, a thermal stability test revealed that isobutrin is stable above 100 degrees C.

}, keywords = {Butea monosperma, chalcone, dye-sensitized solar cell, isobutrin, sensitizer, TiO(2)}, issn = {1944-8244}, doi = {10.1021/am200341y}, author = {Agarkar, Shruti A. and Kulkarni, Roshan R. and Dhas, Vivek V. and Chinchansure, Ashish A. and Hazra, Partha and Joshi, Swati P. and Ogale, Satishchandra B.} } @article { ISI:000288015800010, title = {Kinetics of hydroformylation of 1-octene in ionic liquid-organic biphasic media using rhodium sulfoxantphos catalyst}, journal = {Chemical Engineering Science}, volume = {66}, number = {8}, year = {2011}, month = {APR}, pages = {1631-1639}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Biphasic hydroformylation of 1-octene was performed using rhodium sulfoxantphos catalyst dissolved in [BuPy][BF(4)] ionic liquid. Preliminary experiments proved this system to retain the catalytic complex within the ionic liquid phase and to maintain a high selectivity towards the linear aldehyde (n:iso ratio of 30) over several cycles. Process parameter investigation showed a first order dependence of the initial rate with respect to the catalyst and 1-octene concentrations, but a more complex behavior with respect to hydrogen (fractional order) and carbon monoxide partial pressures (inhibition at high pressures). Different mathematical models were selected based on the trends observed and evaluated for data fitting. Also, rate models were derived from a proposed mechanism, using Christiansen matrix approach. To calculate concentrations of substrates in the catalytic phase as required by this kinetic modeling, solubility measurements were preformed for the gases (pressure drop technique), as well as for 1-octene and n-nonanal (thermogravimetry analysis). (C) 2011 Elsevier Ltd. All rights reserved.

}, keywords = {Biphasic catalysis, Butylpyridinium tetrafluoroborate, kinetics, Parameter identification, Reaction engineering, solubility}, issn = {0009-2509}, doi = {10.1016/j.ces.2010.12.040}, author = {Deshpande, R. M. and Kelkar, Ashutosh A. and Sharma, A. and Julcour-Lebigue, C. and Delmas, Henri} } @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:000289763700026, title = {Low temperature pH dependent synthesis of flower-like ZnO nanostructures with enhanced photocatalytic activity}, journal = {Materials Research Bulletin}, volume = {46}, number = {5}, year = {2011}, month = {MAY}, pages = {771-778}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

In the present study we have synthesized flower-like ZnO nanostructures comprising of nanobelts of 20 nm width by template and surfactant free low-temperature (4 degrees C) aqueous solution route. The ZnO nanostructures exhibit flower-like morphology, having crystalline hexagonal wurtzite structure with (001) orientation. The flowers with size between 600 and 700 nm consist of ZnO units having crystallite size of similar to 40 nm. Chemical and structural characterization reveals a significant role of precursor: ligand molar ratio, pH, and temperature in the formation of single-step flower-like ZnO at low temperature. Plausible growth mechanism for the formation of flower-like structure has been discussed in detail. Photoluminescence studies confirm formation of ZnO with the defects in crystal structure. The flower-like ZnO nanostructures exhibit enhanced photochemical degradation of methylene blue (MB) with the increased concentration of ligand, indicating attribution of structural features in the photocatalytic properties. (C) 2010 Elsevier Ltd. All rights reserved.

}, keywords = {Catalytic properties, Defects, Nanostructures, Optical properties, Semiconductor}, issn = {0025-5408}, doi = {10.1016/j.materresbull.2010.11.007}, author = {Vaishampayan, Mukta V. and Mulla, Imtiaz S. and Joshi, Satyawati S.} } @article { ISI:000285408700002, title = {Low thermal emissive surface properties of ZnO/polyimide composites prepared by pulsed laser deposition}, journal = {Applied Surface Science}, volume = {257}, number = {6}, year = {2011}, month = {JAN}, pages = {1824-1828}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

We report the low thermal-emissive surface properties of composites of ZnO-polyimide. The composites were synthesized by depositing ZnO on polyimide surface by pulsed laser deposition technique. ZnO target was ablated at different incident energy densities and the substrate (polyimide) was held at elevated temperature. This facilitated the c-axis oriented growth of ZnO, which was inferred from the X-ray diffraction analysis. The composites consisted of multilayers having different electrical resistivities. The values of which are also estimated from Hagen-Rubens relation. The reduced infrared emissivities of the composite films, as compared to polyimide, were correlated to the increased carrier concentration and reduced surface resistivity estimated from the Hall measurements. (C) 2010 Elsevier B.V. All rights reserved.

}, keywords = {pulsed laser deposition, Thermal emissivity, Thin films, Zinc oxide}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2010.08.083}, author = {Babrekar, Harshada A. and Jejurikar, S. M. and Jog, Jyoti Prakash and Adhi, K. P. and Bhoraskar, S. V.} } @article { ISI:000293175800026, title = {Maghemite (hematite) core (shell) nanorods via thermolysis of a molecular solid of Fe-complex}, journal = {Dalton Transactions}, volume = {40}, number = {31}, year = {2011}, month = {2011}, pages = {8003-8011}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

An Fe-metal complex with 2{\textquoteright}-hydroxy chalcone (2{\textquoteright}-HC) ligands [Fe(III) (2{\textquoteright}-hydroxy chalcone) 3] is synthesized by a chemical route and is subjected to different thermal treatments. Upon thermolysis in air at 450 degrees C for 3 h the complex yields maghemite (gamma-Fe(2)O(3)) nanorods with a thin hematite (alpha-Fe(2)O(3)) shell. X-Ray diffraction (XRD), Mossbauer spectroscopy, diffuse reflectance spectroscopy (UV-DRS), high resolution transmission electron microscopy (HR-TEM), field emission scanning electron microscopy (FE-SEM) and vibrating sample magnetometry (VSM) are used to characterize the samples. The stability of the ligand and the Fe-complex is further examined by using thermogravimmetric/differential thermal analysis (TGA/DTA). We suggest a residual ligand controlled mechanism for the formation of an anisotropic nanostructure in a crumbling molecular solid undergoing ligand decomposition. Since the band gap of iron oxide is in the visible range, we explored the use of our core shell nano-rod sample for photocatalytic activity for H(2) generation by H(2)S splitting under solar light. We observed high photocatalytic activity for hydrogen generation (75 ml h(-1)).

}, issn = {1477-9226}, doi = {10.1039/c1dt10319a}, author = {Chaudhari, N. S. and Warule, S. S. and Muduli, Subas and Kale, B. B. and Jouen, Samuel and Lefez, Benoit and Hannoyer, Beatrice and Ogale, Satishchandra B.} } @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:000289518000002, title = {Magnetite/CdTe magnetic-fluorescent composite nanosystem for magnetic separation and bio-imaging}, journal = {Nanotechnology}, volume = {22}, number = {22}, year = {2011}, month = {JUN}, pages = {Article No. 225101}, publisher = {IOP PUBLISHING LTD}, type = {Article}, address = {TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND}, abstract = {

A new synthesis protocol is described to obtain a CdTe decorated magnetite bifunctional nanosystem via dodecylamine (DDA) as cross linker. High resolution transmission electron microscopy (HRTEM), energy-dispersive x-ray spectroscopy (EDAX), vibrating sample magnetometry (VSM), Fourier transform infrared spectroscopy (FTIR), diffuse reflectance spectroscopy (DRS) and fluorescence microscopy are used to characterize the constitution, size, composition and physical properties of these superparamagnetic-fluorescent nanoparticles. These CdTe decorated magnetite nanoparticles were then functionalized with anti-epidermal growth factor receptor (EGFR) antibody to specifically target cells expressing this receptor. The EGFR is a transmembrane glycoprotein and is expressed on tumor cells from different tissue origins including human leukemic cell line Molt-4 cells. The magnetite-CdTe composite nanosystem is shown to perform excellently for specific selection, magnetic separation and fluorescent detection of EGFR positive Molt-4 cells from a mixed population. Flow cytometry and confocal laser scanning microscopy results show that this composite nanosystem has great potential in antibody functionalized magnetic separation and imaging of cells using cell surface receptor antibody.

}, issn = {0957-4484}, doi = {10.1088/0957-4484/22/22/225101}, author = {Kale, Anup and Kale, Sonia and Yadav, Prasad and Gholap, Haribhau and Pasricha, Renu and Jog, Jyoti Prakash and Lefez, Benoit and Hannoyer, Beatrice and Shastry, Padma and Ogale, Satishchandra B.} } @article { ISI:000290345300002, title = {Mapping of QTLs governing agronomic and yield traits in chickpea}, journal = {Journal of Applied Genetics}, volume = {52}, number = {1}, year = {2011}, month = {FEB}, pages = {9-21}, publisher = {SPRINGER HEIDELBERG}, address = {TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY}, abstract = {

Chickpea is one of the most important leguminous cool season food crops, cultivated prevalently in South Asia and Middle East. The main objective of this study was to identify quantitative trait loci (QTLs) associated with seven agronomic and yield traits in two recombinant inbred line populations of chickpea derived from the crosses JG62xVijay (JV population) and VijayxICC4958 (VI population) from at least three environments. Single locus QTL analysis involved composite interval mapping (CIM) for individual traits and multiple-trait composite interval mapping (MCIM) for correlated traits to detect pleiotropic QTLs. Two-locus analysis was conducted to identify the main effect QTLs (M-QTLs), epistatic QTLs (E-QTLs) and QTL x environment interactions. Through CIM analysis, a total of 106 significant QTLs (41 in JV and 65 in VI populations) were identified for the seven traits, of which one QTL each for plant height and days to maturity was common in both the populations. Six pleiotropic QTLs that were consistent over the environments were also identified. LG2 in JV and LG1a in VI contained at least one QTL for each trait. Hence, concentrating on these LGs in molecular breeding programs is most likely to bring simultaneous improvement in these traits.

}, keywords = {Cicer arietinum, QTL analysis, QTL x environment interaction, Two-locus analysis, Yield traits}, issn = {1234-1983}, doi = {10.1007/s13353-010-0016-y}, author = {Gowda, S. J. M. and Radhika, P. and Mhase, L. B. and Jamadagni, B. M. and Gupta, V. S. and Kadoo, Narendra Y.} } @article { ISI:000292455700027, title = {Money handling and obesity: a test of the exaptation hypothesis}, journal = {Current Science}, volume = {100}, number = {11}, year = {2011}, month = {JUN}, pages = {1695-1700}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

The food reward centres in the brain play a central role in the regulation of food intake and thereby obesity. In the modern lifestyle, a number of artificial rewards such as money have been introduced and brain areas evolved for handling food rewards appear to be exapted to handle money and other rewards. This implies that the changing behaviour related to these rewards could influence obesity. Considering money as a reward, we conducted a survey of 211 full-time cashiers to test whether ownership over cash, amount of cash handled and duration of cash-handling work correlated with obesity parameters. Body mass index was significantly affected by sex, ownership, amount of money handled and duration of cash-handling service. Waist-to-hip ratio was significantly affected by sex, amount of money handled and marginally by ownership. The results are compatible with the exaptation hypothesis. It is possible that increasing importance of non-food rewards may play a significant role in the obesity epidemic.

}, keywords = {Body weight, economics of obesity, exaptation hypothesis, money handling}, issn = {0011-3891}, author = {Karve, Shraddha and Shurpali, Ketaki and Dahanukar, Neelesh and Paranjape, Sharayu and Jog, Maithili and Belsare, Prajakta and Watve, Milind} } @article { ISI:000288189100018, title = {Nanostructured spinet ZnCo2O4 for the detection of LPG}, journal = {Sensors and Actuators B-Chemical}, volume = {152}, number = {1}, year = {2011}, month = {FEB}, pages = {121-129}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Nanostrucutred spinel ZnCo2O4 (similar to 26-30 nm) was synthesized by calcining the mixed precursor (consisting of cobalt hydroxyl carbonate and zinc hydroxyl carbonate) in air at 600 degrees C for 5 h. The mixed precursor was prepared through a low cost and simple co-precipitation/digestion method. The transformation of the mixed precursor into nanostructured spinel ZnCO2O4 upon calcinations was confirmed by X-ray diffraction (XRD) measurement, thermogravimetric analysis (TGA), X-ray photoelectron spectroscopy (XPS) and high resolution transmission electron microscopy (HRTEM). To demonstrate the potential applicability of ZnCo2O4 spinel in the fabrication of gas sensors, its LPG sensing characteristics were systematically investigated. The ZnCo2O4 spinel exhibited outstanding gas sensing characteristics such as, higher gas response (similar to 72-50 ppm LPG gas at 350 degrees C), response time (similar to 85-90 s), recovery time (similar to 75-80 s), excellent repeatability, good selectivity and relatively lower operating temperature (similar to 350 degrees C). The experimental results demonstrated that the nanostructured spinel ZnCo2O4 is a very promising material for the fabrication of LPG sensors with good sensing characteristics. Plausible LPG sensing mechanism is also discussed. (c) 2010 Elsevier B.V. All rights reserved.

}, keywords = {HRTEM, LPG sensor, Nanostructured ZnCo2O4, Semiconductor gas sensors, XPS}, issn = {0925-4005}, doi = {10.1016/j.snb.2010.09.001}, author = {Vijayanand, Subramanian and Joy, Pattayil Alias and Potdar, Hari S. and Patil, Dewyani and Patil, Pradip} } @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:000295068300093, title = {Novel route for rapid biosynthesis of lead nanoparticles using aqueous extract of Jatropha curcas L. latex}, journal = {Materials Letters}, volume = {65}, number = {19-20}, year = {2011}, month = {OCT}, pages = {3170-3172}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

We are reporting a novel, low-cost and eco-friendly route for rapid synthesis of lead nanoparticles by using 0.5\% aqueous extract of Jatropha curcas L latex. Lead nanoparticles were characterized initially by UV-vis spectroscopy and shown distinct peak at 218 nm. This peak was highly specific for lead nanoparticles. Formation of Pb (0) was confirmed by X-ray diffraction technique (XRD).Transmission electron microscopy (TEM) was performed for estimating the size and shape of nanoparticles. The average size of lead nanoparticles was found to be in the range of 10 to 12.5 nm. Energy dispersive analysis of X-rays (EDAX) showed distinct peaks of lead. Fourier Transform Infrared Spectroscopy (FTIR) were performed to find the role of cyclic peptides namely curcacycline A (an octapeptide) and curcacycline B (a nonapeptide) as a possible reducing and capping agents present in the latex of Jatropha curcas L. Lead nanoparticles formed by the above method were monodisperse. (C) 2011 Elsevier B.V. All rights reserved.

}, keywords = {FTIR, Latex, Lead nanoparticles, Nanoparticles}, issn = {0167-577X}, doi = {10.1016/j.matlet.2011.06.075}, author = {Joglekar, Shriram and Kodam, Kisan M. and Dhaygude, Mayur and Hudlikar, Manish} } @article { ISI:000295665400063, title = {Optical and photocatalytic properties of single crystalline ZnO at the air-liquid interface by an aminolytic reaction}, journal = {Langmuir}, volume = {27}, number = {20}, year = {2011}, month = {OCT}, pages = {12751-12759}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Crystalline flowerlike ZnO was synthesized by an aminolytic reaction at the air-liquid interface in an aqueous media at an alkaline pH. A thin visible film was formed at the air-liquid interface by self-assembly of flowerlike ZnO. Diffraction studies show rearrangement of the single crystalline units at the air-liquid interface leading to the formation of nanobelts. These nanobelts overlap systematically to form petals of the flowerlike structure; individual petals get curved with time. Each nanobelt is found to be single crystalline and can be indexed as the hexagonal ZnO phase. The organic product formed in the aminolytic reaction and dissolution-reprecipitation mechanism is the driving force for the formation of flowerlike ZnO at the air-liquid interface. A clear relationship between the surface, photocatalytic, and photoluminescent properties of ZnO is observed. The flowerlike structure exhibits a blue shift (3.56 eV) in the band emission as compared to bulk ZnO (3.37 eV). The photodegradation of methylene blue over the flowerlike ZnO catalyst formed at the air-liquid interface and in the sediments shows enhanced photocatalytic activity. The sub-bands formed due to surface defects facilitate separation of charge carriers increasing their lifetime, leading to enhanced photocatalytic activity of flowerlike ZnO.

}, issn = {0743-7463}, doi = {10.1021/la203006n}, author = {Vaishampayan, Mukta V. and Mulla, Imtiaz S. and Joshi, Satyawati S.} } @article { ISI:000286850000004, title = {Oxidative carbonylation of amine using water-soluble palladium catalysts in biphasic media}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {334}, number = {1-2}, year = {2011}, month = {JAN}, pages = {20-28}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Application of water-soluble palladium catalysts for oxidative carbonylation of aniline to N,N{\textquoteright} diphenyl urea (DPU) has been reported. The water-soluble palladium catalysts prepared from sulfonated N-containing ligands were found to be highly stable under reaction conditions and easily recyclable due to insoluble urea product in the reaction medium. This is in contrast to the sulfonated phosphine ligands, which are vulnerable to oxidation under reaction conditions, showing poor activity and stability. Commercially available as well as laboratory synthesized ligands were used for preparing water-soluble palladium catalysts, for oxidative carbonylation of aniline. The best activity was obtained for Pd complex with disodium 2,2{\textquoteright}-bipyridine-4,4{\textquoteright}-disulfonate (Bipy-DS) ligand. Under optimized conditions Pd(BipyDS)Pd(OAc)(2) catalyst gave TOF of similar to 210h(-1) with aniline conversion of similar to 97\% with similar to 91\% selectivity for N.N{\textquoteright}-diphenyl urea. It was found that the catalyst was easily reusable up to five times, with negligible loss in the catalytic activity. The effect of reaction parameters was investigated and a plausible reaction mechanism has been proposed. (C) 2010 Elsevier B.V. All rights reserved.

}, keywords = {Amine, Biphasic catalysis, Carbonylation, Urea, Water-soluble palladium catalyst}, issn = {1381-1169}, doi = {10.1016/j.molcata.2010.10.018}, author = {Didgikar, Mahesh R. and Joshi, Sunil S. and Gupte, Sunil P. and Diwakar, Makarand M. and Deshpande, Raj Madhukar and Chaudhari, Raghunath V.} } @article { ISI: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:000294345100006, title = {Purification and characterization of bacterial aryl alcohol oxidase from sphingobacterium sp ATM and Its uses in textile dye decolorization}, journal = {Biotechnology and Bioprocess Engineering}, volume = {16}, number = {4}, year = {2011}, month = {AUG}, pages = {661-668}, publisher = {KOREAN SOC BIOTECHNOLOGY \& BIOENGINEERING}, address = {KOREAN SCIENCE TECHNOLOGY CENTER, \#704 YEOGSAM-DONG, KANGNAM-KU, SEOUL 135-703, SOUTH KOREA}, abstract = {

Aryl alcohol oxidase (AAO) produced by dye decolorizing bacteria Sphingobacterium sp. ATM, was purified 22.63 fold to a specific activity of 21.75 mu mol/min/mg protein using anion exchange and size exclusion chromatography. The molecular weight of the purified AAO was found to be 71 kDa using sodium dodecyl sulfate polyacrylamide gel electrophoresis (SDS-PAGE), and confirmed by zymography of AAO using L-dopa. The enzyme showed substrate specificity towards veratryl alcohol, followed by n-propanol. The optimum pH and temperature of purified AAO were found to be 3.0 and 40 degrees C, respectively. The K(m) and V(max) of AAO was 1.1615 mM and 3.13 mM/min when veratryl alcohol was used as substrate. Sodium azide showed maximum inhibition while ethylenediamine tetra acetic acid (EDTA), L-cysteine and dithiothreitol showed slight inhibition. Metal ions also showed slight inhibition. HPLC analysis confirmed the degradation of Direct Red 5B. The metabolite obtained after decolorization of Direct Red 5B was characterized as 3 diazenyl 7 [-(phenyl carbonyl) amino] naphthalene-2-sulfonic acid using GC-MS analysis.

}, keywords = {aryl alcohol oxidase, Direct Red 5B, dye decolorization, ion exchange chromatography, Sphingobacterium sp ATM}, issn = {1226-8372}, doi = {10.1007/s12257-011-0031-9}, author = {Tamboli, Dhawal P. and Telke, Amar A. and Dawkar, Vishal V. and Jadhav, Shekhar B. and Govindwar, Sanjay P.} } @article { ISI:000295422000005, title = {Sesquiterpene lactone, a potent drug molecule from artemisia pallens wall with anti-inflammatory activity}, journal = {Arzneimittel-Forschung-Drug Research}, volume = {61}, number = {9}, year = {2011}, month = {DEC}, pages = {510-514}, publisher = {ECV-EDITIO CANTOR VERLAG MEDIZIN NATURWISSENSCHAFTEN}, address = {BANDELSTOCKWEG 20, POSTFACH 1255, D-88322 AULENDORF, GERMANY}, abstract = {

The present study was carried out to investigate the anti-inflammatory activities of bioactive secondary metabolites of Artemisia pallens Wall, an aromatic herb from family Asteraceae. The results provide evidence for the topical anti-inflammatory properties of Artemisia pallens Wall. The compounds were isolated from the acetone extract of the plant material. The isolates were tested on Swiss albino mice using 12-O-tetradecanoyl phorbol-13-acetate (TPA) induced ear edema. One of the molecules from the extract indicated potent anti-inflammatory activity equivalent to indometacin (CAS 53-86-1). Elucidation of the molecular structures by single crystal x-ray diffraction studies revealed the conformational differences that the six membered rings in both the molecules are at an angle of 28.79 degrees. Presence of hydroxy function for compound 2 may be responsible for higher potency.

}, keywords = {Anti-inflammatory activity, Artemisia pollens, Asteraceae, Mice, Single crystal x-ray structure}, issn = {0004-4172}, author = {Ruikar, Anjali D. and Misar, Ashwini V. and Jadhav, Ravindra B. and Rojatkar, Supada R. and Mujumdar, Arvind M. and Puranik, Vedavati G. and Deshpande, Nirmala R.} } @article { ISI: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 { ISI:000292161300005, title = {Streptomyces nucleases}, journal = {Critical Reviews in Microbiology}, volume = {37}, number = {3}, year = {2011}, month = {AUG}, pages = {227-236}, publisher = {INFORMA HEALTHCARE}, address = {52 VANDERBILT AVE, NEW YORK, NY 10017 USA}, abstract = {

Streptomyces nucleases are widely distributed and multifunctional enzymes acting on both DNA and RNA. They occur extra as well as intracellularly and can be classified under sugar specific and sugar non-specific nucleases. Nucleases play different roles like analytical, biological, and nutritional. They are also used in programmed cell death. Although more than 20 nucleases are reported to date, very little information is available regarding their structure-function relationship, active site based sequence homology, and the probable mechanism of action. This review describes the history, occurrence, localization, production, purification, properties, and applications of Streptomyces nucleases.

}, keywords = {Applications, Endonuclease, extracellular, production, Purification, Substrate specificity}, issn = {1040-841X}, doi = {10.3109/1040841X.2011.562173}, author = {Joshi, Amruta Pramod and Deshmukh, Sumedha Sharad} } @article { ISI:000296306600025, title = {Strong electric field modulation of transport in PVDF/MWCNT nanocomposite near the percolation threshold}, journal = {Solid State Communications}, volume = {151}, number = {21}, year = {2011}, month = {NOV}, pages = {1612-1615}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A nanocomposite comprising of multiwalled carbon nanotubes (MWCNT) embedded in ferroelectric Poly(vinylidene fluoride) PVDF polymer matrix is examined for electric field induced transport modulation. The pulsed laser deposition (PLD) grown thin films of the nanocomposite with different MWCNT content were characterized. When used as a channel layer in a field effect transistor configuration, a strong electric field modulation of the transport was realized just below the percolation threshold. We believe that this nanocomposite non-percolating channel concept can provide several opportunities for FET devices for organic electronics. (C) 2011 Elsevier Ltd. All rights reserved.

}, keywords = {Field effect device, pulsed laser deposition, PVDF, Scanning tunneling microscopy}, issn = {0038-1098}, doi = {10.1016/j.ssc.2011.07.018}, author = {Chanmal, Chetan and Deo, Meenal S. and Rana, Abhimanyu and Jog, Jyoti Prakash and Ogale, Satishchandra B.} } @article { ISI:000296659000032, title = {Strong photo-response in a flip-chip nanowire p-Cu2O/n-ZnO junction}, journal = {Nanoscale}, volume = {3}, number = {11}, year = {2011}, month = {OCT}, pages = {4706-4712}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Cu2O nanoneedles are synthesized on a copper substrate by a simple anodization and reducing ambient annealing protocol. ZnO nanorods are grown on ITO coated glass by a low temperature chemical route. The electronic and photo-response properties of the p-Cu2O/n-ZnO flip-chip heterojunction are then studied and analyzed. We show that the I-V characteristic is rectifying and the junction exhibits a good photoresponse (similar to 120\% under 1 V reverse bias) under AM 1.5 (1 Sun) illumination. This nano-heterojunction photo-response is far stronger as compared to that of a pulsed laser deposited thin film p-Cu2O/n-ZnO heterojunction, which can be attributed to higher junction area in the former case.

}, issn = {2040-3364}, doi = {10.1039/c1nr10665a}, author = {Deo, Meenal S. and Mujawar, Sarfraj and Game, Onkar S. and Yengantiwar, Ashish and Banpurkar, Arun G. and Kulkarni, Sneha and Jog, Jyoti Prakash and Ogale, Satishchandra B.} } @article { ISI:000291294100029, title = {Structural isomerism and effect of fluorination on gas adsorption in copper-tetrazolate based metal organic frameworks}, journal = {Chemistry of Materials}, volume = {23}, number = {11}, year = {2011}, month = {JUN}, pages = {2908-2916}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Synthesis, structure, and gas adsorption properties of three Metal Organic Frameworks (MOFs) synthesized from predesigned ligands 4-(1H-tetrazole-5-yl)benzoic acid (4-TBA) and 2-fluoro-4-(1H-tetrazole-5-yl)benzoic acid (2F-4-TBA) along with Cu(II) as an metal precursor has been reported. Among these MOFs, Cu-9(4-TBA)(10)(C2H5OH)(2) (Cu-TBA-1) and Cu-2(4-TBA)(2)(DMF)(C2H5OH) (Cu-TBA-2) are structural isomers. Whereas, Cu-2(4-TBA)(2)(DMF)(C2H5OH) (Cu-TBA-2) and Cu-2(2-F-4-TBA)(2)(DMF)(2) (Cu-TBA-2F) have similar crystal structure. N-2 adsorption isotherms of the activated sample of Cu-TBA-1 and -2 exhibit types-I sorption behavior with a Langmuir and Brunauer-Emmett-Teller (BET) surface area of 686, 402 m(2)/g and 616, 356 m(2)/g, respectively. It is noteworthy that Cu-TBA-1 and -2 adsorbs 1.16 and, 1.54 wt \% H-2, while Cu-TBA-2F adsorbs 0.67 wt \% at 77 K and 1 atm. On the other hand, Cu-TBA-1 and -2 adsorb 3.08 and 2.54 mmol/g, while Cu-TBA-2F adsorbs 1.27 mmol/g of CO2 at 298 K and 1 bar pressure. H-2 adsorption sites in Cu-TBA-2 and -2F have been analyzed by molecular simulation.

}, keywords = {CO2 adsorption, fluorination, Hydrogen storage, Metal-organic framework, structural isomerism}, issn = {0897-4756}, doi = {10.1021/cm2004352}, author = {Pachfule, Pradip and Chen, Yifei and Sahoo, Subash Chandra and Jiang, Jianwen and Banerjee, Rahul} } @article { ISI:000293826800006, title = {Structural, magnetic and mossbauer spectral studies of nanocrystalline Ni0.5Zn0.5Fe2O4 ferrite powders}, journal = {Journal of Alloys and Compounds}, volume = {509}, number = {37}, year = {2011}, month = {SEP}, pages = {8999-9004}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Nanocrystalline Ni0.5Zn0.5Fe2O4 powders, synthesized by a combustion method are investigated by X-ray diffraction, vibrating sample magnetometry and Mossbauer spectroscopic techniques. We adopt a strategy to systematically control the particle sizes between 4 and 45 nm simply by changing the elemental stoichiometric coefficient, Phi(e), of the combustion mixture. Curie temperature of the superparamagnetic particles of size 4 nm is higher than that of the bulk particles. Interestingly, bigger particles (45 nm) show a comparable room temperature saturation magnetization and exceptionally very high Curie temperature of 833 K, when compared to that of the bulk Ni0.5Zn0.5Fe2O4 material (563 K). (C) 2011 Elsevier B. V. All rights reserved.

}, keywords = {Chemical synthesis, Magnetisation, Mossbauer spectroscopy, Nanostructured materials}, issn = {0925-8388}, doi = {10.1016/j.jallcom.2011.06.047}, author = {Verma, Seema and Joy, Pattayil Alias and Kurian, Sajith} } @article { ISI:000287338100007, title = {Surface effects on morin transition, exchange bias, and enchanced spin reorientation in chemically synthesized DyFeO3 nanoparticles}, journal = {Journal of Physical Chemistry C}, volume = {115}, number = {7}, year = {2011}, month = {FEB}, pages = {2954-2960}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A giant linear magnetoelectric effect was observed by Y. Tokura{\textquoteright}s group recently in multiferroic DyFeO3, which demands a detailed investigation of its magnetic properties. Additionally, there is little information on the changes of chemical and physical properties of these materials with the reduction in particle size in spite of the potential applications of these materials nanoscale devices. As the wet-chemical synthesis of these materials in nanosize and getting a control over crystallinity and stoichiometry is nontrivial and poses a serious challenge prohibiting the study of their size-dependent properties. Here, we report the synthesis of DyFeO3 nanoparticles using a surfactantless hydrothermal method with a detailed magnetic property measurement. The as-synthesized DyFeO3 nanoparticles showed excellent crystallinitywith average particle size in the range 50-60 nm. The structural analysis indicated that they are of a distorted orthorhombic pervoslcite crystal structure. Detailed dc magnetization measurements in the temperature range of 3-350 K could isolate the presence of Dy3+-Fe3+ and Dy3+-Dy3+ superexchange interactions, which showed up as spin reorientation transitions in various temperature regions due to the differing magnitude of their interactions resulting in continuous rotation of antiferromagnetic component of Fe3+ spins with cooling of the sample. Nanosized DyFeO3 showed spin-reorientation transitions near 315 and 70K due to the Dy3+-Fe3+ interaction accompanied with an opening up of the hysteresis loop followed by antiferromagnetic ordering around 4 K due to a possible Dy3+-Dy3+ interaction. We also observed significant effect of the particle size reduction on the magnetic properties. The main effects seen. by us were in terms of (1) pronounced spontaneous spin reorientation transitions, (2) the absence of Morin transition, and (3) presence of temperature-dependent exchange bias in the DyFeO3 nanoparticles. We present a detailed mechanism to explain these features based on the interplay of Dy3+ and Fe3+ spins as well surface disorder, anisotropy, canting, and so forth.

}, issn = {1932-7447}, doi = {10.1021/jp109313w}, author = {Jaiswal, Adhish and Das, Raja and Adyanthaya, Suguna D. and Poddar, Pankaj} } @article { ISI:000296674400011, title = {Synthesis and characterization of bifunctional ethenylene bridged mesoporous organoaluminosilicates}, journal = {Nanoscience and Nanotechnology Letters}, volume = {3}, number = {4}, year = {2011}, month = {AUG}, pages = {497-502}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USA}, abstract = {

Bifunctional mesoporous organosilicas having -CH=CH- bridges and aluminium in tetrahedral coordination with tailorable pore sizes have been synthesized using a one-step templating method using cationic surfactants of different chain lengths. Unlike the conventional EtOH-HCl template extraction process, EtOH-NH(4)NO(3) was used as the surfactant-extracting medium and chemical analysis results suggest that through this procedure the mesoporous structure can be retained and dealumination can be minimized. The surfactant-extracted mesoporous solids display high surface area, pore volume and the pore size of the material varies in the range 2.6-3.6 nm, with respect to the alkyl chain length of the cationic surfactant. XRD and nitrogen physisorption studies further proved that the organosilicas are hydro thermally stable than the conventional Al-MCM-41 materials and their better stability is attributed to the thick pore walls as well as due to the presence of hydrophobic bridging ethenylene groups in the wall positions. The coupling of Al(4) with -CH=CH- bridges offer new prospects for the application of periodic mesoporous organosilicas in heterogeneous catalysis.

}, keywords = {Aluminium, Cationic Surfactants, Hydrothermal stability, Organosilicas}, issn = {1941-4900}, doi = {10.1166/nnl.2011.1196}, author = {Shylesh, S. and Kapoor, Mahendra P. and Juneja, Lekh R. and Srilakshmi, Ch. and Singh, A. P.} } @article { ISI:000287058100062, title = {Synthesis and characterization of chemically deposited nickel substituted CdSe thin film}, journal = {Journal of Alloys and Compounds}, volume = {509}, number = {6}, year = {2011}, month = {FEB}, pages = {2948-2951}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

The technologically important Cd(0.5)Ni(0.5)Se thin film has been developed by solution growth technique on non-conducting glass substrate in tartarate bath containing Cd(+2), Ni(+2) ions and sodium selenosulphate in an aqueous alkaline medium at room temperature. Various preparative conditions of the thin films are outlined. The films were characterized by X-ray diffraction, scanning electron microscope, optical absorption and electrical measurements. The X-ray diffraction study indicates that the film is polycrystalline in nature with hexagonal phase. Scanning electron micrograph shows that the film is homogeneous with well-defined grains. The films have high optical absorption coefficient. Thermoelectric power measurement shows p-type conduction mechanism. (C) 2010 Elsevier B.V. All rights reserved.

}, keywords = {Chemical synthesis, Crystal growth, Electrical conductivity, thin film}, issn = {0925-8388}, doi = {10.1016/j.jallcom.2010.11.165}, author = {Hankare, P. P. and Jadhav, B. V. and Chate, P. A. and Sathe, D. J. and Mulla, Imtiaz S.} } @article { ISI:000292555200034, title = {Synthesis and characterization of cobalt substituted zinc ferri-chromites prepared by sol-gel auto-combustion method}, journal = {Journal of Materials Science-Materials in Electronics}, volume = {22}, number = {8}, year = {2011}, month = {AUG}, pages = {1109-1115}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

Mixed metal oxides having spinel structure shows interesting structural properties. In the present investigation, cobalt substituted zinc ferri-chromites were prepared by sol-gel auto-combustion method. The completion of solid state reaction and the formation of spinel phase were identified using X-ray diffraction technique. All the compounds exhibit cubic spinel symmetry and lattice constant shows an irregular trend with substitution of Co. Infra-red spectral studies shows an two strong bands, one around 600 cm(-1) which is attributed to the intrinsic vibrations of tetrahedral complexes and the other at 400 cm(-1) is due to octahedral one. The morphology and size of the particles was found out by scanning electron microscopy while the elemental compositions by elemental dispersive X-ray spectroscopy. The various compounds of the present system Zn1-xCoxFeCrO4 were also investigated for their thermal and electronic studies.

}, issn = {0957-4522}, doi = {10.1007/s10854-010-0268-7}, author = {Hankare, P. P. and Vader, V. T. and Sankpal, U. B. and Patil, R. P. and Jadhav, A. V. and Mulla, Imtiaz S.} } @article { ISI:000289003000012, title = {Synthesis and optical studies of GdCrO3 nanoparticles}, journal = {Journal of Nanoparticle Research}, volume = {13}, number = {3}, year = {2011}, month = {MAR}, pages = {1019-1027}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

{Here we report for the first time, a detailed synthesis mechanism of GdCrO3 nanoparticles using a surfactant-less hydrothermal method. We also report a detailed study of their structural and optical properties. The selected area electron diffraction and powder X-ray diffraction studies of GdCrO3 nanoparticles show pure phase and excellent crystallinity with average particle size around 50-60 nm. The structural analysis indicates a distorted perovskite crystal structure with lattice parameter values of a = 5.3099 +/- A 0.0022

}, keywords = {hydrothermal, Nanoparticles, Rare earth orthochromites}, issn = {1388-0764}, doi = {10.1007/s11051-010-0090-4}, author = {Jaiswal, Adhish and Das, Raja and Adyanthaya, Suguna D. and Poddar, Pankaj} } @article { ISI: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:000291725100012, title = {Synthesis of Cu-ZnO and C-ZnO nanoneedle arrays on zinc foil by low temperature oxidation route: effect of buffer layers on growth, optical and field emission properties}, journal = {Applied Surface Science}, volume = {257}, number = {20}, year = {2011}, month = {AUG}, pages = {8366-8372}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Different densities of ZnO nanoneedle films have been prepared by pre-coated zinc foils with thin layer of copper and carbon followed by thermal oxidation at 400 degrees C in air. The X-ray diffraction patterns show well defined peaks, which could be indexed to the wurtzite hexagonal phase of ZnO. The scanning electron microscope images clearly reveal formation of ZnO needles on the entire substrate surface. The X-ray photoelectron spectroscopy studies indicate that Cu and C ions are incorporated into the ZnO lattice. Photoluminescence studies evaluate different emission bands originated from different defect mechanism. From the field emission studies, the threshold field, required to draw emission current density of similar to 100 mu A/cm(2), is observed to be 2.25 V/mu m and 1.57 V/mu m for annealed zinc foil pre-coated with copper and carbon, respectively. The annealed film with copper layer exhibits good emission current stability at the pre-set value of similar to 100 mu A over a duration of 4 h. The results show that buffer layer is an important factor to control the growth rate, resulting in different density of ZnO needles, which leads to field emission properties. This method may have potential in fabrication of electron sources for high current density applications. (C) 2011 Elsevier B. V. All rights reserved.

}, keywords = {Buffer layer, Carbon, Copper, field emission, Nanoneedle, ZnO}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2011.04.023}, author = {Jamali-Sheini, Farid and Patil, K. R. and Joag, Dilip S. and More, Mahendra A.} } @article { ISI:000288218300045, title = {Synthesis of single crystalline CdS nanocombs and their application in photo-sensitive field emission switches}, journal = {Nanoscale}, volume = {3}, number = {3}, year = {2011}, month = {JAN}, pages = {1078-1083}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Single crystalline CdS nanocombs were synthesized by a thermal evaporation route. The photo-sensitive field emission current shows a reproducible switching behavior, with a rise in current level of nearly five times the initial preset value of similar to 1 mu A. An ultra low turn-on field, required to draw an emission current density of similar to 0.1 mu A cm(-2) (100 nA), is found to be similar to 0.26 V mu m(-1) (260 V), which is much lower than the reported values for various other CdS nanostructures. Upon illumination with visible light the CdS nanocombs act as a photo field emission switch. At an applied field of similar to 0.65 V mu m(-1) the current densities are observed to be similar to 14.6 mu A cm(-2) and similar to 26.9 mu A cm(-2), without and with light illumination, respectively. The average emission current is seen to be stable over the duration of measurement for two preset values. The high sensitivity and fast response in the visible range indicates that the CdS nanocombs can be used as a photo-sensitive field emitting switch in device applications, and also in pulsed electron beam technology.

}, issn = {2040-3364}, doi = {10.1039/c0nr00659a}, author = {Chavan, Padmakar G. and Badadhe, Satish S. and Mulla, Imtiaz S. and More, Mahendra A. and Joag, Dilip S.} } @article { ISI:000294586400026, title = {TiO2 nanoparticle size dependence of porosity, adsorption and catalytic activity}, journal = {Colloids and Surfaces A-Physicochemical and Engineering Aspects}, volume = {385}, number = {1-3}, year = {2011}, month = {JUN}, pages = {195-200}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The issue of size-sensitivity of the surface properties of anatase TiO2 is addressed by examining three samples synthesized by aqueous sol-gel method having different particle sizes on the nanoscale (8-19 nm). A number of characterization methods, namely, X-ray powder diffractometry, infrared spectroscopy, UV-vis diffuse reflectance spectroscopy, sorptiometry and electron microscopy are employed. The data obtained reveal interrelated dependencies of the surface area, porosity, nitrogen and pyridine adsorption capacity and strength, and catalytic methylbutynol decomposition activity on the size of titania nanoparticles. Pertinent size-dependent bulk properties are also revealed and used to account for the changes conceded by the surface properties. Accordingly, going from 19 to 8-nm sized titania particles has been found to stabilize the anatase structure, weaken the surface acidity, and blueshift the UV absorption edge of titania. (C) 2011 Elsevier B.V. All rights reserved.

}, keywords = {Catalytic methylbutynol decomposition activity, Nano-titania, Particle size dependencies, Pyridine sorptiometry, Surface texture}, issn = {0927-7757}, doi = {10.1016/j.colsurfa.2011.06.010}, author = {Zaki, Mohamed I. and Fouad, Nasr E. and Mekhemer, Gamal A. H. and Jagadale, Tushar C. and Ogale, Satishchandra B.} } @article { ISI:000286868600075, title = {Toward an understanding of the molecular level properties of ziegler-natta catalyst support with and without the internal electron donor}, journal = {Journal of Physical Chemistry C}, volume = {115}, number = {5}, year = {2011}, month = {FEB}, pages = {1952-1960}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Two Ziegler-Natta catalysts supported on molecular adducts, namely, MgCl2 center dot 6EtOH (ME) and MgCl2 center dot 5EtOH center dot EtOOCPh (Est-ME), have been prepared. A systematic effort has been made to unravel the molecular level structure property relationships of the catalysts and adducts. Ethylbenzoate is an internal electron donor, and its in situ formation through EtOH+PhCOCl coupling is successfully achieved. The above adduct has been treated with TiCl4, and the resultant catalyst (Ti/Est-ME) is evaluated for ethylene polymerization activity. Rand C-13 CP/MAS NMR of Est-ME (Ti/Est-ME) show carbonyl features at 1730 (1680) cm(-1) and 169 (170) delta, respectively, providing direct support for the presence of ester as an integral part. In spite of low surface area, Ti/Est-ME gives higher yield for ethylene polymerization than the one derived from ME. The results indicate that electronic environment is more important than surface area or any other single factor in determining the polymerization activity.

}, issn = {1932-7447}, doi = {10.1021/jp1078289}, author = {Thushara, K. S. and Gnanakumar, Edwin S. and Mathew, Renny and Jha, Ratnesh Kumar and Ajithkumar, Thalasseril G. and Rajamohanan, P. R. and Sarma, Krishna and Padmanabhan, Sudhakar and Bhaduri, Sumit and Gopinath, Chinnakonda S.} } @article {43239, title = {What drives the redox properties of model green fluorescence protein chromophores?}, journal = {Journal of Physical Chemistry Letters}, volume = {2}, year = {2011}, month = {SEP}, abstract = {We report the first experimental determination of the oxidation potentials E-ox(0). (relative to the standard hydrogen electrode, SHE) of model green fluorescent protein (GFP) chromophores. Para-, meta, and ortho-hydroxy (4-hydroxybenzylidene-2,3-dimethylimidazolinone, HBDI) and methoxy (MeOBDI) derivatives were studied. E-ox(0) of the three isomers in acetonitrile are -1.31, -1.52, and -1.39 V, respectively. Electronic structure calculations reproduce the observed differences between the isomers and reveal that E-ox(0) follows the ionization energies (IEs), that is, p-MeOBDI has the lowest IE (6.96 eV in the gas phase) due to resonance stabilization of its cation, whereas the resonance is detuned in m-MeOBDL resulting in more-negative E-ox(0). The observed meta and ortho effects in E-ox(0) are similar to the trends in pK(a). The effect of increased solvent polarity on absolute.E-ox(0) (and especially on para-meta-ortho differences) was found to be small. The redox properties of GFP chromophores are driven by their structure and can be correlated with IEs, which can be exploited in predicting the properties of other fluorescent protein chromophores.}, doi = {10.1021/jz2011397}, author = {Solntsev, Kyril M. and Ghosh, Debashree and Amador, Adrian and Josowicz, Mira and Krylov, Anna I.} } @article { ISI:000311056800010, title = {3D Hexaporous carbon assembled from single-layer graphene as high performance supercapacitor}, journal = {Chemsuschem}, volume = {5}, number = {11}, year = {2012}, month = {OCT}, pages = {2159-2164}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, keywords = {Electrochemistry, Energy storage, graphene, porous materials, Supercapacitors}, issn = {1864-5631}, doi = {10.1002/cssc.201200421}, author = {Yadav, Prasad and Banerjee, Abhik and Unni, Sreekuttan and Jog, Jyoti Prakash and Kurungot, Sreekumar and Ogale, Satishchandra} } @article { ISI:000298518600028, title = {Adsorption induced enzyme denaturation: the role of protein surface in adsorption induced protein denaturation on allyl glycidyl ether (AGE)-ethylene glycol dimethacrylate (EGDM) copolymers}, journal = {Colloids and Surfaces B-Biointerfaces}, volume = {90}, year = {2012}, month = {FEB}, pages = {184-190}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {1-Cyclohexyl-2-pyrrolidinone, Adsorption, Alcohol dehydrogenase, Alkaline phosphatase, allyl glycidyl ether, Denaturation, ethylene glycol dimethacrylate, Glucose dehydrogenase, Trypsin}, issn = {0927-7765}, doi = {10.1016/j.colsurfb.2011.10.022}, author = {Thudi, Lahari and Jasti, Lakshmi Swarnalatha and Swarnalatha, Y. and Fadnavis, Nitin W. and Mulani, Khudbudin Baban and Deokar, Sarika Babasaheb and Ponrathnam, Surendra} } @article { ISI:000303003300023, title = {Adsorption mechanism and collapse propensities of the full-length, monomeric A beta(1-42) on the surface of a single-walled carbon nanotube: a molecular dynamics simulation study}, journal = {Biophysical Journal}, volume = {102}, number = {8}, year = {2012}, month = {APR}, pages = {1889-1896}, publisher = {CELL PRESS}, address = {600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA}, abstract = {

Though nanomaterials such as carbon nanotubes have gained recent attention in biology and medicine, there are few studies at the single-molecule level that explore their interactions with disease-causing proteins. Using atomistic molecular-dynamics simulations, we have investigated the interactions of the monomeric A beta(1-42) peptide with a single-walled carbon nanotube of small diameter. Starting with peptide-nanotube complexes that delineate the interactions of different segments of the peptide, we find rapid convergence in the peptide{\textquoteright}s adsorption behavior on the nanotube surface, manifested in its arrested movement, the convergence of peptide-nanotube contact areas and approach distances, and in increased peptide wrapping around the nanotube. In systems where the N-terminal domain is initially distal from nanotube, the adsorption phenomena are initiated by interactions arising from the central hydrophobic core, and precipitated by those arising from the N-terminal residues. Our simulations and free energy calculations together demonstrate that the presence of the nanotube increases the energetic favorability of the open state. We note that the observation of peptide localization could be leveraged for site-specific drug delivery, while the decreased propensity of collapse appears promising for altering kinetics of the peptide{\textquoteright}s self-assembly.

}, issn = {0006-3495}, doi = {10.1016/j.bpj.2012.03.036}, author = {Jana, Asis K. and Sengupta, Neelanjana} } @article { ISI:000321561205175, title = {Adsorption of the full length amyloid beta peptide on the carbon nanotube surface and the thermodynamic implications for fibrillogenesis}, journal = {Biophysical Journal}, volume = {102}, number = {3, 1}, year = {2012}, note = {56th Annual Meeting of the Biophysical-Society, San Diego, CA, FEB 25-29, 2012}, month = {JAN}, pages = {732A-733A}, publisher = {Biophys Soc}, address = {600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA}, issn = {0006-3495}, author = {Sengupta, Neelanjana and Jana, Asis K.} } @article { ISI:000308957700010, title = {Alpha-geminal dihydroxymethyl piperidine and pyrrolidine iminosugars: synthesis, conformational analysis, glycosidase inhibitory activity, and molecular docking studies}, journal = {Journal of Organic Chemistry}, volume = {77}, number = {18}, year = {2012}, month = {SEP}, pages = {7873-7882}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The Jocic-Reeve and Corey-Link type reaction of dichloromethyllithium with suitably protected 5-keto-hexofuranoses followed by treatment with sodium azide and sodium borohydride reduction gave 5-azido-5-hydroxylmethyl substituted hexofuranoses 7a-c with required geminal dihydroxymethyl group. Removal of protecting groups and converting the C-1 anomeric carbon into free hemiacetal followed by intramolecular reductive aminocyclization with in situ generated C5-amino functionality afforded corresponding 5C-dihydroxymethyl piperidine iminosugars 2a-c. Alternatively, removal of protecting groups in 7b and 7c and chopping of C1-anomeric carbon gave C2-aldehyde that on intramolecular reductive aminocyclization with CS-amino gave 4C-dihydroxyrnethyl pyrrolidine iminosugars 1b and 1c, respectively. On the basis of the H-1 NMR studies, the conformations of 2a/2b were assigned as C-4(1) and that of 2c as C-1(4). The glycosidase inhibitory activities of all five iminosugars were studied with various glycosidase enzymes and compared with natural o-g/uco-l-deoxynojirimycin (DNJ). All the five compounds were found to be potent inhibitors of rice alpha-glucosidase with K-i and IC50 values in the nanomolar concentration range. Iminosugars 2b and 1b were found to be more potent inhibitors than their parent iminosugar. These results were substantiated by in silico molecular docking studies.

}, issn = {0022-3263}, doi = {10.1021/jo3009534}, author = {Pawar, Nitin J. and Parihar, Vijay Singh and Chavan, Sanjay T. and Joshi, Rakesh S. and Joshi, Pranaya V. and Sabharwal, Sushma G. and Puranik, Vedavati G. and Dhavale, Dilip D.} } @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:000302296000032, title = {Behaviour of density functional theory for electric response properties at distorted geometries of molecules}, journal = {Theoretical Chemistry Accounts}, volume = {131}, number = {2}, year = {2012}, month = {FEB}, pages = {1094}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

The role of exchange-correlation is well known for accurate calculations of electric response properties. The exchange-correlation functional in density functional theory (DFT) has been well studied for ground state equilibrium geometry. However, the behaviour of these functional in stretched geometries, where static correlation play an important role, has not been studied systematically, particularly for response electric properties. Thus, we present here the rigorous calculation of electric response properties at distorted geometries of the molecules. We have considered dipole polarizability and dipole-quadrupole polarizability for description of role of static and dynamic correlation for electric response properties. The calculations are performed with our new approach, noniterative approximation to coupled-perturbed Kohn-Sham method. These DFT results are compared with higher level ab initio such as coupled perturbed singles and doubles and fully correlated full CI. We have studied single, double and triple-bonded systems at different inter-nuclear separation. We report here the dipole polarizability and dipole-quadrupole polarizability of HF, BH, H2CO, CO and NO+. We also present the effect of basis and functional on polarizability and dipole-quadrupole polarizability.

}, keywords = {DFT, Dipole-dipole polarizability, Dipole-quadrupole polarizability, Distorted geometry, NIA-CPKS}, issn = {1432-881X}, doi = {10.1007/s00214-012-1094-1}, author = {Shedge, Sapana V. and Joshi, Sayali P. and Pal, Sourav} } @article {43072, title = {Bioanalytical method development and validation of levalbuterol a β2-adrenergic agonist by RP-HPLC method}, journal = {International Journal of Pharmacy and Pharmaceutical Sciences}, volume = {4}, year = {2012}, month = {MAR}, pages = {249-253}, author = {Ghemud, A. S. and Santhakumari, B. and Pharne, A. B. and Jadhav, M. M. and Jain, K. S. and Kulkarni, Mahesh J.} } @article {43069, title = {Bioanalytical method development and validation of vildagliptin a novel dipeptidyl peptidase IV inhibitor by RP-HPLC method}, journal = {International Journal of Pharmacy and Pharmaceutical Sciences}, volume = {4}, year = {2012}, month = {JUN}, pages = {119-123}, abstract = {

A simple, selective, rapid, precise and economical Reverse-Phase HPLC method has been developed and validated for quantitative determination of vildagliptin in plasma. Vildagliptin is a potent dipeptidyl peptidase IV inhibitor used for treatment of diabetes. Tolbutamide is used as an internal standard. The method was carried out with UV Spectrophotometric detection using a Perkin Elmer Series 200 HPLC system equipped with XBridge Shield C18 column (3.5 μm, 4.6x150mm) and a guard column of the same type, at a flow rate of 1.0mL/min. Detection was carried out at 210 nm. The mobile phase consisted of 50mM ammonium bicarbonate (pH 7.8) (solvent A) and acetonitrile (solvent B). The retention times of vildagliptin and tolbutamide were 11.2 min and 13.4 min respectively. The method was developed and tested for linearity range of 10μg/ml to 120μg/ml. The developed method was validated in terms of selectivity, accuracy, precision, linearity, and stability study. The proposed method uses less biological material and the method is MS compatible also. Method can be applicable for pharmacokinetic studies using HPLC or LC-MS.

}, author = {Pharne, A. B. and Santhakumari, B. and Ghemud, A. S. and Jain, H. K. and Kulkarni, Mahesh J.} } @article { ISI:000312233600006, title = {Carbon nanoscrolls by pyrolysis of a polymer}, journal = {Solid State Communications}, volume = {152}, number = {23}, year = {2012}, month = {DEC}, pages = {2092-2095}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

3D network of carbon nanoscrolls was synthesized starting from pyrolysis of poly(acrylic acid-co-maleic acid) sodium salt. It is a catalyst-free process where pyrolysis of polymer leads to formation of carbon form and sodium carbonate. Upon water soaking of pyrolysis product, the carbon form undergoes self-assembly to form carbon nanoscrolls. The interlayer distance between the walls of carbon nanoscroll was found to be 0.34 nm and the carbon nanoscrolls exhibited a surface area of 188 m(2)/g as measured by the BET method. (c) 2012 Elsevier Ltd. All rights reserved.

}, keywords = {Carbon nanoscrolls, Polymer, Pyrolysis, supercapacitor}, issn = {0038-1098}, doi = {10.1016/j.ssc.2012.08.029}, author = {Yadav, Prasad and Warule, Sambhaji and Jog, Jyoti Prakash and Ogale, Satishchandra B.} } @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:000303153800009, title = {Characterization of biocompatible NiCo2O4 nanoparticles for applications in hyperthermia and drug delivery}, journal = {Nanomedicine-Nanotechnology Biology and Medicine}, volume = {8}, number = {4}, year = {2012}, month = {MAY}, pages = {452-459}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Monodispersed, superparamagnetic nickel cobaltite (NCO) nanoparticles were functionalized using mercaptopropionic acid (MPA). MPA conjugates with NCO forming a metal-carboxylate linkage, with the MPA-MPA interaction occurring via formation of disulfide bonds, leaving another carboxyl end free for additional conjugation. The cytotoxicity studies on NCO-MPA show cell viability of similar to 100\% up to a dosage of 40 mu g/mL on SiHa, MCF7, and B16F10 cell lines, and on mouse primary fibroblasts. Time-dependent cell viability studies done for a duration of 72 hours showed the cell lines{\textquoteright} viability up to 80\% for dosages as high as 80 mu g/mL. Negligible leaching (\<5 ppm) of ionic Co or Ni was noted into the delivery medium. Upon subjecting the NCO-MPA dispersion (0.1 mg/mL) to radiofrequency absorption, the nanoparticles were heated to 75 degrees C within 2 minutes, suggesting its promise as a magnetic hyperthermia agent. Furthermore, the amino acid lysine and the drug cephalexin were successfully adducted to the NCO system, suggesting its potential for drug delivery. From the Clinical Editor: NCO-MPA nanopartciles were found to be promising magnetic hyperthermia agents, suggesting potential future clinical applications. (C) 2012 Elsevier Inc. All rights reserved.

}, keywords = {Cytotoxicity, drug delivery, Magnetic hyperthermia, Magnetic nanoparticles}, issn = {1549-9634}, doi = {10.1016/j.nano.2011.07.010}, author = {Kale, Sangeeta N. and Jadhav, Anil D. and Verma, Seema and Koppikar, Soumya J. and Kaul-Ghanekar, Ruchika and Dhole, Sanjay D. and Ogale, Satishchandra B.} } @article {43321, title = {ChIP-Seq data analysis: identification of protein-DNA binding sites with SISSRs peak-finder}, journal = {Methods in molecular biology}, volume = {802}, year = {2012}, month = {JAN}, pages = {305-22}, abstract = {Protein-DNA interactions play key roles in determining gene-expression programs during cellular development and differentiation. Chromatin immunoprecipitation (ChIP) is the most widely used assay for probing such interactions. With recent advances in sequencing technology, ChIP-Seq, an approach that combines ChIP and next-generation parallel sequencing is fast becoming the method of choice for mapping protein-DNA interactions on a genome-wide scale. Here, we briefly review the ChIP-Seq approach for mapping protein-DNA interactions and describe the use of the SISSRs peak-finder, a software tool for precise identification of protein-DNA binding sites from sequencing data generated using ChIP-Seq.}, doi = {10.1007/978-1-61779-400-1_20}, author = {Narlikar, Leelavati and Jothi, Raja} } @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:000313298000007, title = {Conducting polyanilline based paints on hot dip galvanized low carbon steel for corrosion protection}, journal = {Bulgarian Chemical Communications}, volume = {44}, number = {4}, year = {2012}, month = {JAN}, pages = {318-323}, publisher = {BULGARIAN ACAD SCIENCE}, type = {Article}, address = {CENTRAL LIBRARY 7 NOEMVRI NO 1, SOFIA, 00000, BULGARIA}, abstract = {

Conducting polyaniline based paints have been applied on hot dip galvanized low carbon steel samples. The corrosion protection performance of these paint coatings was evaluated by using Tafel plots and impedance spectroscopy. It was found that the paint coatings offered significant corrosion protection to hot dip galvanized low carbon steel in aqueous 3.5 wt \% NaCl solution.

}, keywords = {Conducting polyaniline based paints, corrosion prevention, hot dip galvanized low carbon steel}, issn = {0324-1130}, author = {Deshpande, P. and Vagge, S. and Jagtap, Sharmili and Khiarnar, R. and Kelkar, Sarika A. and More, Minal} } @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:000304646100048, title = {Development of genomic simple sequence repeat markers for linseed using next-generation sequencing technology}, journal = {Molecular Breeding}, volume = {30}, number = {1}, year = {2012}, month = {JUN}, pages = {597-606}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

Linseed (Linum usitatissimum L.) is regarded as a cash crop of tomorrow because of the presence of nutraceutically important alpha-linolenic acid (ALA) and lignan. However, only limited breeding progress has been made in this crop, mainly due to the lack of sufficient genetic and genomic resources. Among these, simple sequence repeats (SSR) are useful DNA markers for diversity analysis, genetic mapping and tagging traits because of their co-dominant and highly polymorphic nature. In order to develop SSR markers for linseed, we used three microsatellite isolation methods, viz., PCR Isolation of Microsatellite Arrays (PIMA), 5{\textquoteright}-anchored PCR method, and Fast Isolation by AFLP of Sequences COntaining repeats (FIASCO). The amplified products from these methods were pooled and sequenced using the 454 GS-FLX platform. A total of 36,332 reads were obtained, which assembled into 2,183 contigs and 2,509 singlets. The contigs and the singlets contained 1,842 microsatellite motifs, with dinucleotide motifs as the most abundant repeat type (54\%) followed by trinucleotide motifs (44\%). Based on this, 290 SSR markers were designed, 52 of which were evaluated using a panel of 27 diverse linseed genotypes. Among the three enrichment methods, the 5{\textquoteright}-anchored PCR method was most efficient for isolation of microsatellites, while FIASCO was most efficient for developing SSR markers. We show the utility of next-generation sequencing technology for efficiently discovering a large number of microsatellite markers in non-model plants.

}, keywords = {Flax, Microsatellite isolation, Next-generation sequencing, SSR}, issn = {1380-3743}, doi = {10.1007/s11032-011-9648-9}, author = {Kale, Sandip M. and Pardeshi, Varsha C. and Kadoo, Narendra Y. and Ghorpade, Prakash B. and Jana, Murari M. and Gupta, Vidya S.} } @article { ISI:000304621400045, title = {Dimensionality reduction in computational demarcation of protein tertiary structures}, journal = {Journal of Molecular Modeling}, volume = {18}, number = {6}, year = {2012}, month = {JUN}, pages = {2741-2754}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Predictive classification of major structural families and fold types of proteins is investigated deploying logistic regression. Only five to seven dimensional quantitative feature vector representations of tertiary structures are found adequate. Results for benchmark sample of non-homologous proteins from SCOP database are presented. Importance of this work as compared to homology modeling and best-known quantitative approaches is highlighted.

}, keywords = {Logistic regression, Principal component analysis, Protein structural classes, Quantitative features of tertiary folds, SCOP database}, issn = {1610-2940}, doi = {10.1007/s00894-011-1223-0}, author = {Joshi, Rajani R. and Panigrahi, Priyabrata R. and Patil, Reshma N.} } @article { ISI:000306674200026, title = {Disordered brownmillerite Ba2InCeO5+delta with enhanced oxygen reduction activity}, journal = {Chemistry of Materials}, volume = {24}, number = {14}, year = {2012}, month = {JUL}, pages = {2823-2828}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A disordered brownmillerite, Ba2InCeO5+delta, with slight tetragonal distortion from ideal cubic perovskite is synthesized and its oxygen reduction reactivity tested. The material displayed oxygen reduction behavior in alkaline solution comparable to that of standard 40 wt \% Pt/C catalyst and attractive activity characteristics which renders it a potential system for low temperature fuel cell applications.

}, keywords = {brownmillerite, fuel cell, oxygen reduction reaction, Rietveld refinement}, issn = {0897-4756}, doi = {10.1021/cm301863x}, author = {Jijil, Chamundi P. and Unni, SreeKuttan M. and Sreekumar, Kurungot and Devi, R. Nandini} } @article { ISI:000302017500007, title = {Dynamic proteome in enigmatic preeclampsia: an account of molecular mechanisms and biomarker discovery}, journal = {Proteomics Clinical Applications}, volume = {6}, number = {1-2}, year = {2012}, month = {JAN}, pages = {79-90}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {

The coevolution of genomics and proteomics has led to advancements in the field of diagnosis and molecular mechanisms of disease. Proteomics is now stepping into the field of obstetrics, where early diagnosis of pregnancy complication such as preeclampsia (PE) is imperative. PE is a multifactorial disease characterized by hypertension with proteinuria, which is a leading cause of maternal and neonatal morbidity and mortality occurring in 5-7\% of pregnancies worldwide. This review discusses the probable molecular mechanisms that lead to PE and summarizes the proteomics research carried out in understanding the pathogenicity of PE, and for identifying the candidate biomarker for diagnosis of the disease.

}, keywords = {Hypertension, Oxidative stress, Pregnancy complication, Proteinuria}, issn = {1862-8346}, doi = {10.1002/prca.201100089}, author = {Mary, Sheon and Patil, Gouri V. and Kulkarni, Asmita V. and Kulkarni, Mahesh J. and Joshi, Sadhana R. and Mehendale, Savita S. and Giri, Ashok P.} } @article { ISI: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:000306768600002, title = {Electrospinning of PHBV/ZnO membranes: structure and properties}, journal = {Fibers and Polymers}, volume = {13}, number = {6}, year = {2012}, month = {JUL}, pages = {692-697}, publisher = {KOREAN FIBER SOC}, address = {KOREA SCIENCE TECHNOLOGY CTR \#501 635-4 YEOGSAM-DONG, KANGNAM-GU, SEOUL 135-703, SOUTH KOREA}, abstract = {

Polyhydroxy butyrate-co-valerate (PHBV) - Zinc oxide (ZnO) nano composite fibers were prepared using electrospinning. The structural and optical properties were studied using Fourier transform infrared spectroscopy (FT-ER), X-ray diffraction (XRD) and photoluminescence study (PL). The morphology observed with scanning electron microscope (SEM) revealed no significant changes in the nano composite fibers as compared to bare polymer. The low concentration of ZnO nanoparticles resulted in an increase in overall crystallinity of the polymer matrix which was confirmed from FT-IR and XRD results. The photoluminescence (PL) study indicated the quenching of visible emission in the composite fibers. The ratio of UV to visible emission (I-uv/I-vis) intensity was found to be 12.8 times enhanced in the composite fibers compared to bare ZnO nanoparticles. The nanofibrous mats are self supported and hence offer potential applications in optoelectronic devices and the biomedical imaging.

}, keywords = {Biomarkers, Biopolymers, electrospinning, ZnO nanoparticles}, issn = {1229-9197}, doi = {10.1007/s12221-012-0692-9}, author = {Naphade, Rounak and Jog, Jyoti Prakash} } @article { ISI:000304106900015, title = {Electrostatic grafting of a triphenylphosphine sulfonate on SBA-15: application in palladium catalyzed hydrogenation}, journal = {Catalysis Science \& Technology}, volume = {2}, number = {6}, year = {2012}, month = {FEB}, pages = {1188-1195}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

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

}, issn = {2044-4753}, doi = {10.1039/c2cy00535b}, author = {Wang, Lei and Dehe, Daniel and Philippi, Thomas and Seifert, Andreas and Ernst, Stefan and Zhou, Zhou and Hartmann, Martin and Taylor, Robin N. Klupp and Singh, Anand Pal and Jia, Mingjun and Thiel, Werner R.} } @article { ISI:000307039700023, title = {Enhanced magnetic parameters in the morphotropic phase boundary region of nanocrystalline multiferroic Bi1-xLaxFeO3}, journal = {Solid State Communications}, volume = {152}, number = {16}, year = {2012}, month = {AUG}, pages = {1609-1612}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {Bismuth ferrite, magnetic properties, Multiferroics, Nanocrystalline materials}, issn = {0038-1098}, doi = {10.1016/j.ssc.2012.05.011}, author = {Thakuria, P. and Joy, Pattayil Alias} } @article { ISI:000299292600009, title = {Enhanced piezoresponse of electrospun PVDF mats with a touch of nickel chloride hexahydrate salt}, journal = {Nanoscale}, volume = {4}, number = {3}, year = {2012}, month = {FEB}, pages = {752-756}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

PVDF nanofibers are prepared using electrospinning. The effect of addition of a hydrated salt, nickel chloride hexahydrate (NiCl2 center dot 6H(2)O), on the phase formation is examined. Addition of the hydrated salt (NC) is found to enhance the polar beta phase by about 30\%. The peak to peak piezo-voltage generated for PVDF NC is almost 0.762 V, a factor of 3 higher than that for PVDF. The fiber mats exhibit a significantly enhanced dynamic strain sensor response. The voltage generated per unit micro-strain developed during the free vibration test for PVDF was 0.119 mV whereas it was 0.548 mV for PVDF NC, exhibiting a non-linearly enhanced performance vis a vis the increase in the beta phase component.

}, issn = {2040-3364}, doi = {10.1039/c2nr11841f}, author = {Dhakras, Dipti and Borkar, Vivek and Ogale, Satishchandra and Jog, Jyoti Prakash} } @article { ISI:000313149800004, title = {Enhancement in the magnetostriction of sintered cobalt ferrite by making self-composites from nanocrystalline and bulk powders}, journal = {ACS Applied Materials \& Interfaces}, volume = {4}, number = {12}, year = {2012}, month = {DEC}, pages = {6421-6425}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Sintered polycrystalline cobalt ferrite is a potential magnetostrictive smart material for applications as sensors and actuators. A novel concept of enhancing the magnetostrictive strain of sintered cobalt ferrite by making self-composites from nanosized and bulk powders with different particle sizes of the same material as components is reported. The self-composites give higher magnetostriction coefficient and strain derivative when compared to the sintered products obtained from the individual powders. The individual components give a maximum magnetostriction up to similar to 310 ppm, whereas up to similar to 370 ppm is obtained for a two-component system consisting of powders of two different sizes. On the other hand, a three-component self-composite made from starting powders of 3 nm, 40 nm and \>1 mu m give very high magnetostriction of similar to 400 ppm at 800 kA/m, suitable for making devices.

}, keywords = {Cobalt ferrite, Magnetostriction, Nanocrystalline, self-composite, Sintering}, issn = {1944-8244}, doi = {10.1021/am302053q}, author = {Mohaideen, Kamal Khaja and Joy, Pattayil Alias} } @article { ISI:000297609900010, title = {Enzyme immobilization on epoxy supports in reverse micellar media: prevention of enzyme denaturation}, journal = {Journal of Molecular Catalysis B-Enzymatic}, volume = {74}, number = {1-2}, year = {2012}, month = {JAN}, pages = {54-62}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {allyl glycidyl ether, alpha-Chymotrypsin, ethylene glycol dimethacrylate, Glucose dehydrogenase, Reverse micelles, Yeast alcohol dehydrogenase}, issn = {1381-1177}, doi = {10.1016/j.molcatb.2011.08.014}, author = {Thudi, Lahari and Jasti, Lakshmi Swarnalatha and Swarnalatha, Yalangi and Fadnavis, Nitin W. and Mulani, Khudbudin Baban and Deokar, Sarika Babasaheb and Ponrathnam, Surendra} } @article {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:000306111900003, title = {Extended coupled cluster for Raman and infrared spectra of small molecules}, journal = {Chemical Physics}, volume = {403}, year = {2012}, month = {JUL}, pages = {25-32}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

In this paper we study the harmonic vibrational frequencies, infrared (IR) intensities, Raman intensities and depolarization ratio using extended coupled cluster method. Raman and IR intensities are mixed derivatives of energy with respect to the electric field and geometric perturbation whereas vibrational frequencies are derivatives of energy with respect to geometry. We use semi-numerical approach to obtain these derivatives. We have studied the effect of electron correlation and basis set for the above properties. We compare our results with non-variational coupled cluster and experimental values, wherever available. We have studied HF, BH, CH+, CO and H2CO molecules in different basis sets. For HF molecule, benchmarking is done with full CI values and basis set convergence is studied for this molecule. Effect of triples is studied for all the molecules. (C) 2012 Elsevier B.V. All rights reserved.

}, keywords = {Extended coupled cluster, IR and Raman spectroscopy, Mixed derivatives}, issn = {0301-0104}, doi = {10.1016/j.chemphys.2012.04.017}, author = {Joshi, Sayali P. and Dutta, Achintya Kumar and Pal, Sourav and Vaval, Nayana} } @article { ISI:000306946500013, title = {Facile synthesis of oxyavicine}, journal = {RSC Advances}, volume = {2}, number = {18}, year = {2012}, month = {JUL}, pages = {7087-7090}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Starting from dimethyl 3,4-methylenedioxyhomophthalate, a concise total synthesis of oxyavicine has been described via the base catalyzed monoalkylation, homophthalimide formation, oxidative selective iodination, regioselective reductive dehydration and an intramolecular Heck coupling reaction followed by the oxidation pathway with 16\% overall yield in six steps.

}, issn = {2046-2069}, doi = {10.1039/c2ra20915b}, author = {Jangir, Ravi and N. P. Argade} } @article { ISI:000312111500001, title = {Fluorescent superparamagnetic iron oxide core-shell nanoprobes for multimodal cellular imaging}, journal = {Materials Express}, volume = {2}, number = {4}, year = {2012}, month = {DEC}, pages = {265-274}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USA}, abstract = {

Multimodal imaging agents that combine magnetic and fluorescent imaging capabilities are desirable for the high spatial and temporal resolution. In the present work, we report the synthesis of multifunctional fluorescent ferrofluids using iron oxide as the magnetic core and rhodamine B as fluorochrome shell. The core-shell structure was designed in such a way that fluorescence quenching due to the inner magnetic core was minimized by an intermediate layer of silica. The intermediate passive layer of silica was realized by a novel method which involves the esterification reaction between the epoxy group of prehydrolysed 3-Glyidoxypropyltrimethoxysilane and the surfactant over iron oxide. The as-synthesized ferrofluids have a high saturation magnetization in the range of 62-65 emu/g and were found to emit light of wavelength 640 nm (lambda(excitation) = 446 nm). Time resolved life time decay analysis showed a bi-exponential decay pattern with an increase in the decay life time in the presence of intermediate silica layer. Cytotoxicity studies confirmed the cell viability of these materials. The in vitro MRI imaging illustrated a high contrast when these multimodal nano probes were employed and the R2 relaxivity of these sample was found to be 334 mM(-1)s(-1) which reveals its high potential as a T2 contrast enhancing agent.

}, keywords = {GPTMS, MRI Imaging, Multimodal Imaging, SPION, T2 Contrast Agent}, issn = {2158-5849}, doi = {10.1166/mex.2012.1083}, author = {Smitha, Sasidharan and Haseena, Vadakkenchery S. and Narayanan, Tharangattu N. and Mary, Antony P. Reena and Ajayan, Pulickel M. and Puthumana, Jayesh and Aziz, Anas A. and Aburto, Rebeca R. and Mani, Sendurai A. and Joy, Pattayil Alias and Anantharaman, Maliemadom R.} } @article { ISI:000298731200036, title = {Fluorinated metal-organic frameworks: advantageous for higher H-2 and CO2 adsorption or not?}, journal = {Chemistry-A European Journal}, volume = {18}, number = {2}, year = {2012}, month = {JAN}, pages = {688-694}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

The synthesis, structure, and gas adsorption properties of three new metalorganic frameworks (MOFs) designed from isonicotinic acid (INA) and its fluorinated analogue 3-fluoroisonicotinic acid (FINA) along with CoII as the metal center have been reported. Co-INA-1 ([Co3(INA)4(O)(C2H5OH)3][NO3].C2H5OH.3?H2O; INA=isonicotinic acid) and Co-INA-2 ([Co(INA)2].DMF) are structural isomers as are Co-FINA-1 ([Co3(FINA)4(O)(C2H5OH)2].H2O; FINA=3-fluoroisonicotinic acid) and Co-FINA-2 ([Co(FINA)2].H2O), but the most important thing to note here is that Co-INA-1 and Co-FINA-1 are isostructural as are Co-INA-2 and Co-FINA-2. The effect of partial introduction of fluorine atoms into the framework on the gas uptake properties of MOFs having similar structures has been analyzed experimentally and computationally in isostructural MOFs.

}, keywords = {cobalt, fluorine, Hydrogen storage, metal-organic frameworks, microporous materials, X-ray diffraction}, issn = {0947-6539}, doi = {10.1002/chem.201102295}, author = {Pachfule, Pradip and Chen, Yifei and Jiang, Jianwen and Banerjee, Rahul} } @article { ISI:000305831300031, title = {From small aromatic molecules to functional nanostructured carbon by pulsed laser-induced photochemical stitching}, journal = {AIP Advances}, volume = {2}, number = {2}, year = {2012}, month = {JUN}, pages = {Article No. 022130}, publisher = {AMER INST PHYSICS}, type = {Article}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {

A novel route employing UV laser pulses (KrF Excimer, 248 nm) to cleave small aromatic molecules and stitch the generated free radicals into functional nanostructured forms of carbon is introduced. The process differs distinctly from any strategies wherein the aromatic rings are broken in the primary process. It is demonstrated that this pulsed laser-induced photochemical stitching (PLPS) process when applied to routine laboratory solvents (or toxic chemical wastes when discarded) Chlorobenzene and o-Dichlorobenzene yields Carbon Nanospheres (CNSs) comprising of graphene-like sheets assembled in onion-like configurations. This room temperature process implemented under normal laboratory conditions is versatile and clearly applicable to the whole family of haloaromatic compounds without and with additions of precursors or other nanomaterials. We further bring out its applicability for synthesis of metal-oxide based carbon nanocomposites. Copyright 2012 Author(s). This article is distributed under a Creative Commons Attribution 3.0 Unported License. [http://dx.doi.org/10.1063/1.4721268]

}, issn = {2158-3226}, doi = {10.1063/1.4721268}, author = {Gokhale, R. R. and Thakare, V. P. and Warule, S. and Lefez, Benoit and Hannoyer, Beatrice and Jog, Jyoti Prakash and Ogale, S. B.} } @article { ISI:000310589300036, title = {Genome sequence of nitratireductor aquibiodomus strain RA22}, journal = {Journal of Bacteriology}, volume = {194}, number = {22}, year = {2012}, month = {NOV}, pages = {6307}, publisher = {AMER SOC MICROBIOLOGY}, address = {1752 N ST NW, WASHINGTON, DC 20036-2904 USA}, abstract = {

The genus Nitratireductor represents nitrate-reducing bacteria from the family Phyllobacteriaceae. Here we report the draft genome sequence of Nitratireductor aquibiodomus strain RA22, which contains 4,592,790 bp, with a G+C content of 61.30\%, and has 4,241 protein coding genes.

}, issn = {0021-9193}, doi = {10.1128/JB.01510-12}, author = {Singh, Ajit and Jangir, Pramod Kumar and Kumari, Chanchal and Sharma, Rakesh} } @article { ISI:000309490600021, title = {Genome sequence of the alkaliphilic bacterium nitritalea halalkaliphila type strain LW7, isolated from Lonar Lake, India}, journal = {Journal of Bacteriology}, volume = {194}, number = {20}, year = {2012}, month = {OCT}, pages = {5688-5689}, publisher = {AMER SOC MICROBIOLOGY}, address = {1752 N ST NW, WASHINGTON, DC 20036-2904 USA}, abstract = {

An alkaliphilic bacterium, Nitritalea halalkaliphila LW7, which belongs to the family Cyclobacteriacae in the phylum Bacteroidetes, was isolated from Lonar Lake in Maharastra, India. Here we announce the draft genome sequence of the type strain LW7, which contains 3,633,701 bp with a G+C content of 48.58\%.

}, issn = {0021-9193}, doi = {10.1128/JB.01302-12}, author = {Jangir, Pramod Kumar and Singh, Ajit and Shivaji, S. and Sharma, Rakesh} } @article { ISI:000303178600058, title = {Green synthesis of TiO2 nanoparticles by using aqueous extract of Jatropha curcas L. latex}, journal = {Materials Letters}, volume = {75}, year = {2012}, month = {MAY}, pages = {196-199}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Present study deals with a green synthesis of TiO2 nanoparticles by using 0.3\% aqueous extract prepared from latex of Jatropha curcas L. TiO2 nanoparticles were characterized by X-ray diffraction (XRD), Selected Area Electron Diffraction (SAED), Transmission Electron Microscopy (TEM), Energy Dispersive Analysis of X-rays (EDAX) and Fourier Transform Infrared Spectroscopy (FTIR). Fourier Transform Infrared Spectroscopy (FTIR) were performed to find the role of curcain (enzyme), cyclic peptides namely curcacycline A (an octapeptide) and curcacycline B (a nonapeptide) as a possible reducing and capping agents, present in the latex of J. curcas L. The average size of TiO2 nanoparticles was found to be in the range of 25 to 100 nm. Our result shows that there are two broad categories of nanoparticles, first having diameter from 25 to 50 nm which are mostly spherical in shape and second having some larger and uneven shapes. (C) 2012 Elsevier B.V. All rights reserved.

}, keywords = {Biomaterials, Electron microscopy, Fourier Transform Infrared Spectroscopy (FTIR), Nanostructures}, issn = {0167-577X}, doi = {10.1016/j.matlet.2012.02.018}, author = {Hudlikar, Manish and Joglekar, Shriram and Dhaygude, Mayur and Kodam, Kisan M.} } @article { ISI:000308263100040, title = {High magnetostriction and coupling coefficient for sintered cobalt ferrite derived from superparamagnetic nanoparticles}, journal = {Applied Physics Letters}, volume = {101}, number = {7}, year = {2012}, month = {AUG}, pages = {072405}, publisher = {AMER INST PHYSICS}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {

High magnetostriction (lambda) and coupling coefficient (d lambda/dH) of 315 ppm and 1.97 x 10(-9) A(-1) m, respectively, are obtained at room temperature for sintered cobalt ferrite derived from nanocrystalline powders. Also, the powder was compacted at a low pressure of 8 MPa and sintered for a short duration of 10 min at 1450 degrees C. Magnetic annealing at 300 degrees C in a field of 0.5 T for 30 min further enhanced the magnetostriction coefficient to 345 ppm with a higher coupling coefficient 2.12 x 10(-9) A(-1)m. The magnetic field above which maximum magnetostriction is observed is reduced by almost half after magnetic annealing. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4745922]

}, issn = {0003-6951}, doi = {10.1063/1.4745922}, author = {Mohaideen, Kamal Khaja and Joy, Pattayil Alias} } @article { ISI:000312434600010, title = {Hydrodynamics of liquid-liquid dispersion in an advanced-flow reactor}, journal = {Industrial \& Engineering Chemistry Research}, volume = {51}, number = {50}, year = {2012}, month = {DEC}, pages = {16251-16262}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Hydrodynamics and mass transfer of immiscible liquid-liquid flows are explored in an Advanced-Flow Reactor (AFR). These systems are emerging as one of the major commercial systems for small scale continuous flow chemistry, and characterization of the transport phenomena is critical for reaction implementation. With hexane/water as a model system, we use flow visualization techniques to determine drop size distribution, hexane holdup, and specific interfacial areas for a phase flow rate range of 10-80 mL/min. The complex geometry of the AFR with its continuously changing cross section along the flow path and strategically placed obstacles creates pressure changes that cause drop breakup and enhance mass transfer. Observations show that a wide range of average drop size (0.33-1.3 mm) can be achieved in the AFR depending upon the inlet flow rates and inlet composition. Pressure drop measurements are performed to estimate the power consumption and are used to compare the efficiency of AFR with conventional liquid-liquid contactors. The analysis shows that, similar to microreactors, the AFR can provide specific interfacial areas (1000-10 000 m(-1)) and overall mass transfer coefficients (1.9-41 s(-1)) a few orders of magnitude larger than conventional stirred tank reactors and also the static mixers.

}, issn = {0888-5885}, doi = {10.1021/ie301821k}, author = {Nieves-Remacha, Maria Jose and Kulkarni, Amol A. and Jensen, Klavs F.} } @article { ISI:000302893400028, title = {In situ encapsulation of ultra small ceria nanoparticles stable at high temperatures in the channels of mesoporous silica}, journal = {Microporous and Mesoporous Materials}, volume = {155}, year = {2012}, month = {JUN}, pages = {215-219}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Ultra small ceria nanoparticles of sizes \<2 nm stable at 500 degrees C are encapsulated in the channels of mesoporous silica by employing a novel method of synthesis. The method involves modifying non-ionic polymer templates with ionic surfactants to enhance anchoring of metal ion precursors. In this way, further silica wall formation around the template ensures isolation of the nanoparticles exclusively within the channels after template removal by heat treatment. Further understanding of the interaction of the composite template system and cerium precursor is gained by cyclic voltammetric studies. (C) 2012 Elsevier Inc. All rights reserved.

}, keywords = {ceria, Encapsulation, Mesoporous silica, Template synthesis}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2012.02.006}, author = {Ghosh, Sumona and Jijil, Chamundi P. and Devi, R. Nandini} } @article { ISI:000306193700016, title = {Kinetics of the Heck reaction in biphasic organic-ethylene glycol medium}, journal = {Reaction Kinetics Mechanisms and Catalysis}, volume = {106}, number = {2}, year = {2012}, month = {AUG}, pages = {457-473}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

PdCl2(bipy) was found to be an efficient and stable catalyst in biphasic medium (organic-glycol) for the Heck reaction. The kinetics of the Heck coupling of styrene with iodobenzene using the same catalyst was studied in a biphasic medium in a temperature range of 393-413 K. The rate was found to have a first order dependence tending to a fractional order, on the iodobenzene as well as catalyst concentration. The rate was found to have a complex dependence on the styrene concentration and passes through a maximum, showing typical substrate inhibition kinetics. The rate had a first order dependence on the base (morpholine) concentration. The trends observed for the influence of the different parameters on the activity of the catalyst are in agreement with the established mechanism for Heck reaction. An empirical rate model has been proposed to fit the observed rate data. The activation energy was found to be 72.91 kJ/mol. This is the first time that kinetic modeling of Heck reaction in a biphasic medium (organic-glycol) has been attempted.

}, keywords = {Biphasic catalysis, Heck reaction, kinetics, PdCl2(bipy) complex}, issn = {1878-5190}, doi = {10.1007/s11144-012-0437-1}, author = {Jagtap, Sangeeta Vijay and Deshpande, Raj Madhukar} } @article { ISI:000307479100016, title = {Lamellar melting, not crystal motion, results in softening of polyoxymethylene on heating}, journal = {Macromolecules}, volume = {45}, number = {15}, year = {2012}, month = {AUG}, pages = {5967-5978}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

We probe temperature-dependent changes in the semicrystalline microstructure of polyoxymethylene using a combination of modulated DSC, SAXS, and solid-state NMR to characterize macroscopic behavior, lamellar-level structure, and molecular environments, respectively, and correlate these with the change in mechanical properties probed using DMA and AFM. Two model samples are investigated: a melt crystallized sample prepared by injection molding and a sample obtained by crystallization from dilute solution. Our investigations reveal that, for both samples, there is an increase in crystalline motions and in the amorphous content on heating. DMA and AFM measurements reveal that the modulus of the molded sample decreases on heating to about 100 degrees C; however, there is a significant difference in behavior of the solution crystals, where we observe no significant decrease in stiffness (from AFM measurements). Thus, in contrast to previous reports, we demonstrate that the decrease in modulus on heating polyoxymethylene does not correlate with chain motions in the crystalline regions. We use SAXS to probe the semicrystalline morphology for the samples on heating and show that, for the molded sample, there is a distribution of lamellar thickness at room temperature and that the thin lamellae in this distribution melt on heating. In contrast to the behavior of the melt crystallized samples, the solution crystals exhibit no change in the lamellar stacking on heating to 150 degrees C. We also demonstrate that, on heating, the amorphous regions in the solution crystals always appear to have restricted mobility while there are mobile and low mobility amorphous regions in the molded samples. Our results suggest that, contrary to conventional belief, the decrease in modulus on heating polyoxymethylene arises not from motions in the crystalline lamellae but primarily from melting of thin lamellae.

}, issn = {0024-9297}, doi = {10.1021/ma3004423}, author = {Kumaraswamy, Guruswamy and Surve, Nikita S. and Mathew, Renny and Rana, Abhimanyu and Jha, Saroj K. and Bulakh, Neelima N. and Nisal, Anuya and Ajithkumar, Thalasseril G. and Rajamohanan, P. R. and Ratnagiri, Ram} } @article { ISI:000310940500009, title = {Laser synthesized super-hydrophobic conducting carbon with broccoli-type morphology as a counter-electrode for dye sensitized solar cells}, journal = {Nanoscale}, volume = {4}, number = {21}, year = {2012}, month = {NOV}, pages = {6730-6734}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A laser photochemical process is introduced to realize superhydrophobic conducting carbon coatings with broccoli-type hierarchical morphology for use as a metal-free counter electrode in a dye sensitized solar cell. The process involves pulsed excimer laser irradiation of a thin layer of liquid haloaromatic organic solvent o-dichlorobenzene (DCB). The coating reflects a carbon nanoparticle-self assembled and process-controlled morphology that yields solar to electric power conversion efficiency of 5.1\% as opposed to 6.2\% obtained with the conventional Pt-based electrode.

}, issn = {2040-3364}, doi = {10.1039/c2nr32082g}, author = {Gokhale, Rohan and Agarkar, Shruti A. and Debgupta, Joyashish and Shinde, Deodatta and Lefez, Benoit and Banerjee, Abhik and Jog, Jyoti Prakash and More, Mahendra A. and Hannoyer, Beatrice and Ogale, Satishchandra B.} } @article { ISI:000304155900025, title = {Latex-mediated synthesis of ZnS nanoparticles: green synthesis approach}, journal = {Journal of Nanoparticle Research}, volume = {14}, number = {5}, year = {2012}, month = {MAY}, pages = {865}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

A low-cost, green synthesis of ZnS nanoparticles is reported using 0.3 \% latex solution prepared from Jatropha curcas L. ZnS nanoparticles were characterized by X-ray diffraction, selected area electron diffraction, transmission electron microscopy, energy dispersive analysis of X-rays, UV-vis optical absorption and photoluminescence techniques. Fourier Transform Infrared Spectroscopy was performed to find the role of cyclic peptides namely curcacycline A (an octapeptide), curcacycline B (a nonapeptide) and curcain (an enzyme) as a possible reducing and stabilizing agents present in the latex of J. curcas L. The average size of ZnS nanoparticles was found to be 10 nm. Latex of J. curcas L. itself acts as a source of sulphide (S-2) ions that are donated to Zn ions under present experimental conditions. Source of sulphide (S-2) ions is still unclear, but we speculate that cysteine or thiol residues present in enzyme curcain may be donating these sulphide (S-2) ions.

}, keywords = {green synthesis, Latex, ZnS nanoparticles}, issn = {1388-0764}, doi = {10.1007/s11051-012-0865-x}, author = {Hudlikar, Manish and Joglekar, Shriram and Dhaygude, Mayur and Kodam, Kisan M.} } @article { ISI:000302143900017, title = {Magnetic and magnetoelastic properties of Zn-doped cobalt-ferrites-CoFe2-xZnxO4 (x=0, 0.1, 0.2, and 0.3)}, journal = {Journal of Magnetism and Magnetic Materials}, volume = {324}, number = {14}, year = {2012}, month = {JUL}, pages = {2286-2291}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Cobalt-ferrite (CoFe2O4) based materials are suitable candidates for magnetomechanical sensor applications owing to a strong sensitivity of their magnetostriction to an applied magnetic field. Zn-doped cobalt-ferrites, with nominal compositions CoFe2-xZnxO4 (x=0-0.3), were synthesized by auto-combustion technique using Co-, Fe-, and Zn-nitrate as precursors. X-ray spectra analysis and Transmission electron microscopy studies revealed that the as-prepared powders were comprised of nano-crystalline (similar to 25-30 nm) cubic-spinel phase with irregularly-shaped grains morphology along with minor impurity phases. Calcination (800 degrees C for 3 h) of the precursor followed by sintering (1300 degrees C for 12 h) resulted in a single phase cubic-spinel structure with average grain size similar to 2-4 mu m, as revealed from scanning electron micrographs. The magnitude of coercive field decreases from similar to 540 Oe for x=0 to 105 Oe for x=0.30. Saturation magnetization initially increases and peaks to similar to 87 emu/g for x=0.2 and then decreases. The peak value of magnetostriction monotonically decreases with increasing Zn content in the range 0.0-0.3; however the piezomagnetic coefficient (d lambda/dH) reaches a maximum value of 105 x 10(-9) Oe-1 for x=0.1. The observed variation in piezomagnetic coefficient in the Zn substituted cobalt ferrite is related to the reduced anisotropy of the system. The Zn-doped cobalt-ferrite (x=0.1) having high strain derivative could be a potential material for stress sensor application. (C) 2012 Elsevier B.V. All rights reserved.

}, keywords = {Cobalt-ferrite, Magnetic-properties, Magnetostriction}, issn = {0304-8853}, doi = {10.1016/j.jmmm.2012.02.116}, author = {Somaiah, Nalla and Jayaraman, Tanjore V. and Joy, Pattayil Alias and Das, Dibakar} } @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:000308099900044, title = {MOF derived porous carbon-Fe3O4 nanocomposite as a high performance, recyclable environmental superadsorbent}, journal = {Journal of Materials Chemistry}, volume = {22}, number = {37}, year = {2012}, month = {JUN}, pages = {19694-19699}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A high surface area carbon composite with Fe3O4 nanoparticles is synthesized by pyrolysis of an iron containing Metal Organic Framework (MOF). The composite can be prepared by annealing the MOF at different temperatures (500 degrees C and 600 degrees C), each case exhibiting unique properties in terms of the hydrophobic behaviour and surface area, resulting in specific applicability domains. We highlight the exceptional behaviour of this material as a magnetically separable and recyclable superadsorbent for removal and recovery of environmental pollutants (oil/hydrocarbon and dye/phenol).

}, issn = {0959-9428}, doi = {10.1039/c2jm33798c}, author = {Banerjee, Abhik and Gokhale, Rohan and Bhatnagar, Sumit and Jog, Jyoti Prakash and Bhardwaj, Monika and Lefez, Benoit and Hannoyer, Beatrice and Ogale, Satishchandra B.} } @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.} } @article { ISI:000304686200040, title = {Novel route for rapid biosynthesis of copper nanoparticles using aqueous extract of Calotropis procera L. latex and their cytotoxicity on tumor cells}, journal = {Colloids and Surfaces B-Biointerfaces}, volume = {95}, year = {2012}, month = {JUN}, pages = {284-288}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

This paper accounts for novel, low-cost, eco-friendly route for rapid biosynthesis of copper nanoparticles. Cysteine proteases present in the latex of Calotropis procera L. were used to fabricate copper nanoparticles from copper acetate. Copper nanoparticles were initially characterized by transmission electron microscopy (TEM) and X-ray diffraction technique (XRD). Transmission electron microscopy (TEM) was used to estimate the size and shape of nanoparticles. The average size of copper nanoparticles was found to be 15 +/- 1.7 nm. Energy dispersive analysis of X-rays (EDAX) showed distinct peaks of copper. Fourier transform infrared spectroscopy (FTIR) was performed to confirm capping behavior of the latex proteins that contributed to long term stability of copper nanoparticles (6 months) in aqueous medium. Copper nanoparticles synthesized by above method were monodisperse type. Cytotoxicity studies of latex stabilized copper nanoparticles were carried out on HeLa, A549 and BHK21 cell lines by MTT dye conversion assay. HeLa, A549 and BHK21 cells showed excellent viability even at 120 mu M concentration of copper nanoparticles. This shows that copper nanoparticles synthesized by above method hold excellent biocompatibility. (C) 2012 Elsevier B.V. All rights reserved.

}, keywords = {Biocompatible, Copper nanoparticles, FTIR, Latex, Tumor cells, X-ray diffraction technique (XRD)}, issn = {0927-7765}, doi = {10.1016/j.colsurfb.2012.03.005}, author = {Harne, Shrikant and Sharma, Ashwinikumar and Dhaygude, Mayur and Joglekar, Shriram and Kodam, Kisan M. and Hudlikar, Manish} } @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:000311783800011, title = {Phyllocladane diterpenes from anisomeles heyneana}, journal = {Journal of Asian Natural Products Research}, volume = {14}, number = {12}, year = {2012}, month = {NOV}, pages = {1162-1168}, publisher = {TAYLOR \& FRANCIS LTD}, type = {Article}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {

New phyllocladane diterpene, phyllocladan-16 alpha,17-dihydroxy-19-oic acid (1), together with known phyllocladane diterpene, phyllocladan-16 alpha,19-diol (2), cembrane diterpene ovatodiolide (3), sitosteryl-3-O-beta-D-glucoside (4), and verbascoside (5), were isolated from aerial parts of Anisomeles heyneana. The structure of compound 1 was elucidated by 1D and 2D NMR analyses which included HSQC, HMBC, and nuclear overhauser effect spectroscopy (NOESY) experiments as well as X-ray crystallography. This is the first report of phyllocladane diterpenes from genus Anisomeles. Compounds 1, 3, 4, and 5 were evaluated for inhibition of Mycobacterium tuberculosis and 3 was found to exhibit anti-mycobacterial activity with IC90 6.53 mu g/ml. Compounds 1, 3, and 5, at 100 mu g/ml, were also evaluated for inhibition of Thp-1 cell lines, and compounds 1 and 3 showed 59.02\% and 96.4\% inhibitions, respectively.

}, keywords = {Anisomeles heyneana, Lamiaceae, Mycobacterium tuberculosis, phyllocladane diterpenes}, issn = {1028-6020}, doi = {10.1080/10286020.2012.738672}, author = {Kulkarni, Roshan R. and Shurpali, Ketaki and Gawade, Rupesh L. and Sarkar, Dhiman and Puranik, Vedavati G. and Joshi, Swati P.} } @article { ISI: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:000300467100007, title = {Preparation of pure methyl esters from corresponding alkali metal salts of carboxylic acids using carbon dioxide and methanol}, journal = {Industrial \& Engineering Chemistry Research}, volume = {51}, number = {4}, year = {2012}, month = {FEB}, pages = {1498-1505}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

In the present article, for the first time, we report the synthesis of alkyl esters by direct esterification of alkali metal salts of carboxylic acids using carbon dioxide and alcohol. Methyl acetate, methyl benzoate, methyl salicylate, and methyl lactate have been synthesized by esterification of sodium acetate, sodium benzoate, sodium salicylate, and calcium lactate, respectively. The esterification reaction was carried out in a batch as well as in a semicontinuous mode of operation. A detailed study on the esterification of calcium lactate using methanol and carbon dioxide was carried out to record the effects of various operating parameters (like CO2 pressure, reaction temperature, moisture content in the calcium lactate, and initial concentrations of calcium lactate) on the esterification reaction. This synthesis route produces highly pure methyl lactate by direct esterification of calcium lactate with calcium carbonate as byproduct. The byproduct calcium carbonate was characterized for its crystallinity, surface area, and pore volume. The process route has the advantage that the synthesized byproduct can be recycled into the fermenter to make corresponding alkali metal lactate or the finely precipitated calcium carbonate can be used for various other applications. Thus, the recovery and recycle of alkali metal is possible providing a pollution free process for synthesis of pure methyl lactate.

}, issn = {0888-5885}, doi = {10.1021/ie200632v}, author = {Barve, Prashant P. and Kamble, Sanjay P. and Joshi, Jyeshtharaj B. and Gupte, Milind Y. and Kulkarni, Bhaskar D.} } @article { ISI: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: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 {42551, title = {Size-controlled flow synthesis of gold nanoparticles using a segmented flow microfluidic platform}, journal = {Langmuir}, volume = {28}, year = {2012}, month = {MAY}, pages = {7007-7013}, abstract = {

Segmented flow is often used in the synthesis of nanomaterials to achieve narrow particle size distribution. The narrowness of the distribution is commonly attributed to the reduced dispersion associated with segmented flows. On the basis of the analysis of flow fields and the resulting particle size distribution, we demonstrate that it is the slip velocity between the two fluids and internal mixing in the continuous-phase slugs that govern the nature of the particle size distribution. The reduction in the axial dispersion has less impact on particle growth and hence on the particle size distribution. Synthesis of gold nanoparticles from HAuCl4 with rapid reduction by NaBH4 serves as a model system. Rapid reduction yields gold nuclei, which grow by agglomeration, and it is controlled by the interaction of the nuclei with local flow. Thus, the difference in the physical properties of the two phases and the inlet flow rates ultimately control the particle growth. Hence, a careful choice of continuous and dispersed phases is necessary to control the nanoparticle size and size distribution.

}, doi = {10.1021/la205131e}, author = {Cabeza, Victor Sebastian and Kuhn, Simon and Kulkarni, Amol A. and Jensen, Klavs F.} } @article {42726, title = {Smart wireless temperature monitor \& control system}, journal = {UACEE International Journal of Computer Science and its Application}, volume = {2}, year = {2012}, month = {DEC}, pages = {56-60}, doi = {10.3850/ 978-981-07-2950-9_687}, author = {Patil, Rohit and Joshi, Dnyanesh and More, Rahul and Iyer, Neelima} } @article { ISI: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:000306215900061, title = {Structure engineering of naphthalene diimides for improved charge carrier mobility: self-assembly by hydrogen bonding, good or bad?}, journal = {Journal of Materials Chemistry}, volume = {22}, number = {30}, year = {2012}, month = {MAY}, pages = {15235-15246}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Two families of naphthalene diimide (NDI) derivatives were compared and contrasted for the effect of self-assembly on charge carrier transport. One series of NDI derivatives had a terminal phenyl ring attached to a hexyl spacer substituted naphthalene core either through an ester or an amide linkage (NDI-E and NDI-A, respectively), while the other series had a 3,4,5-tridodecyloxy phenyl unit (NDI-E3, NDI-A3) instead of the terminal phenyl unit. Solution processed thin films of these molecules exhibited n-type charge transport characteristics in a bottom gate top contact organic field effect transistor (OFET) geometry. The amide derivatives showed evidence of self-organization with observation of red shifted aggregate emission in solution as well as solid state. Variable temperature FTIR studies in the solid state confirmed the existence of strong hydrogen bonding which could be broken only at very high temperature. However, contrary to expectations, the NDI ester derivatives showed better device efficiency with electron mobilities in the range 8.5 x 10(-3) to 2 x 10(-2) cm(2) V-1 s(-1) and on/off ratio similar to 10(4). The thin film crystallinity and morphology of NDI-E and NDI-A were examined through X-ray diffraction and atomic force microscopy (AFM). The correlation of crystallinity, hydrogen bonding and charge carrier mobility was studied using energy minimized structures from density functional theory (DFT). The higher electron mobility of ester linked NDI derivatives over the amide linked ones was attributed to the freedom in charge transport pathways offered by a three dimensional crystalline organization in the ester compared to the restricted directional hydrogen bonding interaction in the amide derivatives.

}, issn = {0959-9428}, doi = {10.1039/c2jm32554c}, author = {Kolhe, Nagesh B. and Devi, R. Nandini and Senanayak, Satyaprasad P. and Jancy, B. and Narayan, K. S. and Asha, S. K.} } @article { ISI:000307202800028, title = {Supported copper triflate as an efficient catalytic system for the synthesis of highly functionalized 2-naphthol Mannich bases under solvent free condition}, journal = {Tetrahedron Letters}, volume = {53}, number = {33}, year = {2012}, month = {AUG}, pages = {4376-4380}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Various heterogeneous catalysts (Lewis acid) have been prepared and screened for the synthesis of Betti bases in an attempt to reduce the environmental hazards associated with the conventional homogeneous Lewis acid system. And we found especially Cu(OTf)(2)center dot SiO2 catalyzes the three-component coupling of aldehyde, 2-naphthol, and alicyclic amine to generate Betti base with high efficiency under neat conditions without additional co-catalyst or additive in air. The reaction is not sensitive to water and occurs smoothly in water as well. (c) 2012 Elsevier Ltd. All rights reserved.

}, keywords = {Betti bases, single-crystal XRD, Solvent-free, Supported copper triflate, Three-component coupling}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2012.06.022}, author = {Dindulkar, Someshwar D. and Puranik, Vedavati G. and Jeong, Yeon Tae} } @article {43315, title = {Supramolecular interaction facilitated small molecule films for organic field effect transistors}, journal = {Polymer Chemistry}, volume = {3}, year = {2012}, month = {APR}, pages = {1641-1646}, abstract = {Metalloporphyrins and metal free porphyrins have been explored as active materials in field effect transistors. Amorphous forms of these porphyrins are preferred over their crystalline analogue due to the ease of solution processability. To achieve solution processability, a metalloporphyrin was anchored on a vinyl polymer by taking advantage of the supramolecular interaction between the metal and the pyridine moiety of the polymer. Non covalent bonding was preferred because it provides an opportunity to better manipulate the polymer{\textquoteright}s properties compared to its covalent bonding analogue. The binding between the porphyrin and the polymer was optimised in solution and the supramolecular complex was spun on various substrates to form thin films. The porphyrin was found to be uniformly distributed throughout the polymer films contrary to the existing approaches, wherein small molecule phase segregates in the polymer film. Field effect transistors were fabricated using the porphyrin-polymer complex and the device parameters were measured at atmospheric condition. The devices annealed at 80 degrees C showed hole carrier mobility of 2.0 x 10(-4) cm(2) V-1 s(-1) with charge trapping at the dielectric semiconductor interface. Furthermore, the high carrier mobility observed at low temperature annealing makes this supramolecular complex an attractive candidate to explore in flexible substrates.}, doi = {10.1039/c2py20146a}, author = {Arulkashmir, Arulraj and Mahale, Rajashree Y. and Dharmapurikar, Satej S. and Jangid, Manoj K. and Krishnamoorthy, Kothandam} } @article { ISI:000309645000077, title = {Surface characterization of Au-ZnO nanowire films}, journal = {Ceramics International}, volume = {38}, number = {8}, year = {2012}, month = {DEC}, pages = {6665-6670}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Au-ZnO nanowire films have been synthesized by annealing Zn foils coated with a thin layer of gold. An X-ray diffraction study found that the synthesized ZnO consists mainly of a hexagonal wurtzite structure along with a small amount of AuZn3 phase. Scanning electron images showed that the ZnO wires extend to several microns in length. X-ray photoelectron spectroscopy studies confirmed the oxidation states of Au and Zn. An asymmetric O ls peak indicates the presence of oxygen in an oxide layer and O H groups on the films surfaces. Photoluminescence (PL) spectra showed different visible peaks for pre-annealed films, while for annealed films an UV peak appeared. In addition, the PL analysis showed that the overall intensity of photoluminescence decreased significantly after the films were annealed. Raman spectroscopy results also indicated that the crystalline quality of the films improved with annealing. This could be attributed to a decrease in oxygen vacancies and/or absorption of O-H groups on the surface of ZnO film. The highly hydrophilic surface with a water contact angle of similar to 155 degrees was obtained after annealing in air. (c) 2012 Elsevier Ltd and Techna Group S.r.l. All rights reserved.

}, keywords = {Au-ZnO, Highly hydrophilic, Nanowires, XPS}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2012.05.054}, author = {Jamali-Sheini, Farid and Yousefi, Ramin and Patil, K. R.} } @article { ISI:000309024900024, title = {Swift heavy ion induced formation of Al/polymer composite layer for low thermal emissivity in the IR range}, journal = {Nuclear Instruments \& Methods in Physics Research Section B-Beam Interactions with Materials and Atoms}, volume = {287}, year = {2012}, month = {SEP}, pages = {135-140}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Composites of polymers with aluminium were formed by swift high energy ions of 150 MeV, which are used as low thermal emissivity materials for infrared wavelengths between 8-14 mu m. Emissivity and dielectric constants were studied for these structures. A semi-empirical model has been established to obtain the relation between emissivity and dielectric constant. (C) 2012 Elsevier B.V. All rights reserved.

}, keywords = {composites, dielectric constant, Swift heavy ion, Thermal emissivity}, issn = {0168-583X}, doi = {10.1016/j.nimb.2012.06.005}, author = {Babrekar, Harshada A. and Jog, Jyoti Prakash and Mathe, Vikas L. and Avasthi, D. K. and Ojha, S. and Bhoraskar, S. V.} } @article { ISI:000303086200012, title = {Synthesis and antifungal activity of 1,5-disubstituted-1,2,3-triazole containing fluconazole analogues}, journal = {Medchemcomm}, volume = {3}, number = {4}, year = {2012}, month = {APR}, pages = {484-488}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Fluconazole based novel mimics containing 1,5-disubstituted 1,2,3-triazoles were synthesized by using Ru catalysed 1,3 dipolar cycloaddition. All the newly synthesized compounds and pure enantiomers were more potent than fluconazole against Candida albicans. Docking of 9A and 9B showed different conformation in the active site of Cyp51 of Candida albicans. The more active compounds 2 and 2A did not exhibit any toxicity up to 3.12 mu g mL(-1) against mammalian cell line L929.

}, issn = {2040-2503}, doi = {10.1039/c2md00205a}, author = {Pore, Vandana S. and Jagtap, Manisha A. and Agalave, Sandip G. and Pandey, Atindra K. and Siddiqi, Mohammad I. and Kumar, Vikash and Shukla, Praveen K.} } @article { ISI:000300076200019, title = {Synthesis and stereochemistry of highly crowded N-benzylpiperidones}, journal = {Journal of Molecular Structure}, volume = {1007}, year = {2012}, month = {JAN}, pages = {158-167}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A series of N-benzylated 3,5-diakyl-2,6-diarylpiperidin-4-ones 4-8 were conveniently synthesized in significant yields of 68-88\% by N-benzylation of the corresponding 2,6-diaryl-3,5-dimethylpiperidin-4-ones 1-3 using different benzyl bromides. Initially, the new piperidone 2,6-bis(4-ethoxypheny1)-3,5-dimethylpiperidin-4-one 3 was synthesized by the condensation of 1:1:2 M ratio of 3-pentanone, ammonium acetate and para-ethoxybenzaldehyde in ethanolic medium. All the synthesized new compounds 3-8 were characterized by their analytical and spectral (IR, H-1 and C-13 NMR) interpretations. The stereochemistry of the new piperidone 3 was elucidated as chair conformation with an equatorial orientation of all substituents, suggested by its vicinal couplings from H-1 NMR spectrum. To investigate the impact on piperidone stereochemistry as well as NMR chemical shifts, all the N-benzylated products 4-8 were compared with their corresponding precursors, and as a result, it is clearly established that all the synthesized N-benzyl piperidones exist in the chair conformation with an equatorial orientation of all the substituents at C-2, C-3, C-5, C-6 and N. Contrary to the probability all N-benzylated compounds retain the same conformation and configuration as their precursors, however, a remarkable change on the chemical shifts are observed. For the further unambiguous confirmation of stereochemistry, the 1-benzyl-3,5-dimethyl-2,6-diphenylpiperidin-4-one 4 was examined by single-crystal X-ray diffraction. The compound 4, C26H27NO, crystallized in a P-1 space group under triclinic system with unit cell dimensions a, b, c (angstrom) and alpha, beta, gamma (degrees) of 10.156(2), 11.002(2), 11.348(4) and 116.74(4), 100.81(3), 100.17(3), respectively. (C) 2011 Elsevier B.V. All rights reserved.

}, keywords = {Chair conformation, Configuration, crystal structure, N-benzylation, NMR, Piperidin-4-one}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2011.10.037}, author = {Dindulkar, Someshwar D. and Parthiban, Paramasivam and Puranik, Vedavati G. and Jeong, Yeon Tae} } @article { ISI:000303157400022, title = {Synthesis and structural characterization of homochiral homo-oligomers of cis-gamma-methoxy-substituted cis- and trans-furanoid-beta-amino acids}, journal = {European Journal of Organic Chemistry}, number = {13}, year = {2012}, month = {MAY}, pages = {2656-2663}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

Herein we describe the synthesis of cis-/trans-3-aminotetrahydrofuran-2-carboxylic acids (cis-/trans-FAA) having a ?-methoxy group cis to the amine. The homo-oligomers of these two diastereomeric FAAs have been prepared. Preliminary investigation of their solution secondary structures revealed that they are the same as the homo-oligomers of the parent cis-/trans-FAA with the methoxy group only being a spectator substituent.

}, keywords = {Amino acids, helical structures, Oxygen heterocycles, Peptides}, issn = {1434-193X}, doi = {10.1002/ejoc.201101424}, author = {Giri, Awadut G. and Jogdand, Ganesh F. and Rajamohanan, Pattuparampil R. and Pandey, Sunil K. and Ramana, Chepuri V.} } @article { ISI:000312519900003, title = {Temperature-dependent spectroscopic evidences of curcumin in aqueous medium: a mechanistic study of its solubility and stability}, journal = {Journal of Physical Chemistry B}, volume = {116}, number = {50}, year = {2012}, month = {DEC}, pages = {14533-14540}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

In curcumin, keto-enol-enolate equilibrium of the heptadiene-dione moiety determines its physiochemical and antioxidant properties. However, its poor solubility in water at neutral pH and room temperature decreases its bioavailability. Potential therapeutic applications have triggered an interest in manipulating the solubility of curcumin in water as its stability and solubility in water remains poorly understood. Here, the mechanism behind its solubility at various temperatures and the influence of interplay of temperature, intramolecular H-bonding, and intermolecular forces is reported, which leads to aggregation-disaggregation at various temperatures. Remarkable change is observed in temperature-dependent electronic transition behavior of curcumin, however, the absorption spectra after cooling and heating cycles remain unchanged, hinting much better thermal stability of curcumin in water than previously thought. This study indicates that it is perhaps the breaking of intramolecular hydrogen bonding which leads to exposure of polar groups and hence responsible for the dissolution of curcumin at higher temperature. The formation of intermolecular aggregates might be responsible behind a better room temperature stability of the molecules after cooling its aqueous suspension from 90 to 25 degrees C. These curcumin solubility studies have great application in biological research with reference to bioavailability and to understand target oriented mode of action of curcumin.

}, issn = {1520-6106}, doi = {10.1021/jp3050516}, author = {Jagannathan, Ramya and Abraham, Priya Mary and Poddar, Pankaj} } @article { ISI:000308976200010, title = {Thermal expansion properties of stannosilicate molecular sieve with MFI type structure}, journal = {Chemical Physics Letters}, volume = {548}, year = {2012}, month = {OCT}, pages = {51-54}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

An in situ high temperature X-ray diffraction study was carried out for investigating the thermal expansion properties of Si-MFI and SnSi-MFI molecular sieves. The thermal stability up to 973 K and a negative lattice thermal expansion in anisotropic manner was exhibited by both the phases in the temperature range of 373-973 K. The trend observed in contraction along the axes was as: a \> c \> b. The substitution of Sn4+ in MFI framework resulted in an expansion of unit cell volume and in an increase in the lattice thermal expansion coefficient in the temperature range 423-973 K. (C) 2012 Elsevier B. V. All rights reserved.

}, issn = {0009-2614}, doi = {10.1016/j.cplett.2012.08.023}, author = {Niphadkar, P. S. and Bhange, Deu S. and Selvaraj, K. and Joshi, P. N.} } @article { ISI:000307308000020, title = {Transesterification of diethyl oxalate with phenol over sol-gel MoO3/TiO2 catalysts}, journal = {Chemsuschem}, volume = {5}, number = {8}, year = {2012}, month = {JUL}, pages = {1467-1473}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

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

}, keywords = {heterogeneous catalysis, Lewis acids, Oxidation, sol-gel processes, transesterification}, issn = {1864-5631}, doi = {10.1002/cssc.201100802}, author = {Kotbagi, Trupti and Duy Luan Nguyen and Lancelot, Christine and Lamonier, Carole and Thavornprasert, Kaew-Arpha and Zhu Wenli and Capron, Mickael and Jalowiecki-Duhamel, Louise and Shubhangi B. Umbarkar and Dongare, Mohan K. and Dumeignil, Franck} } @article { ISI:000299158700036, title = {Tuberculosis drug streptomycin as a potential cancer therapeutic: inhibition of miR-21 function by directly targeting its precursor}, journal = {Angewandte Chemie-International Edition}, volume = {51}, number = {4}, year = {2012}, month = {DEC}, pages = {1019-1023}, publisher = {WILEY-BLACKWELL}, type = {Article}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, keywords = {Apoptosis, drug discovery, Gene expression, inhibitors, RNA}, issn = {1433-7851}, doi = {10.1002/anie.201106455}, author = {Bose, Debojit and Jayaraj, Gopal Gunanathan and Suryawanshi, Hemant and Agarwala, Prachi and Pore, Subrata Kumar and Banerjee, Rajkumar and Maiti, Souvik} } @article { ISI: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:000325423500046, title = {Alterations in the helicoverpa armigera midgut digestive physiology after ingestion of pigeon pea inducible leucine aminopeptidase}, journal = {Plos One}, volume = {8}, number = {9}, year = {2013}, month = {SEP}, pages = {e74889}, publisher = {PUBLIC LIBRARY SCIENCE}, address = {1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA}, abstract = {

Jasmonate inducible plant leucine aminopeptidase (LAP) is proposed to serve as direct defense in the insect midgut. However, exact functions of inducible plant LAPs in the insect midgut remain to be estimated. In the present investigation, we report the direct defensive role of pigeon pea inducible LAP in the midgut of Helicoverpa armigera (Lepidoptera: Noctuidae) and responses of midgut soluble aminopeptidases and serine proteinases upon LAP ingestion. Larval growth and survival was significantly reduced on the diets supplemented with pigeon pea LAP. Aminopeptidase activities in larvae remain unaltered in presence or absence of inducible LAP in the diet. On the contrary, serine proteinase activities were significantly decreased in the larvae reared on pigeon pea LAP containing diet as compared to larvae fed on diet without LAP. Our data suggest that pigeon pea inducible LAP is responsible for the degradation of midgut serine proteinases upon ingestion. Reduction in the aminopeptidase activity with LpNA in the H. armigera larvae was compensated with an induction of aminopeptidase activity with ApNA. Our findings could be helpful to further dissect the roles of plant inducible LAPs in the direct plant defense against herbivory.

}, issn = {1932-6203}, doi = {10.1371/journal.pone.0074889}, author = {Lomate, Purushottam R. and Jadhav, Bhakti R. and Giri, Ashok P. and Hivrale, Vandana K.} } @article { ISI:000326319700002, title = {Antimycobacterial labdane diterpenes from leucas stelligera}, journal = {Journal of Natural Products}, volume = {76}, number = {10}, year = {2013}, month = {OCT}, pages = {1836-1841}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Phytochemical investigation of the acetone extract of the aerial parts of Leucas stelligera afforded four new compounds (1-4) belonging to the labdane diterpene series as well as two known flavones, velutin (5) and chrysoeriol (6). Structure elucidation of the new compounds was carried out using ID and 2D NMR spectroscopic data and single-crystal X-ray crystallography of compound 1. Compounds 1-4 exhibited selective antimycobacterial activity against Mycobacterium tuberculosis with IC50 values in the range 5.02-9.80 mu g/mL.

}, issn = {0163-3864}, doi = {10.1021/np400002p}, author = {Kulkarni, Roshan R. and Shurpali, Ketaki and Puranik, Vedavati G. and Sarkar, Dhiman and Joshi, Swati P.} } @article {43231, title = {Band-like transport in high mobility unencapsulated single-layer MoS2 transistors}, journal = {Applied Physics Letters}, volume = {102}, year = {2013}, month = {APR}, pages = {Article Number: 173107}, abstract = {Ultra-thin MoS2 has recently emerged as a promising two-dimensional semiconductor for electronic and optoelectronic applications. Here, we report high mobility (>60 cm(2)/Vs at room temperature) field-effect transistors that employ unencapsulated single-layer MoS2 on oxidized Si wafers with a low level of extrinsic contamination. While charge transport in the sub-threshold regime is consistent with a variable range hopping model, monotonically decreasing field-effect mobility with increasing temperature suggests band-like transport in the linear regime. At temperatures below 100 K, temperature-independent mobility is limited by Coulomb scattering, whereas, at temperatures above 100 K, phonon-limited mobility decreases as a power law with increasing temperature. (C) 2013 AIP Publishing LLC.}, doi = {10.1063/1.4803920}, author = {Jariwala, Deep and Sangwan, Vinod K. and Late, Dattatray J. and Johns, James E. and Dravid, Vinayak P. and Marks, Tobin J. and Lauhon, Lincoln J. and Hersam, Mark C.} } @article { ISI:000327558400001, title = {Base-catalyzed mukaiyama-type aldol additions, a continued quest for stereoselectivity}, journal = {Tetrahedron-Asymmetry}, volume = {24}, number = {21-22}, year = {2013}, month = {NOV}, pages = {1345-1363}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Base-catalyzed reactions of silyl enolates with carbonyl compounds are an attractive variant of conventional directed aldol reactions. Over the past two decades, the reaction has gained prominence due to its inherent advantage for stereoselective manipulations. The present review provides a brief account of developments in this area. Various approaches are grouped together in order to provide the salient features of each conceptual development. It appears that the methods which generate nascent chiral enolates or cationic siliconium species have the biggest influence on the stereoselectivity. (C) 2013 Elsevier Ltd. All rights reserved.

}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2013.09.012}, author = {Sutar, Revannath L. and Joshi, Navalkishore N.} } @article { ISI:000324309600011, title = {Basic structural motif and major biophysical properties of Amyloid-beta are encoded in the fragment 18-35}, journal = {Chemical Physics}, volume = {422}, number = {SI}, year = {2013}, month = {AUG}, pages = {80-87}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Aggregation and misfolding of the amyloid beta (A beta) peptide is thought to initiate Alzheimer{\textquoteright}s disease (AD). Here we study the role played by its central segment (A beta(18-35)) in determining these properties. A beta(18-35) has a solubility of 18 mu M. The soluble fraction consists mainly of small oligomers, which have mixed beta-sheet and random coil structures. The monomer is mostly a random coil with some residual compactness. Aggregated A beta(18-35) forms fibrils of width 3.0 +/- 0.7 nm, which is consistent with a hairpin shape. Each of these properties has a close similarity to A beta(40). Remarkably, solid state NMR indicates that the fibrils also retain the secondary structure and tertiary contacts of A beta(40). This is the shortest fragment of A beta reported so far which preserves its fibrillar architecture, including the hairpin turn, as well as its solution phase conformational properties. Residues 18-35 should therefore be a key target of AD therapeutics. (C) 2013 Published by Elsevier B. V.

}, keywords = {Alzheimer{\textquoteright}s disease, Fluorescence correlation spectroscopy, Protein aggregation, Solid-state NMR}, issn = {0301-0104}, doi = {10.1016/j.chemphys.2013.01.010}, author = {Chandrakesan, Muralidharan and Sarkar, Bidyut and Mithu, Venus Singh and Rajiv M. Abhyankar and Bhowmik, Debanjan and Nag, Suman and Sahoo, Bankanidhi and Shah, Riddhi and Gurav, Sushma and Banerjee, Raja and Dandekar, Sucheta and Jose, Jaya C. and Sengupta, Neelanjana and Madhu, Perunthiruthy K. and Maiti, Sudipta} } @article { ISI:000319992200002, title = {Biochemical correlate of dimorphism in a zygomycete benjaminiella poitrasii: characterization of purified NAD-dependent glutamate dehydrogenase, a target for antifungal agents}, journal = {Antonie Van Leeuwenhoek International Journal of General and Molecular Microbiology}, volume = {104}, number = {1}, year = {2013}, month = {JUL}, pages = {25-36}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

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

}, keywords = {Antifungal agent, Benjaminiella poitrasii, Biochemical correlate of dimorphism, Candida albicans, NAD-GDH activity regulation, Yarrowia lipolytica, Yeast-hypha reversible transition}, issn = {0003-6072}, doi = {10.1007/s10482-013-9921-5}, author = {Joshi, C. V. and Pathan, E. K. and Punekar, N. S. and Tupe, S. G. and Kapadnis, B. P. and Deshpande, Mukund V.} } @article { ISI:000324732600001, title = {Biosurfactant-sophorolipid acts in synergy with antibiotics to enhance their efficiency}, journal = {Biomed Research International}, year = {2013}, month = {APR}, pages = {512495}, publisher = {HINDAWI PUBLISHING CORPORATION}, address = {410 PARK AVENUE, 15TH FLOOR, \#287 PMB, NEW YORK, NY 10022 USA}, abstract = {

Sophorolipids (SLs), biosurfactants with antimicrobial properties, have been tried to address the problem of antibiotic resistance. The synergistic action of SL and antibiotics was checked using standard microdilution and spread plate methods. With Staphylococcus aureus, SL-tetracycline combination achieved total inhibition before 4 h of exposure while tetracycline alone couldnot achieve total inhibition till the end of 6 h. The inhibition caused by exposure of bacterium to SL-tetracycline mixture was similar to 25\% more as compared to SL alone. In spite of known robustness of gram-negative bacteria, SL-cefaclor mixture proved to be efficient against Escherichia coli which showed similar to 48\% more inhibition within 2 h of exposure as compared to cefaclor alone. Scanning electron microscopy of the cells treated with mixture revealed bacterial cell membrane damage and pore formation. Moreover, SLs being a type of asymmetric bola, they are expected to form self-assemblies with unique functionality. This led to the speculation that SLs being amphiphilic in nature can span through the structurally alike cell membrane and facilitate the entry of drug molecules.

}, issn = {2314-6133}, doi = {10.1155/2013/512495}, author = {Joshi-Navare, Kasturi and Prabhune, Asmita} } @article { ISI:000312004800088, title = {Bulk and surface structure characterization of nanoscopic silver doped lanthanum chromites}, journal = {Applied Surface Science}, volume = {264}, year = {2013}, month = {JAN}, pages = {574-580}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Crystalline state of lanthanum chromites with silver as a dopant has been studied by X-ray diffraction and transmission electron microscopy reveals microscopic properties of grain boundaries. X-ray photoelectron spectroscopy has been used to analyze surface states with atomic ratio of La, Cr, O and Ag as a dopant. LaCrO3 shows mixed valence states of chromium while the silver doped samples exhibit differences in chromium concentration with the oxidation of Cr3+ to Cr6+ in presence of chromium nitrate as a precursor salt. Trivalent stable state of chromium is observed for samples synthesized by chromic acetate as a precursor salt. (C) 2012 Elsevier B.V. All rights reserved.

}, keywords = {Energy dispersive analysis of X-rays, Microwave combustion synthesis, Perovskite nanostructures, transmission electron microscopy, X-ray diffraction, X-ray photoelectron spectroscopy}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2012.10.067}, author = {Desai, P. A. and Joshi, P. N. and Patil, K. R. and Athawale, Anjali A.} } @article { ISI:000326660900038, title = {Carrier free co-immobilization of alpha amylase, glucoamylase and pullulanase as combined cross-linked enzyme aggregates (combi-CLEAs): a tri-enzyme biocatalyst with one pot starch hydrolytic activity}, journal = {Bioresource Technology}, volume = {147}, year = {2013}, month = {NOV}, pages = {269-275}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

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

}, keywords = {Alpha amylase, Combined cross-linked enzyme aggregates (combi-CLEAs), Glucoamylase, One pot starch hydrolysis, Pullulanase}, issn = {0960-8524}, doi = {10.1016/j.biortech.2013.08.035}, author = {Talekar, Sachin and Pandharbale, Amol and Ladole, Mayur and Nadar, Shamraja and Mulla, Mosin and Japhalekar, Kshitija and Pattankude, Kishori and Arage, Devika} } @article { ISI:000320976600013, title = {Catalytic upgrading of renewable levulinic acid to ethyl levulinate biodiesel using dodecatungstophosphoric acid supported on desilicated H-ZSM-5 as catalyst}, journal = {Applied Catalysis A-General}, volume = {460}, year = {2013}, month = {JUN}, pages = {90-98}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Levulinic acid (LA) is considered as a renewable platform chemical and can be used for the synthesis of variety of important fuels and chemicals. In particular, its esterification with ethanol produces ethyl levulinate (EL) would be green process, as it can be used as diesel miscible biofuel (DMB), preventing global warming by decreasing atmospheric CO2. This study explores the use of modified H-ZSM-5 by desilication viz.; DH-ZSM-5 and dodecatungstophosphoric acid (DTPA) loaded on DH-ZSM-5 for esterification of LA with ethanol aiming to EL. Different degree of desilication of H-ZSM-5 was performed by using aq. NaOH (0.2-1.5 M) at 338 K for 30 min and then DTPA was loaded on these desilicated H-ZSM-5 (DH-ZSM-5) support. H-ZSM-5, DH-ZSM-5 and DTPA on these DH-ZSM-5 samples were characterized by powder x-ray diffraction (XRD), N-2 adsorption-desorption, pyridine chemisorbed IR spectroscopy, Temperature Programmed Ammonia Desorption (TPAD). The increase in conversion of levulinic acid was observed from 28\% to 94\% with increase of DTPA loading from 0\% to 15\%. The increased LA conversion may be due to increase in total acidity from 43.14\% to 84.31\%. The use of DH-ZSM-5 as support for deposition of DTPA may be reported for the first time. The present work also extended to optimize process parameters such as DTPA loading on DH-ZSM-5, catalyst to LA ratio, LA to ethanol molar ratio, speed of agitation, particle size reaction temperature and catalyst reusability. Kinetic study based on pseudo-homogeneous (P-H) model is also presented. The experimental results follow second order kinetics. (C) 2013 Elsevier B.V. All rights reserved.

}, keywords = {desilicated H-ZSM-5, DTPA on desilicated H-ZSM-5, Esterification, ethyl levulinate, levulinic acid}, issn = {0926-860X}, doi = {10.1016/j.apcata.2013.04.024}, author = {Nandiwale, Kakasaheb Y. and Sonar, Shilpa K. and Niphadkar, Prashant S. and Joshi, Praphulla N. and Deshpande, Shilpa S. and Patil, Vilas S. and Bokade, Vijay V.} } @article { ISI:000326056600165, title = {Chemically conjugated sophorolipids on CdTe QDs: a biocompatible photoluminescence nanocomposite for theranostic applications}, journal = {RSC Advances}, volume = {3}, number = {44}, year = {2013}, month = {SEP}, pages = {22319-22325}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Functional nontoxic cadmium telluride (CdTe) quantum dots (QDs) have been synthesized using a natural functional glycolipid belonging to the family of sophorolipids (SL) as a surface-modifying agent. These SLs with open acidic form are highly suitable for QDs stabilization, are readily obtained by a fermentation process of the yeast Candida bombicola (polymorph Starmerella bombicola) in large amounts. In this work chemically stable, water soluble, and photoluminescent CdTe QDs were successfully conjugated to sophorolipids via a cross-linking reaction. The formation of SLs conjugated CdTe QDs was confirmed using different analytical techniques X-ray Diffraction (XRD), Fourier Transform Infrared Spectroscopy (FTIR), Transmission Electron Microscopy (TEM), Electron Diffraction (ED), Atomic Force Microscopy (AFM), Dynamic Light Scattering (DLS), and Photoluminescence (PL). It was shown that after being conjugated with SL the SL-CdTe QDs becomes biocompatible, still maintaining its water solubility and photoluminescence properties. The final SL coated photoluminescent CdTe QDs represent interesting biocompatible materials potentially useful for biomedical applications.

}, issn = {2046-2069}, doi = {10.1039/c3ra44535f}, author = {Singh, Pooja and Joshi, Kasturi and Guin, Debanjan and Prabhune, Asmita} } @article { ISI:000325204200090, title = {Cinnamic acid derivatives via heck reaction in an aqueous-biphasic catalytic system with easy catalyst-product separation}, journal = {Asian Journal of Chemistry}, volume = {25}, number = {15, A}, year = {2013}, month = {NOV}, pages = {8633-8637}, publisher = {ASIAN JOURNAL OF CHEMISTRY}, address = {11/100 RAJENDRA NAGAR, SECTOR 3,, SAHIBABAD 201 005, GHAZIABAD, INDIA}, abstract = {

A true biphasic [aqueous-organic] system for the coupling of water soluble sodium acrylate with different aryl halides for the synthesis of cinnamic acid derivatives has been developed, employing palladium catalysts that is soluble in organic phase. Amongst them, palladacycle was found to be stable in presence of water and could be recycled for four times with no loss in the activity. Such a system facilitates easy recycle of catalyst and also the removal of the salts from the catalyst phase, ensuring high activity with respect to cumulative turn over number (TON) and turn over frequency (TOF). The reaction was facilitated by organic as well as inorganic bases. The efficiency of the catalyst, role of organic/inorganic bases on the activity is reported.

}, keywords = {Biphasic catalysis, Heck reaction, Palladacycle, Separation}, issn = {0970-7077}, author = {Jagtap, Sangeeta Vijay and Deshpande, R. M.} } @article { ISI:000326207600012, title = {Complementation of intramolecular interactions for structural-functional stability of plant serine proteinase inhibitors}, journal = {Biochimica Et Biophysica Acta-General Subjects}, volume = {1830}, number = {11}, year = {2013}, month = {NOV}, pages = {5087-5094}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Background: Plant protease inhibitors (PIs) constitute a diverse group of proteins capable of inhibiting proteases. Among Pls, serine Pls (SPIs) display stability and conformational restrictions of the reactive site loop by virtue of their compact size, and by the presence of disulfide bonds, hydrogen bonds, and other weak interactions. Scope of review: The significance of various intramolecular interactions contributing to protein folding mechanism and their role in overall stability and activity of SPIs is discussed here. Furthermore, we have reviewed the effect of variation or manipulation of these interactions on the activity/stability of SPIs. Major conclusions: The selective gain or loss of disulfide bond(s) in SPIs can be associated with their functional differentiation, which is likely to be compensated by non-covalent interactions (hydrogen bonding or electrostatic interactions). Thus, these intramolecular interactions are collectively responsible for the functional activity of SPIs, through the maintenance of scaffold framework, conformational rigidity and shape complementarities of reactive site loop. General significance: Structural insight of these interactions will provide an in-depth understanding of kinetic and thermodynamic parameters involved in the folding and stability mechanisms of SPIs. These features can be explored for engineering canonical SPIs for optimizing their overall stability and functionality for various applications. (C) 2013 Elsevier B.V. All rights reserved.

}, keywords = {Disulfide bond, hydrogen bonding, Intramolecular weak interaction, Protease, Reactive site loop, Serine proteinase inhibitor}, issn = {0304-4165}, doi = {10.1016/j.bbagen.2013.07.019}, author = {Joshi, Rakesh S. and Mishra, Manasi and Suresh, C. G. and Gupta, Vidya S. and Giri, Ashok P.} } @article { ISI:000326148700058, title = {Contact potential induced enhancement of magnetization in polyaniline coated nanomagnetic iron oxides by plasma polymerization}, journal = {Applied Physics Letters}, volume = {103}, number = {16}, year = {2013}, month = {OCT}, pages = {162414}, publisher = {AMER INST PHYSICS}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {

The present work derives motivation from the so called surface/interfacial magnetism in core shell structures and commercial samples of Fe3O4 and gamma Fe2O3 with sizes ranging from 20 to 30 nm were coated with polyaniline using plasma polymerization and studied. The High Resolution Transmission Electron Microscopy images indicate a core shell structure after polyaniline coating and exhibited an increase in saturation magnetization by 2 emu/g. For confirmation, plasma polymerization was performed on maghemite nanoparticles which also exhibited an increase in saturation magnetization. This enhanced magnetization is rather surprising and the reason is found to be an interfacial phenomenon resulting from a contact potential. (C) 2013 AIP Publishing LLC.

}, issn = {0003-6951}, doi = {10.1063/1.4826459}, author = {Sethulakshmi, N. and Sooraj, V. and Sajeev, U. S. and Nair, Swapna S. and Narayanan, T. N. and Joy, Lija K. and Joy, Pattayil Alias and Ajayan, Pulickel M. and Anantharaman, Maliemadom R.} } @article { ISI:000326121800014, title = {Continuous flow multipoint dosing approach for selectivity engineering in sulfoxidation}, journal = {Organic Process Research \& Development}, volume = {17}, number = {10}, year = {2013}, month = {OCT}, pages = {1293-1299}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A continuous synthesis approach with multipoint dosing of one of the reagents is demonstrated for the synthesis of sulfoxide compounds such as proton pump inhibitors. Use of multipoint dosing of the oxidizing agent helped to minimize the possibility of over-oxidation leading to sulfone. Different oxidizing agents were used, and the effect of various parameters (viz. mole ratio of sulfide to oxidizing agent, temperature, residence time, concentration of oxidizing agent, etc.) on the yield of the desired sulfoxide compound was studied. Single-point and multipoint dosing approaches of the oxidizing agent were used for the most promising set of parameters. The performance was compared in terms of conversion of sulfide and the selectivity of the desired sulfoxide. Numbering up approach was used to produce the sulfoxide in a relatively large quantity at laboratory scale with complete conversion and over 99\% selectivity for the sulfoxide.

}, issn = {1083-6160}, doi = {10.1021/op400138v}, author = {Kulkarni, A. A. and Nivangune, N. T. and Joshi, Rohini R. and Joshi, Ramesh A.} } @article { ISI:000313330000017, title = {Correlation between the variation in observed melting temperatures and structural motifs of the global minima of gallium clusters: an ab initio study}, journal = {Journal of Chemical Physics}, volume = {138}, number = {1}, year = {2013}, month = {JAN}, pages = {014303}, publisher = {AMER INST PHYSICS}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {

We have investigated the correlation between the variation in the melting temperature and the growth pattern of small positively charged gallium clusters. Significant shift in the melting temperatures was observed for a change of only few atoms in the size of the cluster. Clusters with size between 31-42 atoms melt between 500-600 K whereas those with 46-48 atoms melt around 800 K. Density functional theory based first principles simulations have been carried out on Ga-n(+) clusters with n = 31, ... , 48. At least 150 geometry optimizations have been performed towards the search for the global minima for each size resulting in about 3000 geometry optimizations. For gallium clusters in this size range, the emergence of spherical structures as the ground state leads to higher melting temperature. The well-separated core and surface shells in these clusters delay isomerization, which results in the enhanced stability of these clusters at elevated temperatures. The observed variation in the melting temperature of these clusters therefore has a structural origin. (C) 2013 American Institute of Physics. [http://dx.doi.org/10.1063/1.4772470]

}, issn = {0021-9606}, doi = {10.1063/1.4772470}, author = {Susan, Anju and Kibey, Aniruddha and Kaware, Vaibhav and Joshi, Kavita} } @article { ISI:000322611900037, title = {Correlation of hydrogen-bonding propensity and anticancer profile of tetrazole-tethered combretastatin analogues}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {23}, number = {16}, year = {2013}, month = {AUG}, pages = {4680-4684}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A series of 1,5-disubstituted tetrazole-tethered combretastatin analogues with extended hydrogen-bond donors at the ortho-positions of the aryl A and B rings were developed and evaluated for their antitubulin and antiproliferative activity. We wanted to test whether intramolecular hydrogen-bonding used as a conformational locking element in these analogues would improve their activity. The correlation of crystal structures with the antitubulin and antiproliferative profiles of the modified analogues suggested that hydrogen-bond-mediated conformational control of the A ring is deleterious to the bioactivity. In contrast, although there was no clear evidence that intramolecular hydrogen bonding to the B ring enhanced activity, we found that increased substitution on the B ring had a positive effect on antitubulin and antiproliferative activity. Among the various analogues synthesized, compounds 5d and 5e, having hydrogen-bonding donor groups at the ortho and meta-positions on the 4-methoxy phenyl B ring, are strong inhibitors of tubulin polymerization and antiproliferative agents having IC50 value in micromolar concentrations. (C) 2013 Elsevier Ltd. All rights reserved.

}, keywords = {Colchicine, Combretastatin, Crystal, Tetrazole, Tubulin}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2013.06.004}, author = {Jedhe, Ganesh S. and Paul, Debasish and Gonnade, Rajesh G. and Santra, Manas K. and Hamel, Ernest and Tam Luong Nguyen and Sanjayan, Gangadhar J.} } @article { ISI:000312217200015, title = {Critical roles of key domains in complete adsorption of a beta peptide on single-walled carbon nanotubes: insights with point mutations and MD simulations}, journal = {Physical Chemistry Chemical Physics}, volume = {15}, number = {3}, year = {2013}, month = {NOV}, pages = {837-844}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Owing to the influence of nanomaterials on biomacromolecular behavior, their potential applications are rapidly gaining attention. Based on atomistic molecular dynamics simulation studies we have recently reported that the full-length A beta peptide, whose self-assembly is associated with Alzheimer{\textquoteright}s disease, adsorbs rapidly on single-walled carbon nanotubes, thereby losing its natural propensity to collapse. Here, we investigate the mechanistic overlap between the peptide{\textquoteright}s compactification and its adsorption, while decoupling the roles of hydrophobicity and aromaticity via point mutations. The collapse mechanism is correlated with interactions between the central hydrophobic core (HP1) and the peptide{\textquoteright}s C-terminal domain, which are almost exactly compensated by interactions arising from the nanotube after complete adsorption. Adsorption is initiated by HP1 and consolidated by strong interactions arising from the N-terminal domain. Altering the hydrophobicity, but not the aromatic character, of the central residue in HP1 decreases the collapse probability. On the other hand, the adsorption propensity is dramatically reduced when either the hydrophobicity or the aromatic character in HP1 is compromised. The hydrophobicity of HP1 is responsible for dewetting transitions that facilitate its initial interactions with the nanotube, which then lead to very favorable interactions with the nanotube.

}, issn = {1463-9076}, doi = {10.1039/c2cp42933k}, author = {Jana, Asis K. and Jose, Jaya C. and Sengupta, Neelanjana} } @article { ISI:000316341000001, title = {Crystalline xylitol production by a novel yeast, pichia caribbica (HQ222812), and its application for quorum sensing inhibition in gram-negative marker strain chromobacterium violaceum CV026}, journal = {Applied Biochemistry and Biotechnology}, volume = {169}, number = {6}, year = {2013}, month = {MAR}, pages = {1753-1763}, publisher = {HUMANA PRESS INC}, address = {999 RIVERVIEW DRIVE SUITE 208, TOTOWA, NJ 07512 USA}, abstract = {

Xylitol, a sugar alcohol, is fast gaining ground over other artificial sugar substitutes owing to its advantageous properties. Xylitol is a safer alternative for diabetics because of insulin-independent metabolism. It has beneficial properties suitable to form an important part of odontological formulations. Conventional commercial production of xylitol involves harsh chemical method operating at high temperature and pressure. Thus, microbial production of xylitol is preferred over chemical method, and yeasts have been extensively exploited for this purpose. In the present manuscript, quantitative production of xylitol from d-xylose with the yield of 0.852 gm/gm and volumetric productivity of 1.83 gm/l/h in crystalline form, using novel yeast Pichia caribbica is reported. Also, a mild, safe procedure for product extraction is described. The ability of xylitol to act as a quorum sensing antagonist in gram-negative marker strain Chromobacterium violaceum CV026 has been demonstrated for the first time.

}, keywords = {Crystallization, CV026, Pichia caribbica, Quorum sensing antagonist, xylitol}, issn = {0273-2289}, doi = {10.1007/s12010-012-0039-4}, author = {Mukherji, Ruchira and Joshi-Navare, Kasturi and Prabhune, Asmita} } @article { ISI:000326058500009, title = {Crystallization kinetics of Sn-MFI molecular sieve formation by dry gel cross mark conversion method}, journal = {Microporous and Mesoporous Materials}, volume = {182}, year = {2013}, month = {DEC}, pages = {73-80}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {Crystallization, DGC, kinetics, Nucleation, Sn-MFI}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2013.08.026}, author = {Niphadkar, P. S. and Tangale, N. P. and Joshi, P. N. and Awate, S. V.} } @article { ISI:000327803900050, title = {Dehydrogenation of cyclohexanol over Cu/Al2O3 catalysts prepared with different precipitating agents}, journal = {Applied Catalysis A-General}, volume = {467}, year = {2013}, month = {OCT}, pages = {421-429}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {Characterization, Cu/Al2O3, Cyclohexanol dehydrogenation, Precipitating agent, Tetraalkyl ammonium hydroxide}, issn = {0926-860X}, doi = {10.1016/j.apcata.2013.07.063}, author = {Tangale, Nilesh P. and Niphadkar, Prashant S. and Deshpande, Shilpa S. and Joshi, Praphulla N.} } @article { ISI:000319417100005, title = {Design, synthesis, structural characterization by IR, 1H, 13C, 15N, 2D-NMR, X-ray diffraction and evaluation of a new class of phenylaminoacetic acid benzylidene hydrazines as pfENR inhibitors}, journal = {Chemical Biology \& Drug Design}, volume = {81}, number = {6}, year = {2013}, month = {JUN}, pages = {715-729}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

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

}, keywords = {ADMET, docking, enoyl-ACP reductase, FabI, hydrogen bonding, NMR, phenylaminoacetic acid benzylidene hydrazine, Plasmodium falciparum, Plasmodium falciparum enoyl-ACP reductase, QSAR, recursive partitioning, X-ray diffraction}, issn = {1747-0277}, doi = {10.1111/cbdd.12118}, author = {Samal, Ramanuj P. and Khedkar, Vijay M. and Pissurlenkar, Raghuvir R. S. and Bwalya, Angela Gono and Tasdemir, Deniz and Joshi, Ramesh A. and Rajamohanan, P. R. and Puranik, Vedavati G. and Coutinho, Evans C.} } @article { ISI:000318443400003, title = {Differential protease activity augments polyphagy in helicoverpa armigera}, journal = {Insect Molecular Biology}, volume = {22}, number = {3}, year = {2013}, month = {JUN}, pages = {258-272}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Helicoverpa armigera (Lepidoptera: Noctuidae) and other polyphagous agricultural pests are extending their plant host range and emerging as serious agents in restraining crop productivity. Dynamic regulation, coupled with a diversity of digestive and detoxifying enzymes, play a crucial role in the adaptation of polyphagous insects. To investigate the functional intricacy of serine proteases in the development and polyphagy of H.armigera, we profiled the expression of eight trypsin-like and four chymotrypsin-like phylogenetically diverse mRNAs from different life stages of H.armigera reared on nutritionally distinct host plants. These analyses revealed diet- and stage-specific protease expression patterns. The trypsins expressed showed structural variations, which might result in differential substrate specificity and interaction with inhibitors. Protease profiles in the presence of inhibitors and their mass spectrometric analyses revealed insight into their differential activity. These findings emphasize the differential expression of serine proteases and their consequences for digestive physiology in promoting polyphagy in H.armigera.

}, keywords = {adaptation, chymotrypsin, Helicoverpa armigera, polyphagy, Trypsin}, issn = {0962-1075}, doi = {10.1111/imb.12018}, author = {Chikate, Yojana R. and Tamhane, V. A. and Joshi, Rakesh S. and Gupta, Vidya S. and Giri, Ashok P.} } @article { ISI:000315548100030, title = {Effect of foulants on arsenic rejection via polyacrylonitrile ultrafiltration (UF) membrane}, journal = {Desalination}, volume = {309}, year = {2013}, month = {JAN}, pages = {243-246}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Arsenic rejection via modified polyacrylonitrile ultrafiltration (UF) membrane was found to be very high, however, the presence of commonly found foulants in arsenic solution affected membrane performance. The effect of commonly found foulants, such as ovalbumin, humic acid and egg white on arsenic rejection were studied. Experiments indicated that the As(V) rejection was affected by the total quantity of proteins and not the variety of proteins present in a solution. As(V) rejection was found to decrease with increasing proteins while fouling was found to increase from 25\% for 0.1 mg/ml to 33\% for 0.5 mg/ml egg white. The As(V) rejection was found to decrease with increasing concentration of humic acid for PAN membranes. Fouling studies showed that humic acid was a lesser foulant in comparison to egg white. However a combination of the two foulants led to a decrease in the overall fouling. pH was also found to be a very important factor for egg white dissolution and As(V) rejection. (C) 2012 Elsevier B.V. All rights reserved.

}, keywords = {Arsenic rejection, Egg white, Humic acid, Ovalbumin, Polyacrylonitrile, Ultrafiltration}, issn = {0011-9164}, doi = {10.1016/j.desal.2012.10.023}, author = {Agarwal, Gopal P. and Karan, Raj and Bharti, Sachin and Kumar, Hemant and Jhunjhunwala, Sumit and Sreekrishnan, T. R. and Kharul, Ulhas K.} } @article { ISI:000323644600048, title = {Enhanced dual-effect of adsorption and photodegradation of SiO2 embedded TiO2 hybrid catalyst for improved decolourization of methylene blue}, journal = {Water Air and Soil Pollution}, volume = {224}, number = {9}, year = {2013}, month = {SEP}, pages = {1726}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

Dual-effects of adsorption and photodegradation over titania, silica embedded titania, silica and commercial Degussa P-25 samples were studied for the decolourization of methylene blue in aqueous medium. Silica embedded titania and silica were prepared using inexpensive polymeric version of ethyl silicate as a source of silica. Catalysts were characterized by X-ray diffraction, scanning electron microscopy, UV-Vis spectroscopy and low temperature (77 K) nitrogen adsorption measurements. Among all the catalysts, silica embedded titania has exhibited faster decolourization of methylene blue solution on account of the enhancement of adsorption followed by degradation. An amount of the catalyst and the initial dye concentration of MB solution were found to influence the decolourization activity. Compared to titania catalyst, silica embedded titania and Degussa P-25 have shown the red shift in their UV-Vis spectrum. The experimental data of the reaction fitted well to the pseudo first order kinetic model. In present studies, the adsorption mechanism for the decolourization of MB solution was found to be applicable for an intra particle diffusion model.

}, keywords = {Adsorption, kinetic model, Methylene blue, Photodegradation, Silica embedded titania}, issn = {0049-6979}, doi = {10.1007/s11270-013-1726-7}, author = {Sonar, Shilpa K. and Wagh, Reshma V. and Niphadkar, Prashant S. and Joshi, Praphulla N. and Deshpande, Shilpa S. and Awate, Shobhana V.} } @article {43230, title = {Enhanced field-emission behavior of layered MoS2 sheets}, journal = {Small}, volume = {9}, year = {2013}, month = {AUG}, pages = {2730-2734}, abstract = {Field emission studies are reported for the first time on layered MoS2 sheets at the base pressure of approximate to 1 x 10(-8) mbar. The turn-on field required to draw a field emission current density of 10 A/cm(2) is found to be 3.5 V/m for MoS2 sheets. The turn-on values are found to be significantly lower than the reported MoS2 nanoflowers, graphene, and carbon nanotube-based field emitters due to the high field enhancement factor (approximate to 1138) associated with nanometric sharp edges of MoS2 sheet emitter surface. The emission current-time plots show good stability over a period of 3 h. Owing to the low turn-on field and planar (sheetlike) structure, the MoS2 could be utilized for future vacuum microelectronics/nanoelectronic and flat panel display applications.}, doi = {10.1002/smll.201300002}, author = {Kashid, Ranjit V. and Late, Dattatray J. and Chou, Stanley S. and Huang, Yi-Kai and De, Mrinmoy and Joag, Dilip S. and More, Mahendra A. and Dravid, Vinayak P.} } @article { ISI:000320099400002, title = {Enzymatic degumming of silk with microbial proteases}, journal = {Journal of Natural Fibers}, volume = {10}, number = {2}, year = {2013}, month = {JAN}, pages = {98-111}, publisher = {TAYLOR \& FRANCIS INC}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {

Degumming of Chinese bivoltine silk with alkaline proteases from various microbial sources was investigated and compared with commercial enzymes. Among the proteases tested, two fungal and two actinomycete proteases were promising, which showed weight loss similar to conventional method (19.58\% to 21.78\%). Conidiobolus brefeldianus and BOA-2 proteases were best enzymes, which showed weight loss similar to conventional method with low enzyme concentrations and in shorter time. No significant differences were found in tensile strength or elongation at break by enzymatic degumming indicating that there was no damage to the fiber. Scanning electron micrographs showed the sericin deposits were removed and the fibers were separated.

}, keywords = {Alkaline Protease, bivoltine, degumming, microbial, Silk, weight loss}, issn = {1544-0478}, doi = {10.1080/15440478.2012.761114}, author = {More, Shivaji V. and Khandelwal, Harish B. and Joseph, M. A. and Laxman, Ryali Seeta} } @article { ISI:000327467000003, title = {Evolution and magnetic characteristics of NiO-Ni(OH)(2) core-shell nanostructures}, journal = {Physical Chemistry Chemical Physics}, volume = {15}, number = {48}, year = {2013}, month = {OCT}, pages = {20808-20812}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The evolution and magnetic behaviour of NiO-Ni(OH)(2) core-shell nanostructures with different thicknesses of the hydroxide shell have been studied. The nickel hydroxide shell is found to alter the magnetic characteristics of nickel oxide at low temperatures and explains the origin of the exchange bias effect due to the anti-ferromagnetic NiO core and a ferromagnetic nickel hydroxide shell.

}, issn = {1463-9076}, doi = {10.1039/c3cp53612b}, author = {Mahajan, Mangesh B. and Joy, Pattayil Alias} } @article { ISI:000316691100012, title = {Fluorescent sophorolipid molecular assembly and its magnetic nanoparticle loading: a pulsed laser process}, journal = {Green Chemistry}, volume = {15}, number = {4}, year = {2013}, month = {JAN}, pages = {943-953}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

We report realization of strong green fluorescence in a fully biocompatible highly spherical mesoscale molecular assembly of sophorolipid created by pulsed UV laser processing of a water-based dispersion of sophorolipid. Remarkably, the said fluorescence is totally absent in the original molecule of sophorolipid and is thus the property of the pulsed laser induced modifications in the molecule and the assembly. We have separately examined the consequences of laser irradiation for glucose and oleic acid components which form the sophorolipid. This fluorescence character appears to be driven by the oleic acid component while the assembly process is assisted by the glucose component. Importantly the laser synthesized mesostructures can be easily redispersed in an aqueous medium after being dried and can also be loaded with magnetic nanoparticles (magnetite) for inducing the hyperthermia effect.

}, issn = {1463-9262}, doi = {10.1039/c3gc40108a}, author = {Singh, Pradeep Kumar and Mukherji, Ruchira and Joshi-Navare, Kasturi and Banerjee, Abhik and Gokhale, Rohan and Nagane, Satyawan and Prabhune, Asmita and Ogale, Satishchandra} } @article { ISI: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:000321541600039, title = {Gas-liquid flow and mass transfer in an advanced-flow reactor}, journal = {Industrial \& Engineering Chemistry Research}, volume = {52}, number = {26}, year = {2013}, month = {JUL}, pages = {8996-9010}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Hydrodynamics and mass transfer of gas-liquid flow are explored under ambient conditions in an Advanced-Flow Reactor (AFR), an emerging commercial system designed for continuous manufacture. Carbon dioxide/water is the model system used in this study for a range of flow rates for gas and liquid of 5.6-103 mL/min and 10-80 mL/min, respectively. Bubble size distribution, gas holdup, specific interfacial area, pressure drop, and mass transfer coefficients are determined from flow visualization experiments and compared with conventional gas-liquid contactors. These variables are mainly influenced by the inlet flow rates and inlet composition. Average bubble sizes ((d) over bar (B)) of 0.9-3.8 mm, gas holdup (epsilon(G)) of 0.04-0.68, specific interfacial areas ((a) under bar) of 160-1300 m(2)/m(3), and overall mass transfer coefficients (k(L)(a) under bar) of 0.2-3 s(-1) were obtained for the vertical orientation of the AFR. Although effect of gravity is present for this system, no significant effect on the hydrodynamic properties was observed. The measured pressure drop for vertical orientation (3.6-53.4 kPa) was used to estimate power consumption, which is used as a metric to compare mass transfer efficiency among different gas-liquid contactors. A power law relationship was obtained for the overall mass transfer coefficients in terms of power input and gas holdup, given by kL (a) under bar = 0.101P(w)(0.443)epsilon(0.459)(G). The design of the AFR with a series of heart-shaped confined sections with obstacles enhances continuous breakup and coalescence of bubbles providing interfacial areas and mass transfer coefficients 1 order of magnitude larger than other gas-liquid contactors, such as bubble columns (50-600 m(2)/m(3); 0.005-0.24 s(-1)) and spray columns (75-170 m(2)/m(3); 0.015-0.022 s(-1)), and 1 order of magnitude smaller than gas-liquid microchannels (3400-9000 m(2)/m(3); 0.3-21 s(-1)) or falling film reactors (20,000 m(2)/m(3)).

}, issn = {0888-5885}, doi = {10.1021/ie4011707}, author = {Nieves-Remacha, Maria Jose and Kulkarni, Amol A. and Jensen, Klavs F.} } @article { ISI:000324099300024, title = {High magnetostriction coefficient of Mn substituted cobalt ferrite sintered from nanocrystalline powders and after magnetic field annealing}, journal = {Current Applied Physics}, volume = {13}, number = {8}, year = {2013}, month = {OCT}, pages = {1697-1701}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Magnetostriction characteristics of Mn substituted cobalt ferrite, CoFe2-xMnxO4 (0 \<= x \<= 0.3), sintered from nanocrystalline powders of average particle size of similar to 4 nm have been studied. Larger value of magnetostriction at lower magnetic field is achieved after substitution of Mn for Fe. The maximum value of magnetostriction coefficient is not much affected and the slope of the magnetostriction is increased with increasing Mn content. Higher maximum value of magnetostriction coefficient (lambda) of 234 ppm comparable to that of the unsubstituted composition with larger strain derivative (d lambda/dH) is obtained for x = 0.2 in CoFe2-xMnxO4. The magnetostriction coefficient is increased to 262 ppm with further enhancement in the strain derivative after annealing the sintered compact at 300 degrees C in a magnetic field of 400 kA/m for 30 min. (C) 2013 Elsevier B.V. All rights reserved.

}, keywords = {Cobalt ferrite, Magnetic field annealing, Magnetostriction, Mn substitution, Nanocrystalline}, issn = {1567-1739}, doi = {10.1016/j.cap.2013.06.030}, author = {Mohaideen, Kamal Khaja and Joy, Pattayil Alias} } @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:000327071100001, title = {Hollow nanogold/meso-magnetite composite: pulsed laser synthesis, properties, and biosensing application}, journal = {Journal of Nanoparticle Research}, volume = {15}, number = {12}, year = {2013}, month = {NOV}, pages = {Article No. UNSP 2081}, publisher = {SPRINGER}, type = {Article}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

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

}, keywords = {E. coli cells, Fe-complex, Meso-magnetite, Nanobiotechnology, Nanocomposite, Pulse laser irradiation}, issn = {1388-0764}, doi = {10.1007/s11051-013-2081-8}, author = {Chaudhari, Nilima and Warule, Sambhaji and Agrawal, Shailaja and Thakare, Vishal and Jouen, Samuel and Hannoyer, Beatrice and Kale, Bharat and Paknikar, Kishore and Ogale, Satishchandra B.} } @article { ISI:000327805400022, title = {Human mitochondrial NDUFS3 protein bearing leigh syndrome mutation is more prone to aggregation than its wild-type}, journal = {Biochimie}, volume = {95}, number = {12}, year = {2013}, month = {DEC}, pages = {2392-2403}, publisher = {ELSEVIER FRANCE-EDITIONS SCIENTIFIQUES MEDICALES ELSEVIER}, address = {23 RUE LINOIS, 75724 PARIS, FRANCE}, abstract = {

NDUFS3 is an integral subunit of the Q module of the mitochondrial respiratory Complex-I. The combined mutation (T145I + R199W) in the subunit is reported to cause optic atrophy and Leigh syndrome accompanied by severe Complex-I deficiency. In the present study, we have cloned and overexpressed the human NDUFS3 subunit and its double mutant in a soluble form in Escherichia coli. The wild-type (w-t) and mutant proteins were purified to homogeneity through a serial two-step chromatographic purification procedure of anion exchange followed by size exclusion chromatography. The integrity and purity of the purified proteins was confirmed by Western blot analysis and MALDI-TOF/TOF. The conformational transitions of the purified subunits were studied through steady state as well as time resolved fluorescence and CD spectroscopy under various denaturing conditions. The mutant protein showed altered polarity around tryptophan residues, changed quenching parameters and also noticeably altered secondary and tertiary structure compared to the w-t protein. Mutant also exhibited a higher tendency than the w-t protein for aggregation which was examined using fluorescent (Thioflavin-T) and spectroscopic (Congo red) dye binding techniques. The pH stability of the w-t and mutant proteins varied at extreme acidic pH and the molten globule like structure of w-t at pH1 was absent in case of the mutant protein. Both the w-t and mutant proteins showed multi-step thermal and Gdn-HCI induced unfolding. Thus, the results provide insight into the alterations of NDUFS3 protein structure caused by the mutations, affecting the overall integrity of the protein and finally leading to disruption of Complex-I assembly. (C) 2013 Elsevier Masson SAS. All rights reserved.

}, keywords = {Aggregation Fluorescence lifetime, Complex-I, Leigh syndrome, NDUFS3}, issn = {0300-9084}, doi = {10.1016/j.biochi.2013.08.032}, author = {Jaokar, Tulika M. and Patil, Deepak P. and Shouche, Yogesh S. and Gaikwad, Sushama M. and Suresh, C. G.} } @article { ISI:000314931900026, title = {In situ synthesis and surface functionalization of gold nanoparticles with curcumin and their antioxidant properties: an experimental and density functional theory investigation}, journal = {Nanoscale}, volume = {5}, number = {5}, year = {2013}, month = {DEC}, pages = {1882-1893}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Curcumin ((1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione) is an active component of turmeric; it is responsible for its characteristic yellow color and therapeutic potential, but its poor bioavailability remains a major challenge. In order to improve the bioavailability of curcumin, various approaches have been used. One of the possible approaches to increase the bioavailability of curcumin is its conjugation on the surface of metal nanoparticles. Therefore, in the present study, we report the binding of curcumin on the surface of gold nanoparticles (AuNPs). The AuNPs were synthesized by the direct reduction of HAuCl4 using curcumin in the aqueous phase, without the use of any other reducing agents. We found that curcumin acts both as a reducing and capping agent, stabilizing the gold sol for many months. Moreover, these curcumin-capped AuNPs also show good antioxidant activity which was confirmed by the DPPH (2,2-diphenyl-l-picrylhydrazyl) radical test. Thus, the surface functionalization of AuNPs with curcumin may pave a new way of using the curcuminoids towards possible drug delivery and therapeutics. Apart from the experimental study, a detailed quantum chemical calculation using density functional theory (DFT) has been performed, in order to investigate the formation of a complex of curcumin with Au3+ ions in different possible conformational isomeric forms. Our theoretical calculations indicate the evidence of electron transfer from curcumin into the Au center and essentially indicate that as a consequence of complexation, Au3+ ions are reduced to Au-0. Our theoretical results also propose that it is the breakage of intramolecular H-bonding that probably leads to the increased availability of curcumin in the presence of gold ions and water molecules.

}, issn = {2040-3364}, doi = {10.1039/c2nr33776b}, author = {Singh, Dheeraj K. and Jagannathan, Ramya and Khandelwal, Puneet and Abraham, Priya Mary and Poddar, Pankaj} } @article { ISI:000324311200017, title = {Influence of initial particle size on the magnetostriction of sintered cobalt ferrite derived from nanocrystalline powders}, journal = {Journal of Magnetism and Magnetic Materials}, volume = {346}, year = {2013}, month = {NOV}, pages = {96-102}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The role of initial particle size on the magnetostriction coefficient of sintered cobalt ferrite derived from nanocrystalline powders is studied. Nanoparticles of cobalt ferrite with different sizes in the range 3-80 nm are synthesized by an autocombustion method using metal nitrates and glycine. It has been observed that the initial particle size of the starting powders has a strong influence on the magnetostrictive behavior of sintered cobalt ferrite. Highest magnetostrictive strain and strain derivative are obtained for sintered ferrite derived from nanoparticles of size \< 5 nm. The results show that higher magnetostriction coefficient for sintered cobalt ferrite can be achieved by compacting nanocrystalline particles of very small size. (C) 2013 Elsevier B.V. All rights reserved.

}, keywords = {Cobalt ferrite, magnetic properties, Magnetostriction, Microstructure, Nanocrystalline, Particle size}, issn = {0304-8853}, doi = {10.1016/j.jmmm.2013.07.016}, author = {Mohaideen, Kamal Khaja and Joy, Pattayil Alias} } @article { ISI:000320235000008, title = {Insight into PdCl2(bipy) complex as an efficient catalyst for heck reaction and kinetic investigations in homogeneous medium}, journal = {Kinetics and Catalysis}, volume = {54}, number = {3}, year = {2013}, month = {MAY}, pages = {314-321}, publisher = {MAIK NAUKA/INTERPERIODICA/SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013-1578 USA}, abstract = {

PdCl2(bipy) complex (bipy = 2,2{\textquoteright}-bipyrydine) efficiently catalyzes the vinylation of aryl halides. The activity of this catalyst for the Heck reactionwas demonstrated for a variety of aryl halides and olefins in the presence of different organic and inorganic bases. The catalyst is stable under the reaction conditions and no degradation was observed. The kinetics of the Heck coupling of styrene with iodobenzene using the PdCl2(bipy) complex with potassium acetate as a base was studied over a temperature range of 393-413 K in 2-nitro-2-methyl-1-propanol medium. An empirical rate model has been proposed to fit the observed data and is found to be in good agreement with experimental results. The activation energy of the reactionwas found to be 98.70 kJ/mol.

}, issn = {0023-1584}, doi = {10.1134/S0023158413030051}, author = {Jagtap, Sangeeta Vijay and Deshpande, R. M.} } @article { ISI:000327090400009, title = {Lavandula gibsoni and plectranthus mollis essential oils: chemical analysis and insect control activities against aedes aegypti, anopheles sfttephensi and culex quinquefasciatus}, journal = {Journal of Pest Science}, volume = {86}, number = {4}, year = {2013}, month = {DEC}, pages = {713-718}, publisher = {SPRINGER HEIDELBERG}, address = {TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY}, abstract = {

Essential oils and acetone extracts from Lavandula gibsoni and Plectranthus mollis, family Lamiaceae, were investigated for their mosquito larvicidal activity against 4th instar larvae of Aedes aegypti, Anopheles stephensi and Culex quinquefasciatus. LC50 values against these three species were 48.3, 62.8 and 54.7 mg/L for L. gibsoni essential oil and 118.5, 137.2 and 128.1 mg/L, respectively, for its acetone extract, while LC50 values for P. mollis essential oil were 25.4, 33.5 and 29.5 mg/L and 195.0, 213.8 and 209.0 mg/L, respectively, for its acetone extract. Repellence of the essential oils was assessed against A. aegypti adults. L. gibsoni essential oil provided 100 \% protection for more than 7 h at a concentration of 2.0 mg/cm(2). Under the same conditions, the standard repellent N,N-diethyl-meta-toluamide, at 0.25 mg/cm(2), provided 100 \% protection for more than 8 h, while P. mollis essential oil was only weakly repellent. The major components from both essential oils were identified based on GC-MS analysis and linear retention indices. Our results demonstrated promising larvicidal activities of both essential oils against these mosquito species. L. gibsoni essential oil also showed promising repellent activity.

}, keywords = {Essential oil, Lavandula gibsoni, Mosquito larvicidal activity, Mosquito repellent, Plectranthus mollis}, issn = {1612-4758}, doi = {10.1007/s10340-013-0502-1}, author = {Kulkarni, Roshan R. and Pawar, Pushpa V. and Joseph, Mary P. and Akulwad, Ambadas K. and Sen, Avalokiteswar and Joshi, Swati P.} } @article { ISI:000322432600012, title = {Magnetically separable single-site Ti-Fe3O4@MCM-41 catalyst for selective epoxidation of olefins}, journal = {Industrial \& Engineering Chemistry Research}, volume = {52}, number = {29}, year = {2013}, month = {JUL}, pages = {9803-9811}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Magnetically separable Ti-Fe3O4@MCM-41 (Ti-MS) catalysts were prepared by postgrafting Ti with varying loading on mesoporous silica containing dispersed magnetite. The hexagonal structure of Ti-MS catalysts with a periodicity in the pores and a highly ordered hexagonal matrix was established by X-ray diffraction and transmission electron microscopy, while diffuse reflectance UV showed the isolated tetrahedral Ti species coordinated with O2-. From the Fourier transform infrared studies, the extent of Ti-O-Si linkage was found to increase with increase in Ti-loading from 1 to 5 wt \%beyond which (10\%), the intensity of Ti-O-Si band decreased due to the polymerization of the Ti on the silica surface. Silanol groups on the surface of silica interact with the precursor Ti((OPr)-Pr-i)(4) to give site isolated tetrahedral Ti-species responsible for complete selectivity to the epoxide in the epoxidation of cyclooctene. The magnetic property facilitated easy recovery of the catalyst for its successful eight recycles showing its stability under reaction conditions.

}, issn = {0888-5885}, doi = {10.1021/ie4013248}, author = {Jha, Ajay and Patil, Chetana R. and Garade, Ajit C. and Rode, Chandrashekhar V.} } @article { ISI:000317945100020, title = {Metal cation-exchanged montmorillonite clay as catalysts for hydroxyalkylation reaction}, journal = {Applied Clay Science}, volume = {74}, number = {SI}, year = {2013}, month = {APR}, pages = {141-146}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Several solid acid catalysts were prepared by exchanging metal cations such as Zn2+, Fe3+ and Al3+ with montmorillonite clay. Among these, Al-montmorillonite showed the highest acidity determined by the pyridine-IR as well as NH3-TPD methods. A systematic comparison of the performance of these catalysts along with parent montmorillonite was carried out for the hydroxyalkylation of p-cresol with formaldehyde to give 2, 2{\textquoteright}-methylenebis (4-methyl phenol) (DAM). It was found that the activity of these catalysts was in accordance with the increase in acidity of parent montmorillonite after the exchange of cations in the order of Zn2+, Fe3+ and Al3+. The selectivity pattern was also influenced by the exchanged cations. Since Al-montmorillonite showed the highest conversion of 51\% with 98\% selectivity to DAM, the effects of various reaction parameters, namely, mole ratio, catalyst concentration, temperature, reaction time on conversion and selectivity pattern were also studied using the same catalyst This catalyst also showed an excellent stability as evidenced by its eight times reuse. (C) 2012 Published by Elsevier B.V.

}, keywords = {Cations-exchanged clay, Montmorillonite, NH3-TPD, Pyridine-IR}, issn = {0169-1317}, doi = {10.1016/j.clay.2012.10.005}, author = {Jha, Ajay and Garade, Ajit C. and Shirai, M. and Rode, C. V.} } @article { ISI: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:000319458900005, title = {Modified zeolite immobilized palladium for ligand-free suzuki-miyaura cross-coupling reaction}, journal = {Journal of Organometallic Chemistry}, volume = {738}, year = {2013}, month = {AUG}, pages = {29-34}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

A palladium-based catalyst supported on modified ZSM-5 was successfully prepared by a facile procedure. The prepared heterogeneous catalyst Pd@desilicated ZSM-5 showed an excellent catalytic activity at very low Pd loading (0.02 mol\%) for the ligand-free Suzuki-Miyaura coupling reactions of various aryl bromides affording excellent yields of the products. The prepared catalyst presents good recyclability, over four catalytic cycles. (C) 2013 Elsevier B. V. All rights reserved.

}, keywords = {heterogeneous catalysis, Suzuki-Miyaura reaction, zeolite}, issn = {0022-328X}, doi = {10.1016/j.jorganchem.2013.03.031}, author = {Kumbhar, Arjun and Kamble, Santosh and Mane, Anand and Jha, Ratnesh Kumar and Salunkhe, Rajashri} } @article { ISI:000319221500007, title = {Molecular dynamics simulation studies of the structural response of an isolated A beta(1-42) monomer localized in the vicinity of the hydrophilic TiO2 surface}, journal = {European Biophysics Journal}, volume = {42}, number = {6}, year = {2013}, month = {JUN}, pages = {487-494}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

We have probed the effect of a model hydrophilic surface, rutile TiO2, on the full-length amyloid beta (A beta(1-42)) monomer using molecular dynamics simulations. The rutile surface brings about sharp changes in the peptide{\textquoteright}s intrinsic behavior in a distance-dependent manner. The intrinsic collapse of the peptide is disrupted, while the beta-sheet propensity is sharply enhanced with increased proximity to the surface. The results may have implications for A beta self-assembly and fibrillogenesis on hydrophilic surfaces and should be taken into consideration in the design of novel nanomaterials for perturbing amyloidogenic behavior.

}, keywords = {Amyloid beta, beta-Sheet propensity, molecular dynamics simulation, TiO2 rutile surface}, issn = {0175-7571}, doi = {10.1007/s00249-013-0900-6}, author = {Jose, Jaya C. and Sengupta, Neelanjana} } @article { ISI:000319720700012, title = {Molecular-beacon-based screen for small molecule inhibitors of miRNA maturation}, journal = {ACS Chemical Biology}, volume = {8}, number = {5}, year = {2013}, month = {MAY}, pages = {930-938}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

miRNAs are small non-coding RNAs that regulate about 60\% of mammalian genes by modulating their transcript levels. Network scale studies of miRNA-mediated regulatory circuits demonstrate the central importance of this class of small RNA in the maintenance of biological robustness. More recently, several reports have described the deregulation of numerous miRNA to be causally associated with many diseases, including cancer. These studies have highlighted the potential for development of therapeutic modalities against miRNA. Previous screening protocols, for small molecules targeting miRNA function, are either costly or technically too complex to be applied in a high-throughput manner in standard chemical laboratories. We describe a simple in vitro screening method using a DNA-based molecular beacon that overcomes the limitations associated with earlier screens. We used this method to identify inhibitors of miR-27a function from a library of 14 aminoglycosides as a pilot study. Inhibitory molecules identified were further scrutinized to identify the validity of screen. With this proof of concept we illustrate the utility of a scalable molecular-beacon-based screening strategy for miRNA inhibitors.

}, issn = {1554-8929}, doi = {10.1021/cb300650y}, author = {Bose, Debojit and Jayaraj, Gopal Gunanathan and Kumar, Santosh and Maiti, Souvik} } @article { ISI:000318320300033, title = {Multipole moments using extended coupled cluster method}, journal = {Chemical Physics Letters}, volume = {568}, year = {2013}, month = {MAY}, pages = {170-175}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Using analytic extended coupled cluster (ECC) response approach quadrupole moments, dipole-quadrupole polarizabilities and dipole polarizabilities are studied. In the current implementation of the functional we have included all the double linked terms within (CCSD) approximation. These terms will be important for the accurate description of properties at the stretched geometries. We report the properties for carbon monoxide and hydrogen fluoride molecules, as a function of bond distance and compare our results for carbon monoxide with the full Cl results. We have also reported the properties of methane, tetrafluoromethane, acetylene, difluoroacetylene, water and ammonia. (C) 2013 Elsevier B.V. All rights reserved.

}, issn = {0009-2614}, doi = {10.1016/j.cplett.2013.03.013}, author = {Joshi, Sayali P. and Vaval, Nayana} } @article { ISI:000323475400001, title = {New 2,2-diphenylpropane and ethoxylated aromatic monoterpenes from Lavandula gibsoni (Lamiaceae)}, journal = {Natural Product Research}, volume = {27}, number = {15}, year = {2013}, month = {AUG}, pages = {1323-1329}, publisher = {TAYLOR \& FRANCIS LTD}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {

A new substituted 2,2-diphenylpropane (1) and two new ethoxylated aromatic monoterpene alcohols (2 and 4) have been isolated from the acetone extract of the aerial parts of Lavandula gibsoni, along with the known compounds 8-hydroxycarvacrol (3), 8-hydroxythymol (5), coumarin (6), 4-methylresorcinol (7), 7,4-dimethylapigenin (8), salvigenin (9), -sitosteryl-3-O{\textendash}D-glucopyranosyl-6-O-palmitate (10) and euscaphic acid D (11). The structures of the isolated compounds were assigned on the basis of their H-1- and C-13-NMR spectra and two-dimensional NMR techniques, which included COSY, HSQC, HMBC and NOESY experiments and comparison with the reported literature.

}, keywords = {2, 2-diphenylpropane, aromatic monoterpene alcohols, Lamiaceae, Lavandula gibsoni}, issn = {1478-6419}, doi = {10.1080/14786419.2012.738203}, author = {Kulkarni, Roshan R. and Joshi, Swati P.} } @article { ISI:000326465600015, title = {New dipyranocoumarin from the leaves of calophyllum apetalum willd}, journal = {Natural Product Research}, volume = {27}, number = {20}, year = {2013}, month = {OCT}, pages = {1896-1901}, publisher = {TAYLOR \& FRANCIS LTD}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {

A new dipyranocoumarin, -hydroxytomentolide A (1) was isolated from the leaves of Calophyllum apetalum together with the known compounds friedelin (2), apetalactone (3), inophyllum C (4) and canophyllol (5). The structure of the new compound was established by spectroscopic studies which include H-1 NMR, C-13 NMR, NOESY, HetCOSY, COLOC experiments and single crystal X-ray diffraction analysis.

}, keywords = {-hydroxytomentolide A, Calophyllum apetalum, dipyranocoumarins, Guttiferae, Triterpenoids}, issn = {1478-6419}, doi = {10.1080/14786419.2013.784869}, author = {Joshi, Swati P. and Kulkarni, Smita R. and Phalgune, Usha D. and Puranik, Vedavati G.} } @article { ISI:000324909200005, title = {Nitrite reductase NirBD is induced and plays an important role during in vitro dormancy of mycobacterium tuberculosis}, journal = {Journal of Bacteriology}, volume = {195}, number = {20}, year = {2013}, month = {OCT}, pages = {4592-4599}, publisher = {AMER SOC MICROBIOLOGY}, address = {1752 N ST NW, WASHINGTON, DC 20036-2904 USA}, abstract = {

Mycobacterium tuberculosis is one of the strongest reducers of nitrate among all mycobacteria. Reduction of nitrate to nitrite, mediated by nitrate reductase (NarGHJI) of M. tuberculosis, is induced during the dormant stage, and the enzyme has a respiratory function in the absence of oxygen. Nitrite reductase (NirBD) is also functional during aerobic growth when nitrite is the sole nitrogen source. However, the role of NirBD-mediated nitrite reduction during the dormancy is not yet characterized. Here, we analyzed nitrite reduction during aerobic growth as well as in a hypoxic dormancy model of M. tuberculosis in vitro. When nitrite was used as the sole nitrogen source in the medium, the organism grew and the reduction of nitrite was evident in both hypoxic and aerobic cultures of M. tuberculosis. Remarkably, the hypoxic culture of M. tuberculosis, compared to the aerobic culture, showed 32- and 4-fold-increased expression of nitrite reductase (NirBD) at the transcription and protein levels, respectively. More importantly, a nirBD mutant of M. tuberculosis was unable to reduce nitrite and compared to the wild-type (WT) strain had a \>2-log reduction in viability after 240 h in the Wayne model of hypoxic dormancy. Dependence of M. tuberculosis on nitrite reductase (NirBD) was also seen in a human macrophage-based dormancy model where the nirBD mutant was impaired for survival compared to the WT strain. Overall, the increased expression and essentiality of nitrite reductase in the in vitro dormancy models suggested that NirBD-mediated nitrite reduction could be critical during the persistent stage of M. tuberculosis.

}, issn = {0021-9193}, doi = {10.1128/JB.00698-13}, author = {Akhtar, Shamim and Khan, Arshad and Sohaskey, Charles D. and Jagannath, Chinnaswamy and Sarkar, Dhiman} } @article {43364, title = {Novel green bio-milling technique for the synthesis of BaTiO3 nanoparticle using Saccharomyces cerevisiae}, journal = {International Journal of Innovative Biological Research}, volume = {2}, year = {2013}, month = {JAN}, pages = {1-5}, abstract = {The development of a novel green top-down approach called bio-milling for synthesizing the oxide nanomaterials is an issue of topical interest. While a number of chemical processes are energy intensive and involve toxic chemicals. Here we report, at room temperature, bio-milling of chemically synthesized barium titinate (BaTiO3) particles by challenging the fungus Saccharomyces cerevisiae against aqueous solution of BaTiO3 to synthesize the biogenic nanoparticles. The extracellular breaking of microscaled BaTiO3 particles by extracellular biomolecules/proteins secreted by the fungus under stressed condition results in the formation of particles in nanoregime. XRD spectra and TEM analysis showed that BaTiO3 particles reduce to their size during the interaction with the fungus Saccharomyces cerevisiae and maintaining their phase and crystallinity after bio-milling process.}, author = {Uddin, Imran and Jaiswal, Adhish and Poddar, Pankaj} } @article { ISI:000323761100009, title = {Novel mechanism for antiglycative action of limonene through stabilization of protein conformation}, journal = {Molecular Biosystems}, volume = {9}, number = {10}, year = {2013}, month = {JUN}, pages = {2463-2472}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Inhibition of protein glycation is known to ameliorate secondary complications in diabetes. In the present study antiglycative properties of limonene, a natural product, were evaluated using BSA as a model protein. AMG (aminoguanidine) was used as a positive control. Measurement of total AGEs (Advanced Glycation End-products) and specific AGEs revealed that limonene could inhibit protein glycation to the extent of 56.3\% and 75.1\% respectively at 50 mu M concentration as against 54.4\% and 82.2\% by AMG at 1 mM. Congo red binding and CD (Circular Dichroism) analysis revealed inhibition of alpha-helix to beta-sheet transition wherein 18.5\% beta-sheet structures were observed in glycated BSA (bovine serum albumin) as against 4.9\% with limonene. Glycation of protein in the presence of urea was enhanced by 18\%, while in the presence of limonene it was reduced by 23\% revealing the stabilizing effect of limonene. Electrophoretic mobility was similar to the normal control and a zeta potential value of -12.1 mV as against -15.1 mV in diabetic control was observed. Inhibition of glycation in limonene treated samples was confirmed through LC-MS analysis wherein AGEs such as pentosidine, CML (N-epsilon-(carboxymethyl)lysine), CEL (N-epsilon-(carboxyethyl) lysine), MOLD (methylglyoxal-lysine dimer) and imidazolone observed in glycated samples were absent in limonene treated samples. PatchDock studies revealed that limonene could bind to the major glycation sites IB, IIA and IIB sub domains and AMG to the IIIA sub domain. Thus limonene is a potent protein glycation inhibitor that prevents protein glycation through a novel mechanism of stabilization of protein structure through hydrophobic interactions.

}, issn = {1742-206X}, doi = {10.1039/c3mb00020f}, author = {Joglekar, Madhav M. and Panaskar, Shrimant N. and Chougale, Ashok D. and Kulkarni, Mahesh J. and Arvindekar, Akalpita U.} } @article { ISI:000319647600012, title = {Orientation of the beta-hydroxyl group controls the diastereoselectivity during the hydride reduction and grignard reaction of inososes}, journal = {Tetrahedron}, volume = {69}, number = {25}, year = {2013}, month = {JUN}, pages = {5144-5151}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A comparison of the results of the Grignard reaction and the hydride reduction of the carbonyl group of epi- and scyllo-inososes reveals that the extent of diastereoselectivity of these reactions is decided by the orientation of the beta-hydroxyl group (or its derivative). Presence of an axial beta-hydroxyl group generally results in the formation of relatively larger amount of the axial alcohol as a result of the reduction of the carbonyl group. The possible reasons for the observed differences in diastereoselectivity between the reactions of these isomeric epi- and scyllo-inososes have been discussed. The sequence of reactions reported here provides convenient access to C-allcylated inositols, such as iso-laminitol and iso-mytilitol as well as 2-O-methyl epi-inositol, an epimer of the naturally occurring ononitol. (C) 2013 Elsevier Ltd. All rights reserved.

}, keywords = {Cyclitol, diastereoselectivity, Grignard, Inositol, Nucleophile, reduction}, issn = {0040-4020}, doi = {10.1016/j.tet.2013.04.081}, author = {Jagdhane, Rajendra C. and Patil, Madhuri T. and Krishnaswamy, Shobhana and Shashidhar, Mysore S.} } @article { ISI:000324098200003, title = {Porous Co3O4 nanorods as superior electrode material for supercapacitors and rechargeable Li-ion batteries}, journal = {Journal of Applied Electrochemistry}, volume = {43}, number = {10}, year = {2013}, month = {OCT}, pages = {995-1003}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

Porous aggregated nanorods of Co3O4 with a surface area of similar to 100 m(2) g(-1) synthesized without using any templates or surfactants give very high specific capacitance of similar to 780 F g(-1) when used as electrode in a faradaic supercapacitor, with a cycle life of more than 1,000 cycles. Further, in Li-ion batteries when used as an anode, the Co3O4 nanorods achieved a capacity of 1155 mA h g(-1) in the first cycle and upon further cycling it is stabilized at 820 mA h g(-1) for more than 25 cycles. Detailed characterization indicated the stability of the material and the improved performance is attributed to the shorter Li-insertion/desertion pathways offered by the highly porous nanostructures. The environmentally benign and easily scalable method of synthesis of the porous Co3O4 nanorods coupled with the superior electrode characteristics in supercapacitors and Li-ion batteries provide efficient energy storage capabilities with promising applications.

}, keywords = {Cobalt oxide, Electrode materials, Li-ion battery, Porous nanostructures, supercapacitor}, issn = {0021-891X}, doi = {10.1007/s10800-013-0593-7}, author = {Vijayanand, S. and Kannan, Ramaiyan and Potdar, H. S. and Pillai, V. K. and Joy, Pattayil Alias} } @article { ISI:000315751600033, title = {Probing interaction of Gram-positive and Gram-negative bacterial cells with ZnO nanorods}, journal = {Materials Science \& Engineering C-Materials for Biological Applications}, volume = {33}, number = {3}, year = {2013}, month = {APR}, pages = {1247-1253}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

In the present work, the physiological effects of the ZnO nanorods on the Gram positive (Staphylococcus aureus and Bacillus subtilis) and Gram-negative (Escherichia coli and Aerobacter aerogenes) bacterial cells have been studied. The analysis of bacterial growth curves for various concentrations of ZnO nanorods indicates that Gram positive and Gram negative bacterial cells show inhibition at concentrations of similar to 64 and similar to 256 mu g/mL respectively. The marked difference in susceptibility towards nanorods was also validated by spread plate and disk diffusion methods. In addition, the scanning electron micrographs show a clear damage to the cells via changed morphology of the cells from rod to coccoid etc. The confocal optical microscopy images of these cells also demonstrate the reduction in live cell count in the presence of ZnO nanorods. These, results clearly indicate that the antibacterial activity of ZnO nanorods is higher towards Gram positive bacterium than Gram negative bacterium which indicates that the structure of the cell wall might play a major role in the interaction with nanostructured materials and shows high sensitivity to the particle concentration. (C) 2012 Elsevier B.V. All rights reserved.

}, keywords = {Confocal, Growth curve, Nanorods, SEM, Zeta potential, ZnO}, issn = {0928-4931}, doi = {10.1016/j.msec.2012.12.019}, author = {Jain, Aanchal and Bhargava, Richa and Poddar, Pankaj} } @article { ISI:000328231600014, title = {Proline-catalyzed asymmetric synthesis of syn- and anti-1,3-diamines}, journal = {Journal of Organic Chemistry}, volume = {78}, number = {23}, year = {2013}, month = {DEC}, pages = {11756-11764}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A general organocatalytic strategy for asymmetric synthesis of both syn/anti-1,3-diamines has been developed. The strategy employs proline-catalyzed sequential alpha-amination and Horner-Wadsworth-Emmons (HWE) olefination of aldehydes as the key step where syn-1,3-diamine was obtained as the most favorable product.

}, issn = {0022-3263}, doi = {10.1021/jo401722e}, author = {Kumar, Pradeep and Jha, Vishwajeet and Gonnade, Rajesh G.} } @article { ISI:000325608800002, title = {Proteome wide reduction in AGE modification in streptozotocin induced diabetic mice by hydralazine mediated transglycation}, journal = {Scientific Reports}, volume = {3}, year = {2013}, month = {OCT}, pages = {2941}, publisher = {NATURE PUBLISHING GROUP}, address = {MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND}, abstract = {

The non-enzymatic reaction between glucose and protein can be chemically reversed by transglycation. Here we report the transglycation activity of hydralazine using a newly developed MALDI-TOF-MS based assay. Hydralazine mediated transglycation of HbA1c, plasma proteins and kidney proteins was demonstrated in streptozotocin (STZ) induced diabetic mice, as evidenced by decrease in protein glycation, as well as presence of hydralazine-glucose conjugate in urine of diabetic mice treated with hydralazine. Hydralazine down regulated the expression of Receptor for Advanced Glycation End products (RAGE), NADPH oxidase (NOX), and super oxide dismutase (SOD). These findings will provide a new dimension for developing intervention strategies for the treatment of glycation associated diseases such as diabetes complications, atherosclerosis, and aging.

}, issn = {2045-2322}, doi = {10.1038/srep02941}, author = {Kesavan, Suresh K. and Bhat, Shweta and Golegaonkar, Sandeep B. and Jagadeeshaprasad, Mashanipalya G. and Deshmukh, Arati B. and Patil, Harshal S. and Bhosale, Santosh D. and Shaikh, Mahemud L. and Thulasiram, Hirekodathakallu V. and Boppana, Ramanamurthy and Kulkarni, Mahesh J.} } @article { ISI:000313557600018, title = {Proteomic analysis of protease resistant proteins in the diabetic rat kidney}, journal = {Molecular \& Cellular Proteomics}, volume = {12}, number = {1}, year = {2013}, month = {JAN}, pages = {228-236}, publisher = {AMER SOC BIOCHEMISTRY MOLECULAR BIOLOGY INC}, address = {9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3996 USA}, abstract = {

Glycation induced protein aggregation has been implicated in the development of diabetic complications and neurodegenerative diseases. These aggregates are known to be resistant to proteolytic digestion. Here we report the identification of protease resistant proteins from the streptozotocin induced diabetic rat kidney, which included enzymes in glucose metabolism and stress response proteins. These protease resistant proteins were characterized to be advanced glycation end products modified and ubiquitinated by immunological and mass spectrometry analysis. Further, diabetic rat kidney exhibited significantly impaired proteasomal activity. The functional analysis of identified physiologically important enzymes showed that their activity was reduced in diabetic condition. Loss of functional activity of these proteins was compensated by enhanced gene expression. Aggregation prone regions were predicted by in silico analysis and compared with advanced glycation end products modification sites. These findings suggested that the accumulation of protein aggregates is an inevitable consequence of impaired proteasomal activity and protease resistance due to advanced glycation end products modification. Molecular \& Cellular Proteomics 12: 10.1074/mcp.M112.020651, 228-236, 2013.

}, issn = {1535-9476}, doi = {10.1074/mcp.M112.020651}, author = {Bansode, Sneha B. and Chougale, Ashok D. and Joshi, Rakesh S. and Giri, Ashok P. and Bodhankar, Subhash L. and Harsulkar, Abhay M. and Kulkarni, Mahesh J.} } @article { ISI: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 {42493, title = {Self-assembly of modified rhodamine-6G with tri-block copolymer: unusual vesicles formation, pH sensing and dye release properties}, journal = {Journal of Materials Chemistry B}, volume = {1}, year = {2013}, month = {DEC}, pages = {1150-1155}, abstract = {

A new rhodamine-6G derivative having a C18-alkyl chain self-assembles with an amphiphilic tri-block copolymer and forms stable vesicles in water or in water{\textendash}ethanol (4 : 1, v/v) medium. The stability of the spirolactam form of the rhodamine-6G derivative in these vesicular structures, along with studies of controlled dye release and pH sensing are discussed. Transmission electron micrographs and DLS analyses confirm the formation of vesicular structures. Atomic force microscopy (AFM) images show that the self assembled tri-block copolymer-octadecyl rhodamine vesicles form near spherical nanostructures with a size ranging from 80 to 110 nm. Furthermore, the vesicular system is disassembled under acidic conditions, releasing the cargo which are an integral part of the vesicle. Dye-release studies showed that the release rates of the loaded dye in the vesicles could be well-controlled as a function of the media pH. These results offer an opportunity to use these nanovesicles as imaging reagents for probing media pH with their simultaneous use as nanocarriers for intracellular drug delivery.

}, doi = {10.1039/C2TB00193D}, author = {Praveen, L. and Saha, Sukdeb and Jewrajka, Suresh K. and Das, Amitava} } @article { ISI:000318142300022, title = {Solution and in silico studies on the recombinant lectin from Cicer arietinum seeds}, journal = {International Journal of Biological Macromolecules}, volume = {56}, year = {2013}, month = {MAY}, pages = {149-155}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The Cicer arietinum seed lectin was cloned and expressed in Escherichia coli and purified in active form. Conformational characterization of the recombinant lectin (rCAL) was performed using biophysical and bioinformatics tools. Thermal denaturation of rCAL caused rapid secondary structural rearrangements above 50 degrees C and transient exposure of hydrophobic residues at 55 degrees C, leading to aggregation. Treatment of rCAL with GdnHCl resulted in unfolding followed by dissociation of the dimer. The single tryptophan in rCAL present on the surface of the protein is surrounded by hydrophobic and acidic amino acids and exists as different conformers. The experimental observations correlated well with the structural information revealed from the homology model of rCAL. (C) 2013 Elsevier B.V. All rights reserved.

}, keywords = {Aggregation, BL21-CodonPlus (DE3)-RIL cells, Cicer lectin, Homology model, Steady-state and time resolved fluorescence, Unfolding}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2013.02.015}, author = {Wakankar, Madhurima S. and Krishnasastry, Musti V. and Jaokar, Tulika M. and Patel, Krunal A. and Gaikwad, Sushama M.} } @article { ISI:000313591300016, title = {Static and dynamic magnetic properties and interplay of Dy3+, Gd3+ and Mn3+ spins in orthorhombic DyMnO3 and GdMnO3 nanoparticles}, journal = {Journal of Physics D-Applied Physics}, volume = {46}, number = {4}, year = {2013}, month = {JAN}, pages = {045301}, publisher = {IOP PUBLISHING LTD}, address = {TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND}, abstract = {

Single-phase orthorhombic DyMnO3 and GdMnO3 nanoparticles in the size range 60-70 and 35-45 nm, respectively, were synthesized using a modified hydrothermal method. The magnetic property measurements of DyMnO3 nanocrystals show anomalies around similar to 43K (antiferromagnetic (AFM) coupling between Mn3+ spins) and at 7K in the form of a peak in the zero-field-cooled curve (AFM coupling between Dy3+ spins). Whereas, GdMnO3 undergoes a phase transition at similar to 42K from paramagnetic to an incommensurate-antiferromagnetic phase (ICAFM) followed by a second anomaly at similar to 22 K, which could be associated with the transition from ICAFM into a canted A-type AFM ordering of the Mn3+ spins. This transition is followed by a long-range ordering of the Gd3+ moments at 6K yielding the canting of the Gd3+ spins with a ferromagnetic (FM) component antiparallel to the FM moment of the canted Mn3+ spins. No anomaly near the Neel temperature of the Mn moments for both DyMnO3 and GdMnO3 nanoparticles was observed in ac magnetization which were observed in dc magnetization. The room temperature Raman spectra of DyMnO3 shows two most intense Raman modes at 480 and 609 cm(-1) which can be assigned to an antisymmetric Jahn-Teller stretching mode and a symmetric or breathing stretching mode, respectively, involving Mn-O bond stretching.

}, issn = {0022-3727}, doi = {10.1088/0022-3727/46/4/045301}, author = {Das, Raja and Jaiswal, Adhish and Poddar, Pankaj} } @article { ISI:000314376100032, title = {Structural-functional insights of single and multi-domain capsicum annuum protease inhibitors}, journal = {Biochemical and Biophysical Research Communications}, volume = {430}, number = {3}, year = {2013}, month = {JAN}, pages = {1060-1065}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

Pin-II protease inhibitors (PIs) are the focus of research interest because of their large structural-functional diversity and relevance in plant defense. Two representative Capsicum annuum PI genes (CanPI-15 and -7) comprising one and four inhibitory repeat domains, respectively, were expressed and recombinant proteins were characterized. beta-Sheet and unordered structure was found predominant in CanPI-15 while -7 also displayed the signatures of polyproline fold, as revealed by circular dichroism studies. Inhibition kinetics against bovine typsin indicated three times higher potency of CanPI-7 (K-i similar to 57 mu M) than -15 (similar to 184 mu M). Activity and structural stability of these CanPIs were revealed under various conditions of pH, temperature and denaturing agent. Structure prediction, docking studies with proteases and mass spectroscopy revealed the organization of multiple reactive site loops of multi domain PIs in space as well as the steric hindrances imposed while binding to proteases due to their close proximity. (C) 2012 Elsevier Inc. All rights reserved.

}, keywords = {CanPI, Circular dichroism, Disulfide bonding, Potato type-II protease inhibitors, Protein stability}, issn = {0006-291X}, doi = {10.1016/j.bbrc.2012.12.038}, author = {Mishra, Manasi and Joshi, Rakesh S. and Gaikwad, Sushama M. and Gupta, Vidya S. and Giri, Ashok P.} } @article { ISI:000327521300003, title = {Superior field emission properties of layered WS2-RGO nanocomposites}, journal = {Scientific Reports}, volume = {3}, year = {2013}, month = {NOV}, pages = {3282}, publisher = {NATURE PUBLISHING GROUP}, address = {MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND}, abstract = {

We report here the field emission studies of a layered WS2-RGO composite at the base pressure of similar to 1 x 10(-8) mbar. The turn on field required to draw a field emission current density of 1 mu A/cm(2) is found to be 3.5, 2.3 and 2 V/mu m for WS2, RGO and the WS2-RGO composite respectively. The enhanced field emission behavior observed for the WS2-RGO nanocomposite is attributed to a high field enhancement factor of 2978, which is associated with the surface protrusions of the single-to-few layer thick sheets of the nanocomposite. The highest current density of similar to 800 mu A/cm(2) is drawn at an applied field of 4.1 V/mu m from a few layers of the WS2-RGO nanocomposite. Furthermore, first-principles density functional calculations suggest that the enhanced field emission may also be due to an overalp of the electronic structures of WS2 and RGO, where graphene-like states are dumped in the region of the WS2 fundamental gap.

}, issn = {2045-2322}, doi = {10.1038/srep03282}, author = {Rout, Chandra Sekhar and Joshi, Padmashree D. and Kashid, Ranjit V. and Joag, Dilip S. and More, Mahendra A. and Simbeck, Adam J. and Washington, Morris and Nayak, Saroj K. and Late, Dattatray J.} } @article { ISI:000325442600098, title = {Supplementation of medium with diammonium hydrogen phosphate enhanced the D-lactate dehydrogenase levels leading to increased D-lactic acid productivity}, journal = {Bioresource Technology}, volume = {146}, year = {2013}, month = {OCT}, pages = {736-739}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

The production of D-lactic acid by Lactobacillus lactis RM2-24 was investigated using modified media to increase the efficiency of the fermentation process. The results indicated that the addition of 5 g/l peptone and 1 g/l (NH4)(2)HPO4 enhanced D-lactic acid production by 32\%, as compared to that obtained from non supplemented media, with a productivity of 3.0 g/l/h. Lactate dehydrogenase (LDH) expression profile in these different media was studied which resulted in appearance of additional LDH isoform produced by cells when they were grown in HSYE supplemented with (NH4)(2)HPO4. The additional LDH appears to be L-LDH contributing to production of L-lactic acid in the fermented broth. This is totally new information in the lactic acid fermentation and could be very useful to industries engaged in D-lactic acid production. (c) 2013 Elsevier Ltd. All rights reserved.

}, keywords = {D(-) lactic acid production, Lactate dehydrogenase, Lactobacillus delbrueckii Uc-3, Lactobacillus lactis RM2-24}, issn = {0960-8524}, doi = {10.1016/j.biortech.2013.07.057}, author = {Singhvi, Mamata and Jadhav, Akanksha and Gokhale, Digambar V.} } @article { ISI:000313513400048, title = {Surface chemistry and growth mechanism of highly oriented, single crystalline TiO2 nanorods on transparent conducting oxide coated glass substrates}, journal = {RSC Advances}, volume = {3}, number = {6}, year = {2013}, month = {NOV}, pages = {1933-1940}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The fabrication of one-dimensional (1D) rods or wires of titania in desired crystalline facets is quite exciting due to unique optoelectronic properties. The single crystalline, oriented nanorods directly grown on transparent conducting oxide (TCO) substrates are finding a lot of interest in solar photovoltaics and several other optoelectronic devices due to enhanced electron transport and lower exciton recombination rates. However, the growth of desired crystalline facets of highly oriented, single crystalline nanorods on different substrates and understanding the interplay between the surface chemistry and growth mechanism still remain a non-trivial and challenging task. Here, for the first time, the kinetically controlled growth of the (310) facet of TiO2 nanorods on fluorine-doped tin oxide (FTO) coated glass substrate has been reported which is in contrast to the previously reported (002) faceted TiO2 nanorods. In addition to this, the growth of (110) facet TiO2 nanorods using amorphous fluorine doped silicon oxide (FSO) as a substrate is also demonstrated. In this paper, it is shown that two different faceted TiO2 nanorods can be synthesized following same synthetic condition by varying only the material properties of the substrate. To investigate the role of substrate chemistry on the morphology and single crystallinity of TiO2 nanorods, electron microscopy, XPS and contact angle measurements have been done. The results clearly indicate an important link between the surface chemistry and morphology of TiO2 nanorods. It can be assumed that there is a role of OH- and water groups which are responsible for the growth of plane (110) which has less surface energy. The observation of (310) facet is quite surprising and can be explained based on FTO crystallinity. It is possible to tune the diameter of the titania nanorods by further coating the FTO substrate with a thin gold layer due to increase in the hydrophilicity of the substrate. Finally, a light to electricity conversion efficiency of 2.5\% could be achieved by using vertically grown titania nanorods on FTO as the photoanode in a dye sensitized solar cell (DSSC).

}, issn = {2046-2069}, doi = {10.1039/c2ra21516k}, author = {Sadhu, Subha and Jaiswal, Adhish and Adyanthaya, Suguna D. and Poddar, Pankaj} } @article { ISI:000328443300015, title = {Surface induced collapse of A beta(1-42) with the F19A replacement following adsorption on a single walled carbon nanotube}, journal = {Biophysical Chemistry}, volume = {184}, year = {2013}, month = {DEC}, pages = {108-115}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Spontaneous adsorption of the A beta peptide on the surface of a single-walled carbon nanotube, resulting in the prevention of its intrinsic propensity to form collapsed states, could be a plausible means to hinder the peptide{\textquoteright}s initial nucleation and self-assembly. We report here the effects of sharply reducing both aromatic and hydrophobic character within the peptide{\textquoteright}s central hydrophobic core on its free and surface behavior. In such an altered peptide, complete surface adsorption is found to induce, rather than prevent, the adsorbed peptide{\textquoteright}s collapse. The weakened surface interactions of the central hydrophobic core allow its greater translational mobility on the surface, thereby facilitating interactions that lead to compaction. Both the adsorption and the subsequent collapse are accompanied by a loss of surface hydration in the modified peptide. We further find that such a two-step dewetting leads to hydration levels comparable to that obtained after compaction of the free peptide. These insights may be leveraged for designing molecular surfaces for disrupting intrinsic A beta behavior. (C) 2013 Elsevier B.V. All rights reserved.

}, keywords = {Adsorption, Amyloid beta peptide, carbon nanotube, Lateral mobility, molecular dynamics simulation, Surface induced collapse}, issn = {0301-4622}, doi = {10.1016/j.bpc.2013.09.008}, author = {Jana, Asis K. and Sengupta, Neelanjana} } @article { ISI: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:000322938100026, title = {Synthesis and X-ray single crystal structure of a cadmium(II) acetophenone thiosemicarbazone complex and its use as a single-source precursor for the preparation of CdS nanocrystallites and thin films}, journal = {Polyhedron}, volume = {61}, year = {2013}, month = {SEP}, pages = {195-201}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

{A cadmium(II) acetophenone thiosemicarbazone complex has been prepared and characterized by elemental analysis, infrared and nuclear magnetic resonance (H-1 and C-13{H-1}) spectroscopic techniques. Its single crystal structure has also been determined. The compound is found to be monoclinic, space group C2/c, with a = 12.1020(3) angstrom

}, keywords = {CdS, Nanocrystallites, Single source precursor, Thin films, Thiosemicarbazone complex}, issn = {0277-5387}, doi = {10.1016/j.poly.2013.05.052}, author = {Palve, Anil M. and Joshi, Pranaya V. and Puranik, Vedavati G. and Garje, Shivram S.} } @article { ISI:000325006600012, title = {Synthesis of indolizidine, pyrrolizidine and quinolizidine ring systems by proline-catalyzed sequential alpha-amination and HWE olefination of an aldehyde}, journal = {RSC Advances}, volume = {3}, number = {40}, year = {2013}, month = {AUG}, pages = {18288-18291}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A general procedure for the synthesis of azabicyclic ring systems viz. indolizidine, pyrrolizidine and quinolizidine has been developed utilizing proline-catalyzed sequential alpha-amination and Horner-Wadsworth-Emmons (HWE) olefination of an aldehyde as the key step. This method can be further extended to the synthesis of various biologically active natural products containing azabicyclic ring systems.

}, issn = {2046-2069}, doi = {10.1039/c3ra42001a}, author = {Kauloorkar, Shruti Vandana and Jha, Vishwajeet and Kumar, Pradeep} } @article { ISI:000323019400017, title = {Synthetic zipper peptide motif orchestrated via co-operative interplay of hydrogen bonding, aromatic stacking, and backbone chirality}, journal = {Journal of the American Chemical Society}, volume = {135}, number = {31}, year = {2013}, month = {AUG}, pages = {11477-11480}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Here, we report on a new class of synthetic zipper peptide which assumes its three-dimensional zipper-like structure via a co-operative interplay of hydrogen bonding, aromatic stacking, and backbone chirality. Structural studies carried out in both solid- and solution-state confirmed the zipper-like structural architecture assumed by the synthetic peptide which makes use of unusually remote inter-residual hydrogen-bonding and aromatic stacking interactions to attain its shape. The effect of chirality modulation and the extent of noncovalent forces in the structure stabilization have also been comprehensively explored via single-crystal X-ray diffraction and solution-state NMR studies. The results highlight the utility of noncovalent forces in engineering complex synthetic molecules with intriguing structural architectures.

}, issn = {0002-7863}, doi = {10.1021/ja405455g}, author = {Nair, Roshna V. and Kheria, Sanjeev and Rayavarapu, Suresh and Kotmale, Amol S. and Jagadeesh, Bharatam and Gonnade, Rajesh G. and Puranik, Vedavati G. and Rajamohanan, Pattuparambil R. and Sanjayan, Gangadhar J.} } @article { ISI:000314488700006, title = {Systematic evaluation of a few proline derivatives as catalysts for a direct aldol reaction}, journal = {Tetrahedron-Asymmetry}, volume = {24}, number = {1}, year = {2013}, month = {JAN}, pages = {43-49}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A series of pyrrolidine derivatives were prepared and examined as catalysts for an aldol reaction. Structural variations in these molecules involved altering the sterics at the alpha-position, the position of the carbonyl group, and the acidities of the hydrogen bonding sites. The effect of these factors on catalytic activity and enantioselectivity was studied. The experimental results revealed that additional sterics at the alpha-position were detrimental. However, no correlation was found between the catalytic activity and N-H acidity. (C) 2012 Elsevier Ltd. All rights reserved.

}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2012.11.018}, author = {Sutar, Revannath L. and Joshi, Navalkishore N.} } @article { ISI:000318393000043, title = {True water soluble palladium-catalyzed Heck reactions in aqueous-organic biphasic media}, journal = {Tetrahedron Letters}, volume = {54}, number = {21}, year = {2013}, month = {MAY}, pages = {2733-2736}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A stable water soluble palladium catalyst has been demonstrated for the Heck reaction in a biphasic medium (water-non-polar organic solvent). Biphasic Heck reactions reported till now generally employ a non-polar solvent along with an aqueous polar water miscible organic solvent as the second phase. The efficiency of the Pd complex of TOTPS [Trisodium salt of tri-(ortho-tolyl) phosphine tri sulfonate] for the vinylation of different aryl iodides and olefins is demonstrated. The advantages of a co-solvent for this biphasic system have also been shown. The catalyst has been recycled efficiently retaining the activity with negligible loss of catalyst and without leaching of the Pd. (c) 2013 Elsevier Ltd. All rights reserved.

}, keywords = {Aqueous biphasic catalysis, C-C coupling, Heck reaction, Water-soluble catalyst}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2013.03.067}, author = {Jagtap, Sangeeta Vijay and Deshpande, Raj Madhukar} } @article {PACHFULE, title = {Two-stage fermentation process for enhanced mannitol production using Candida magnoliae mutant R9}, journal = {Bioprocess and Biosystems Engineering}, volume = {36}, number = {2}, year = {2013}, month = {FEB}, pages = {193-203}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Mutants of Candida magnoliae NCIM 3470 were generated by treatment of ultra-violet radiations, ethyl methyl sulphonate and N-methyl-N{\textquoteright}-nitro-N-nitrosoguanidine. Mutants with higher reductase activity were screened by means of 2,3,5-triphenyl tetrazolium chloride agar plate assay. Among the screened mutants, the mutant R9 produced maximum mannitol (i.e. 46 g l(-1)) in liquid fermentation medium containing 250 g l(-1) glucose and hence was selected for further experiments. Preliminary optimization studies were carried out on shake-flask level which increased the mannitol production to 60 g l(-1) in liquid fermentation medium containing 300 g l(-1) glucose. A two-stage fermentation process comprising of growth phase and production phase was employed. During the growth phase, glucose was supplemented and aerobic conditions were maintained. Thereafter, the production phase was initiated by supplementing fructose and switching to anaerobic conditions by discontinuing aeration and decreasing the speed of agitation. The strategy of two-stage fermentation significantly enhanced the production of mannitol up to 240 g l(-1), which is the highest among all fermentative production processes and corresponds to 81 \% yield and 4 g l(-1) h(-1) productivity without formation of any by-product.

}, keywords = {Candida magnoliae, D-Mannitol, Mutagenesis, Strain improvement, Two-stage fermentation}, issn = {1615-7591}, doi = {10.1007/s00449-012-0775-4}, author = {Savergave, Laxman S. and Gadre, Ramchandra V. and Vaidya, Bhalchandra K. and Jogdand, Vitthal V.} } @article { ISI:000350032000042, title = {Advanced cell-based high-throughput screening assays targeting active and latent Mycobacterium tuberculosis}, journal = {Journal of Biotechnology}, volume = {185}, number = {S}, year = {2014}, note = {European Biotechnology Congress, Lecce, ITALY, MAY 15-18, 2014}, month = {SEP}, pages = {S18}, publisher = {ELSEVIER SCIENCE BV}, type = {Meeting Abstract}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, issn = {0168-1656}, doi = {10.1016/j.jbiotec.2014.07.061}, author = {Shurpali, Ketaki Dilip and Singh, Upasana and Sarkar, Shamim Akhtar Sampa and Mishra, Abhishek and Kulkarni, Roshan and Joshi, Swati P. and Sarkar, Dhiman} } @article { ISI:000333939500005, title = {Antifungal dimeric chalcone derivative kamalachalcone E from Mallotus philippinensis}, journal = {Natural Product Research}, volume = {28}, number = {4}, year = {2014}, month = {FEB}, pages = {245-250}, publisher = {TAYLOR \& FRANCIS LTD}, type = {Article}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {

From the red coloured extract (Kamala) prepared through acetone extraction of the fresh whole uncrushed fruits of Mallotus philippinensis, one new dimeric chalcone (1) along with three known compounds 1-(5,7-dihydroxy-2,2,6-trimethyl-2H-1-benzopyran-8-yl)-3-phenyl-2-propen -1-one (2), rottlerin (3) and 4 {\textquoteleft}-hydroxyrottlerin (4) were isolated. The structure of compound 1 was elucidated by 1D and 2D NMR analyses that included HSQC, HMBC, COSY and ROESY experiments along with the literature comparison. Compounds 1-4 were evaluated for antifungal activity against different human pathogenic yeasts and filamentous fungi. The antiproliferative activity of the compounds was evaluated against Thp-1 cell lines. Compounds 1 and 2 both exhibited IC50 of 8, 4 and 16 mu g/mL against Cryptococcus neoformans PRL518, C. neoformans ATCC32045 and Aspergillus fumigatus, respectively. Compound 4, at 100 mu g/mL, showed 54\% growth inhibition of Thp-1 cell lines.

}, keywords = {4 {\textquoteleft}-hydroxyrottlerin, antifungal, dimeric chalcone, kamalachalcone E, Mallotus philippinensis, rottlerin}, issn = {1478-6419}, doi = {10.1080/14786419.2013.843178}, author = {Kulkarni, Roshan R. and Tupe, Santosh G. and Gample, Suvarna P. and Chandgude, Macchindra G. and Sarkar, Dhiman and Deshpande, Mukund V. and Joshi, Swati P.} } @article { ISI:000344448000015, title = {Anti-fungal potentials of extracellular metabolites of western ghats isolated streptomyces sp NII 1006 against moulds and yeasts}, journal = {Indian Journal of Experimental Biology }, volume = {52}, number = {11}, year = {2014}, month = {NOV}, pages = {1138-1146}, publisher = {NATL INST SCIENCE COMMUNICATION-NISCAIR}, type = {Article}, address = {DR K S KRISHNAN MARG, PUSA CAMPUS, NEW DELHI 110 012, INDIA}, abstract = {

Realization of hazardious effects of chemical fungicides has led to an interest in the usage of biocontrol agents. The present study, therefore, evaluates the biocontrol efficacy of Western Ghats (India) soil bacterial isolates. A potential strain NII 1006 was evaluated for its antagonistic property against a diverse range of moulds and yeasts. The strain was characterized morphologically, biochemically and molecularly, which revealed the isolate belonged to Streptomyces genus. Organic solvent extracts of NII 1006 culture filtrates inhibited the growth of the test pathogens indicating that growth suppression was due to extracellular anti-fungal metabolites present in the culture filtrates. The strain produced extracellular chitinase enzyme in addition to some stable partially purified anti-fungal compounds. Morphological changes such as hyphae degradation into debris and abnormal shapes were observed in test fungi and yeast grown on potato dextrose broth that contained the NII 1006 culture filtrate. The cell free supernatant has a tolerance to wide range of pH, temperature and enzymes such as lipase and protease. The biocontrol potential of NII 1006 strain may be correlated significantly with their ability to produce antibiotics as well as extracellular hydrolytic enzymes particularly chitinolytic enzyme.

}, keywords = {Anti-fungal activity, Biocontrol, Extracellular anti-fungal metabolites, Streptomyces}, issn = {0019-5189}, author = {Jayamurthy, Himani and Sajna, Kuttavan Valappil and Dastager, Syed Gulam and Pandey, Ashok} } @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:000337000403805, title = {Atomistic simulations lend mechanistic insights into plausible ways of perturbing the nucleation thermodynamics of the full-length a beta peptide}, journal = {Biophysical Journal}, volume = {106}, number = {2, 1}, year = {2014}, note = {58th Annual Meeting of the Biophysical-Society, San Francisco, CA, FEB 15-19, 2014}, month = {JAN}, pages = {683A}, publisher = {Biophys Soc}, type = {Meeting Abstract}, address = {600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA}, issn = {0006-3495}, author = {Jana, Asis K. and Sengupta, Neelanjana} } @article { ISI:000330143000008, title = {CdS nanowires: ultra-long growth and enhanced field emission properties}, journal = {Vaccum}, volume = {101}, number = {SI}, year = {2014}, month = {MAR}, pages = {38-45}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Here, we report the synthesis of ultra-long CdS nanowires with aspect ratio similar to 8 x 10(4) by simple route of thermal evaporation technique. A change in the vertical arrangement of quartz boats leads in to the synthesis of ultra-long CdS nanovvires via high degree of condensation. This technique is seen to be cost effective and easy. The growth of the nanowires is found to be increased very rapidly from few micrometers to few millimeters. The possible reason for the growth of the ultra-long CdS nanowires is discussed in detail. The turn-on field defined for the current density of similar to 0.1 mu A/cm(2) has been found to be similar to 1.4, 1.45, 1 and 0.17 V/mu m for specimen A, B, C and D (specimens A-D, synthesized by variation in synthesis parameters) respectively. The turn-on field of the specimen D (similar to 0.17 V/mu m) is found to be quite superior than the value reported for other CdS nanoforms which is very remarkable. Simple way of bulk fabrication leads to the low turn-on value which indicates a possible use of the present emitter in the micro/nanoelectronics devices. (C) 2013 Elsevier Ltd. All rights reserved.

}, keywords = {Current stability, field emission, synthesis}, issn = {0042-207X}, doi = {10.1016/j.vacuum.2013.07.019}, author = {Chavan, Padmakar G. and Kashid, Ranjit V. and Badhade, Satish S. and Mulla, Imtiaz S. and More, Mahendra A. and Joag, Dilip S.} } @conference {46371, title = {Characteristics of HRV patterns for different yoga postures}, booktitle = {2014 Annual IEEE India Conference (INDICON)}, year = {2014}, month = {DEC}, publisher = {YASHADA, MDC, IEEE Pune Sect; IEEE}, organization = {YASHADA, MDC, IEEE Pune Sect; IEEE}, address = {345 E 47TH ST, NEW YORK, NY 10017 USA}, abstract = {

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

}, keywords = {ECG, HRV, Poincare plot, Recurrence plot, Yogasanas}, isbn = {978-1-4799-5364-6}, author = {Pitale, Rahul and Tajane, Kapil and Phadke, Leena and Joshi, Aniruddha and Umale, Jayant} } @article { ISI: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 { ISI:000347602400004, title = {Chemoselective deprotection of N-allylic amines using DDQ}, journal = {Tetrahedron Letters}, volume = {55}, number = {52}, year = {2014}, month = {DEC}, pages = {7172-7176}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A highly chemoselective and simple method for the deprotection of N-allylic amines using DDQ has been developed. The use of DDQ in dichloromethane-water provides a mild and efficient one-step deallylation of a wide variety of orthogonally protected tertiary amine derivatives. (C) 2014 Elsevier Ltd. All rights reserved.

}, keywords = {Chemoselective deprotection, DDQ, N-Allylic amines, Orthogonally protected tertiary amines}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2014.10.136}, author = {Kumar, Pradeep and Cherian, Shijo K. and Jain, Ruchi and Show, Krishanu} } @article {46397, title = {Cocrystals/salts of Furosemide : Interesting case of colour cocrystal polymorphism}, journal = {Acta Crystallographica A-Foundation and Advances}, volume = {70}, year = {2014}, month = {MAY}, pages = {C724}, type = {Meeting Abstract}, keywords = {Color cocrystal polymorphism, Sandwich assembly, Stacking interactions}, issn = {2053-2733}, author = {Sangtani, Ekta and Jha, Kunal and Munshi, Parthapratim and Gonnade, Rajesh} } @article { ISI:000342257000011, title = {Co-immobilized glucose oxidase and beta-galactosidase on bovine serum albumin coated allyl glycidyl ether (AGE)-ethylene glycol dimethacrylate (EGDM) copolymer as a biosensor for lactose determination in milk}, journal = {Enzyme and Microbial Technology}, volume = {64-65}, year = {2014}, month = {OCT}, pages = {67-73}, publisher = {ELSEVIER SCIENCE INC}, type = {Article}, address = {360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA}, abstract = {

Bovine serum albumin (BSA) was adsorbed on allyl glycidyl ether (AGE)-ethylene glycol dimethacrylate (EGDM) copolymer with 25\% crosslink density (AGE-25) at pH 8.0 (16\% w/w). The amino, thiol and carboxylic acid functional groups available on protein coated surface were utilized for covalent immobilization of glucose oxidase and beta-galactosidase, both independently, and in a step-wise manner on the same matrix, with no more than 10\% loss of enzyme activity during immobilization. Glutaraldehyde cross-linking after immobilization provided stable enzyme preparations. The pH-optima of the immobilized enzymes were similar to those for free enzyme but their thermal stability was vastly improved. The co-immobilized enzyme support was used as a biosensor for determination of lactose in milk with excellent reproducibility and reusability. (C) 2014 Elsevier Inc. All rights reserved.

}, keywords = {beta-Galactosidase, Bovine serum albumin, Glucose oxidase, Immobilization, Lactose assay}, issn = {0141-0229}, doi = {10.1016/j.enzmictec.2014.07.005}, author = {Jasti, Lakshmi Swarnalatha and Dola, Sandhya Rani and Fadnavis, Nitin W. and Addepally, Uma and Daniels, Siona and Ponrathnam, Surendra} } @article { ISI:000334476100013, title = {Comparative study on the dye sensitized solar cell performance of solution processed ZnO}, journal = {Solar Energy}, volume = {102}, year = {2014}, month = {APR}, pages = {143-151}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

We have monitored the performance of the dye-sensitized solar cells (DSSC) using solution processed ZnO having different shapes and aspect ratios. The aspect ratio and surface area of the ZnO structures have been regulated by carefully controlling the precursor concentration and reaction conditions. The shape of the synthesized structures has been varied from larger rods to smaller rods to hexagonal prisms. The synthesized hexagonal prism shaped ZnO with an aspect ratio of around one exhibited the highest surface area of 42 m(2)/g. The ZnO rods with higher aspect ratios of 5 and 16 exhibited lower surface areas of 22 and 2 m(2)/g, respectively. The dye sensitized solar cells constructed using the as-prepared ZnO structures and N719 dye molecules, exhibited efficiencies that varied as a function of surface area of the samples, with ZnO hexagonal prism exhibiting a maximum efficiency of around 1.38 +/- 0.01\%. The results indicated a direct correlation between the surface area of the ZnO structures and the energy conversion efficiency. (C) 2014 Elsevier Ltd. All rights reserved.

}, keywords = {DSSC, Photoanode, surface area, ZnO}, issn = {0038-092X}, doi = {10.1016/j.solener.2014.01.011}, author = {Jana, Arpita and Das, Partha Pratim and Agarkar, Shruti A. and Devi, P. Sujatha} } @article { ISI:000335706100026, title = {Comparison of polymer induced and solvent induced trypsin denaturation: the role of hydrophobicity}, journal = {Colloids and Surfaces B-Biointerfaces}, volume = {116}, year = {2014}, month = {APR}, pages = {201-205}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Trypsin adsorption from aqueous buffer by various copolymers of allyl glycidyl ether-ethylene glycol dimethacrylate (AGE-EGDM) copolymer with varying crosslink density increases with increasing crosslink density and the effect slowly wears off after reaching a plateau at 50\% crosslink density. The copolymer with 25\% crosslink density was reacted with different amines with alkyl/aryl side chains to obtain a series of copolymers with 1,2-amino alcohol functional groups and varying hydrophobicity. Trypsin binding capacity again increases with hydrophobicity of the reacting amine and a good correlation between logP(octanol) of the amine and protein binding is observed. The bound trypsin is denatured to the extent of 90\% in spite of the presence of hydrophilic hydroxyl and amino groups. The behavior was comparable to that in mixtures of aqueous buffer and water-miscible organic co-solvents where the solvent concentration required to deactivate 50\% of the enzyme (C-50) is dependent on logP(octanol) of the co-solvent. (C) 2014 Elsevier B.V. All rights reserved.

}, keywords = {Adsorption, Denaturation, Hydrophobicity, Polymer, Trypsin}, issn = {0927-7765}, doi = {10.1016/j.colsurfb.2014.01.002}, author = {Jasti, Lakshmi Swarnalatha and Fadnavis, Nitin W. and Addepally, Uma and Daniels, Siona and Deokar, Sarika Babasaheb and Ponrathnam, Surendra} } @article { ISI:000346134300012, title = {Continuous-flow meerwein arylation}, journal = {Journal of Flow Chemistry}, volume = {4}, number = {4}, year = {2014}, month = {DEC}, pages = {211-216}, publisher = {AKADEMIAI KIADO RT}, type = {Article}, address = {PRIELLE K U 19, PO BOX 245,, H-1117 BUDAPEST, HUNGARY}, abstract = {

The continuous-flow Meerwein arylation is demonstrated for a set of few aryl donors (anilines and m-aminoacetophenone) and specific radical acceptors. Homogeneous catalyst (CuBr in HBr and CuCl in HCl) was used to facilitate the reaction. The effect of parameters, viz., temperature, catalyst concentration, residence time, and concentration of the radical acceptor on the yield of the arylated product, was studied. The yield of the aryl derivative obtained by continuous-flow syntheses was always better than the respective experiments in batch mode. Flow synthesis allows easy variation in these parameters and thus allows going close to the maximum possible yields in a system where the relative rates of different reactions create a complex situation. Temperature plays a crucial role by affecting the rates as well as by governing the system homogeneity. The nitrogen bubbles generated in the reaction helped to avoid any channel blockage.

}, keywords = {diazonium salt, flow chemistry, homogeneous catalyst, Meerwein arylation, micromixer, multistep synthesis}, issn = {2062-249X}, doi = {10.1556/JFC-D-14-00023}, author = {Bhaya, Vinay G. and Joshi, Ramesh A. and Kulkarni, Amol A.} } @article { ISI:000335152300007, title = {Croncise organocatalytic route to protected (2S, 4R)-4-hydroxyornithine and(+)-pseudohygroline}, journal = {Synlett}, volume = {25}, number = {8}, year = {2014}, month = {MAY}, pages = {1089-1092}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

A practical, efficient, and organocatalytic approach to the synthesis of (2S,4R)-4-hydroxyornithine and (+)-pseudohygroline is reported using proline-catalyzed sequential alpha-aminoxylation/alpha-amination reaction and Horner-Wadsworth-Emmons olefination reaction of an aldehyde as the key step.

}, keywords = {aldehydes, Amination, Amino alcohols, cyclization, Enantioselectivity, Wittig reaction}, issn = {0936-5214}, doi = {10.1055/s-0033-1340977}, author = {Jha, Vishwajeet and Kumar, Pradeep} } @article { ISI:000341855900027, title = {Cross dimerization of amyloid-beta and alpha synuclein proteins in aqueous environment: a molecular dynamics simulations study}, journal = {Plos One}, volume = {9}, number = {9}, year = {2014}, month = {SEP}, pages = {Article No. : e106883}, publisher = {PUBLIC LIBRARY SCIENCE}, address = {1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA}, abstract = {

Self-assembly of the intrinsically unstructured proteins, amyloid beta (A beta) and alpha synclein (alpha Syn), are associated with Alzheimer{\textquoteright}s Disease, and Parkinson{\textquoteright}s and Lewy Body Diseases, respectively. Importantly, pathological overlaps between these neurodegenerative diseases, and the possibilities of interactions between A beta and alpha Syn in biological milieu emerge from several recent clinical reports and in vitro studies. Nevertheless, there are very few molecular level studies that have probed the nature of spontaneous interactions between these two sequentially dissimilar proteins and key characteristics of the resulting cross complexes. In this study, we have used atomistic molecular dynamics simulations to probe the possibility of cross dimerization between alpha Syn(1-95) and A beta(1-42), and thereby gain insights into their plausible early assembly pathways in aqueous environment. Our analyses indicate a strong probability of association between the two sequences, with inter-protein attractive electrostatic interactions playing dominant roles. Principal component analysis revealed significant heterogeneity in the strength and nature of the associations in the key interaction modes. In most, the interactions of repeating Lys residues, mainly in the imperfect repeats {\textquoteleft}KTKEGV{\textquoteright} present in alpha Syn(1-95) were found to be essential for cross interactions and formation of inter-protein salt bridges. Additionally, a hydrophobicity driven interaction mode devoid of salt bridges, where the non-amyloid component (NAC) region of alpha Syn(1-95) came in contact with the hydrophobic core of A beta(1-42) was observed. The existence of such hetero complexes, and therefore hetero assembly pathways may lead to polymorphic aggregates with variations in pathological attributes. Our results provide a perspective on development of therapeutic strategies for preventing pathogenic interactions between these proteins.

}, issn = {1932-6203}, doi = {10.1371/journal.pone.0106883}, author = {Jose, Jaya C. and Chatterjee, Prathit and Sengupta, Neelanjana} } @article { ISI:000339729400018, title = {CVD synthesis of graphene nanoplates on MgO support}, journal = {Materials Science-Poland}, volume = {32}, number = {2}, year = {2014}, month = {JUN}, pages = {243-246}, publisher = {OFICYNA WYDAWNICZA POLITECHNIKI WROCLAWSKIEJ}, address = {WYBRZEZE WYSPIANSKIEGO 27, 50-370 WROCLAW, POLAND}, abstract = {

Synthesis of graphene directly on MgO has been carried out and the structural properties of the obtained material have been investigated. Few-layered graphene was produced by simple thermal decomposition of methane over MgO powder at 950 A degrees C in a CVD reactor. The samples were purified by 10 N HNO3 treatment, and studied by TEM, Raman spectroscopy, EDAX and SEM. TEM clearly indicated the formation of graphene. EDAX showed that the purified sample contained only carbon and no traces of MgO. The characteristic Raman features of graphene were also seen as D-band at 1316 cm(-1), G-band at 1602 cm(-1), and a small 2D-band at 2700 cm(-1) in the Raman spectra. The strong D-band suggests that the graphene possess large number of boundary defects. The small 2D-band indicates the formation of few-layered graphene.

}, keywords = {graphene, magnesium oxide, nanographene}, issn = {2083-1331}, doi = {10.2478/s13536-013-0193-6}, author = {Jugade, Ravin M. and Sharma, Shalini and Gokhale, Suresh} } @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:000337149900033, title = {Design, synthesis and cytotoxicity of novel N-benzylpiperidin-4-one oximes on human cervical cancer cells}, journal = {Journal of Chemical Sciences}, volume = {126}, number = {3}, year = {2014}, month = {MAY}, pages = {861-873}, publisher = {INDIAN ACAD SCIENCES}, type = {Article}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

A series of fifteen diversified N-benzylpiperidin-4-one oximes were synthesized and characterized by their NMR spectral data. Additionally, single-crystal XRD analysis was performed for the representative symmetrically and unsymmetrically substituted molecules. All the synthesized oximes from unsymmetrical ketones existed as E-isomer as witnessed by their NMR and XRD data. Among the synthesized target compounds that evaluated for their in vitro cytotoxicity against human cervical carcinoma (HeLa) cells, five compounds were potent with IC50 \< 17 mu M. 1-Benzyl-2,6-bis(4-isopropylphenyl)-3-methylpiperidin-4-one oxime 3c with an IC50 of 13.88 mu M was found to be the best active compound as depicted by the microscopic analysis.

}, keywords = {Cytotoxicity, HeLa cells, N-benzylpiperidin-4-one oximes, single-crystal XRD}, issn = {0974-3626}, doi = {10.1007/s12039-014-0622-z}, author = {Dindulkar, Someshwar D. and Bhatnagar, Ira and Gawade, Rupesh L. and Puranik, Vedavati G. and Kim, Se-Kwon and Anh, Dong Hyun and Parthiban, Paramasivam and Jeong, Yeon Tae} } @article { ISI:000341800200002, title = {Differential antibiosis against helicoverpa armigera exerted by distinct inhibitory repeat domains of capsicum annuum proteinase inhibitors}, journal = {Phytochemistry}, volume = {101}, year = {2014}, month = {MAY}, pages = {16-22}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Plant defensive serine proteinase inhibitors (Pis) are known to have negative impact on digestive physiology of herbivore insects and thus have a crucial role in plant protection. Here, we have assessed the efficacy and specificity of three previously characterized inhibitory repeat domain (IRD) variants from Capsicum annuum PIs viz., IRD-7, -9 and -12 against gut proteinases from Helicoverpa armigera. Comparative study of in silico binding energy revealed that IRD-9 possesses higher affinity towards H. armigera serine proteinases as compared to IRD-7 and -12. H. armigera fed on artificial diet containing 5 TIU/g of recombinant IRD proteins exhibited differential effects on larval growth, survival rate and other nutritional parameters. Major digestive gut trypsin and chymotrypsin genes were down regulated in the IRD fed larvae, while few of them were up-regulated, this indicate alterations in insect digestive physiology. The results corroborated with proteinase activity assays and zymography. These findings suggest that the sequence variations among Pis reflect in their efficacy against proteinases in vitro and in vivo, which also could be used for developing tailor-made multi-domain inhibitor gene(s). (C) 2014 Elsevier Ltd. All rights reserved.

}, keywords = {Capsicum annuum, Helicoverpa armigera, Inhibitory repeat domain, Proteases, Proteinase inhibitors}, issn = {0031-9422}, doi = {10.1016/j.phytochem.2014.01.011}, author = {Joshi, Rakesh S. and Gupta, Vidya S. and Giri, Ashok P.} } @article { ISI:000329579900029, title = {Dimethyl homophthalates to naphthopyrans: the total synthesis of arnottin I and the formal synthesis of (-)-arnottin II}, journal = {RSC Advances}, volume = {4}, number = {11}, year = {2014}, month = {JAN}, pages = {5531-5535}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A simple and efficient 3-step synthetic protocol has been reported for dimethyl homophthalates to naphthopyrans. Starting from dimethyl 2,3-dimethoxyhomophthalate, a practical synthesis of arnottin I has been described via a base catalyzed mono-alkylation, the selective hydrolysis of an aliphatic ester moiety, two consecutive intramolecular cyclizations and an oxidative aromatization pathway with a very good overall yield. The involved intramolecular acylation followed by an associated enolative lactonization was the decisive step. The synthesis of dihydroarnottin I also completes the formal synthesis of (-)-arnottin II.

}, issn = {2046-2069}, doi = {10.1039/c3ra45312j}, author = {Jangir, Ravi and N. P. Argade} } @article { ISI:000342087400004, title = {Discontinuous two step flow synthesis of m-aminoacetophenone}, journal = {Green Processing and Synthesis}, volume = {3}, number = {4}, year = {2014}, month = {AUG}, pages = {279-285}, publisher = {WALTER DE GRUYTER GMBH}, type = {Article}, address = {GENTHINER STRASSE 13, D-10785 BERLIN, GERMANY}, abstract = {

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

}, keywords = {acetophenone, continuous flow synthesis, microreactor, nitration, reduction}, issn = {2191-9542}, doi = {10.1515/gps-2014-0043}, author = {Tibhe, Jagdish and Sharma, Yachita and Joshi, Ramesh A. and Joshi, Rohini R. and Kulkarni, Amol A.} } @article { ISI: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: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: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:000346322200021, title = {Efficient conversion of cellulose to levulinic acid by hydrothermal treatment using zirconium dioxide as a recyclable solid acid catalyst}, journal = {Industrial \& Engineering Chemistry Research}, volume = {53}, number = {49}, year = {2014}, month = {DEC}, pages = {18796-18805}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Conversion of cellulose into platform chemicals is essential for sustainable development of the chemical industry. With this aim, single step hydrothermal conversion of cellulose to industrially important levulinic acid using zirconium dioxide as a catalyst has been investigated. A remarkably high yield (53.9 mol \%) of levulinic acid with excellent accountability and total conversion of cellulose has been achieved at 180 degrees C reaction temperature and reaction time of 3 h with 2 wt \% of catalyst and 2 g of cellulose. The major products identified were levulinic acid (LA), formic acid (FA), 5-hydroxymethylfurfural (5-HMF), furfural, and humins. Formation of humins during cellulose hydrolysis and dehydration was observed and is also confirmed by NMR and FTIR analysis. The effect of various reaction parameters such as temperature, time, substrate concentration, and catalyst loading on conversion and selectivity has been studied. The catalyst has been regenerated and recycled several times without any loss of activity and selectivity.

}, issn = {0888-5885}, doi = {10.1021/ie5011838}, author = {Joshi, Sunil S. and Zodge, Amit D. and Pandare, Kiran V. and Kulkarni, Bhaskar D.} } @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: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: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:000336254200003, title = {Enhancement of CO2 uptake in iso-reticular Co based zeolitic imidazolate frameworks via metal replacement}, journal = {CrystEngComm}, volume = {16}, number = {22}, year = {2014}, month = {JUN}, pages = {4677-4680}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Three Co based Zeolitic Imidazolate Frameworks (Co-ZIF-68, -69 and -81) which adopt a GME topology with high porosity have been synthesized. These Co-ZIFs show high CO2 (273 K/298 K) uptake compared to their isostructural Zn based analogues, which has been proved experimentally as well as by ab initio calculations.

}, issn = {1466-8033}, doi = {10.1039/c3ce42075b}, author = {Panda, Tamas and Gupta, Krishna M. and Jiang, Jianwen and Banerjee, Rahul} } @article { ISI:000328527000041, title = {Esterification of levulinic acid to ethyl levulinate over bimodal micro-mesoporous H/BEA zeolite derivatives}, journal = {Catalysis Communications}, volume = {43}, year = {2014}, month = {JAN}, pages = {188-191}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A series of bimodal micro-mesoporous H/BEA zeolite derivatives were prepared by the post-synthesis modification of H/BEA zeolite by NaOH (0.05 M-1.2 M) treatment Samples were characterized by powder XRD, low temperature nitrogen adsorption/desorption, temperature programmed desorption of ammonia and ICP. The mesopore formation was found to play a crucial role in liquid phase esterification of levulinic acid with ethanol. The enhanced catalytic activity of a bimodal micro-mesoporous H/BEA zeolite derivative (H/BEA(0.10)) prepared by treatment with 0.1M NaOH can be mainly attributed to the high mesoporosity coupled with better preserved crystallinity and acidic properties. (C) 2013 Elsevier B.V. All rights reserved.

}, keywords = {Esterification, ethyl levulinate, H/BEA zeolite, Mesoporosity, Post-synthesis modification}, issn = {1566-7367}, doi = {10.1016/j.catcom.2013.10.006}, author = {Patil, C. R. and Niphadkar, P. S. and Bokade, Vijay V. and Joshi, P. N.} } @article { ISI:000342545900037, title = {Extended coupled cluster method for potential energy surface: a decoupled approach}, journal = {Chemical Physics Letters}, volume = {612}, year = {2014}, month = {SEP}, pages = {209-213}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Extended coupled cluster (ECC) method has been implemented extensively for the calculation of molecular properties. In this Letter we report the potential energy surface (PES) study using coupled and a decoupled approximation of ECC. HF, N-2 and C-2 are studied as test systems. N-2 and C-2 being doubly and triply bonded, are considered to be interesting systems for PES study. We compare our results with full CI (FCI) results wherever available. Decoupled approach within ECC framework shows good convergence for all the molecules. (C) 2014 Elsevier B.V. All rights reserved.

}, issn = {0009-2614}, doi = {10.1016/j.cplett.2014.08.016}, author = {Joshi, Sayali P. and Vaval, Nayana} } @article { ISI:000341065800011, title = {Facile method for the synthesis of Co-core Au-shell nanohybrid}, journal = {New Journal Of Chemistry}, volume = {38}, number = {9}, year = {2014}, month = {SEP}, pages = {4107-4114}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Heterostructured Co-Au core-shell nanoparticles have been synthesized by reducing AuCl4- ions on cobalt nanoparticles after a minor but effective modification of cobalt surface by an amine. The core shell morphology is emphatically confirmed by thorough investigation through UV-Vis spectroscopy, X-ray photoelectron spectroscopy (XPS), and transmission electron microscopic analysis (TEM). The chemical composition and topography were determined using STEM-HAADF analysis and EFTEM imaging. Fourier transform infrared (FTIR) spectroscopy confirms the surface modification of Co nanoparticles and the interactions involved between the ligands and the core and shell metals at various steps of the synthetic process. The magnetic properties confirm the material to be superparamagnetic in nature.

}, issn = {1144-0546}, doi = {10.1039/c4nj00733f}, author = {Sardar, Debasmita and Neogi, S. K. and Bandyopadhyay, Sanjoy and Satpati, Biswarup and Jain, Ruchi and Gopinath, Chinnakonda S. and Bala, Tanushree} } @article { ISI:000337507100014, title = {Facile room temperature synthesis of ZnO nanoflower thin films grown at a solid-liquid interface}, journal = {Journal of Materials Science}, volume = {49}, number = {17}, year = {2014}, month = {SEP}, pages = {5945-5954}, publisher = {SPRINGER}, type = {Article}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Hierarchical ZnO films consisting of nanoflower particulates are successfully grown by a solid-liquid interface reaction technique at room temperature without additives like surfactants, capping agent, or complexing agent. The structural, morphological, and photocatalytic properties of these films are studied using scanning electron microscopy (SEM), energy dispersive X-ray analysis (EDX), transmission electron microscopy (TEM), X-ray photoelectron spectroscopy (XPS), X-ray diffraction (XRD), and UV-Vis spectroscopy. The nucleation, growth processes and hence the resulting morphology of the end product can be regulated by changing the concentration of LiOH and the time of reaction. SEM throws light on the chronology of the flower formation by studying the intermediate morphology. Electron microscopy results indicated that these ZnO nanostructures self-assembled to produce flower-like nanostructures. The highest photocatalytic efficiency was observed for the films prepared at the concentration of LiOH 0.5 mg/mL in ethanol at 24 h. On the basis of the results, a plausible growth mechanism for the formation of flower-like ZnO nanostructures is discussed.

}, issn = {0022-2461}, doi = {10.1007/s10853-014-8313-1}, author = {Jadhav, Aarti H. and Patil, Sagar H. and Sathaye, Shivaram D. and Patil, Kashinath R.} } @article { ISI:000340152000016, title = {Facile synthesis of the isoquinoline alkaloids doryanine and oxyhydrastinine}, journal = {Synthesis-Stuttgart}, volume = {46}, number = {14}, year = {2014}, month = {JUL}, pages = {1954-1956}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

Starting from 4,5-(methylenedioxy)homophthalic acid, a concise and efficient synthesis of the isoquinoline alkaloids dory-anine and oxyhydrastinine is described via the corresponding homophthalimide utilizing a one-pot regioselective reductive dehydration and catalytic hydrogenation pathway.

}, keywords = {dehydration, homophthalic acid, homophthalimide, isoquinoline alkaloids, regioselective reduction}, issn = {0039-7881}, doi = {10.1055/s-0033-1341158}, author = {Jangir, Ravi and Gadre, Smita R. and N. P. Argade} } @article { 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:000343624300030, title = {First iodocyclization reaction of allene-thioureas: an efficient approach to bicyclic beta-lactams}, journal = {Tetrahedron Letters}, volume = {55}, number = {43}, year = {2014}, month = {OCT}, pages = {5998-6000}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The regioselective iodocyclization reaction of allene-thioureas is described, for the first time, for the synthesis of bicyclic beta-lactams. The substitution at the allenyl part heavily influenced the iodocyclization reaction. The iodocyclization reaction of the unsubstituted allene-thioureas afforded six-membered 3-thia-1-dethiacephems whereas, the substituted allene-thiourea afforded seven-membered thiazepines along with five-membered isopenams. (C) 2014 Elsevier Ltd. All rights reserved.

}, keywords = {Allene, beta-Lactams, Iodocyclization, Regioselective, thiourea}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2014.09.004}, author = {Garud, Dinesh R. and Jadhav, Amol R. and Lahore, Santosh V. and Kahar, Nilesh M. and Joshi, Rohini R. and Joshi, Ramesh A. and Koketsu, Mamoru} } @article { ISI:000340267600082, title = {Flexible microwave absorbers based on barium hexaferrite, carbon black, and nitrile rubber for 2-12 GHz applications}, journal = {Journal of Applied Physics}, volume = {116}, number = {2}, year = {2014}, month = {JUL}, pages = {024902}, publisher = {AMER INST PHYSICS}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {

Flexile single layer electromagnetic wave absorbers were designed by incorporating appropriate amounts of carbon black in a nitrile butadiene rubber matrix along with an optimized amount of magnetic counterpart, namely, barium hexaferrite for applications in S, C, and X-bands. Effective dielectric permittivity and magnetic permeability were measured using cavity perturbation method in the frequency range of 2-12 GHz. The microwave absorbing characteristics of the composites were studied in the S, C, and X-bands employing a model in which an electromagnetic wave is incident normally on a metal terminated single layer. Reflection loss exceeding -20 dB is obtained for all the samples in a wide frequency range of 2-12 GHz when an appropriate absorber thickness between 5 and 9 mm is chosen. The impact of carbon black is clearly observed in the optimized composites on the mechanical strength, thickness, band width of absorption, dielectric properties, and absorptivity. (C) 2014 AIP Publishing LLC.

}, issn = {0021-8979}, doi = {10.1063/1.4886382}, author = {Vinayasree, S. and Soloman, M. A. and Sunny, Vijutha and Mohanan, P. and Kurian, Philip and Joy, Pattayil Alias and Anantharaman, Maliemadom R.} } @article { ISI:000343624300009, title = {Fungi mediated production and practical purification of (R)-(-)-3-quinuclidinol}, journal = {Tetrahedron Letters}, volume = {55}, number = {43}, year = {2014}, month = {OCT}, pages = {5911-5914}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {(R)-(-)-3-Quinuclidinol, Amberlite IR-120, Biotransformation, Ion exchange resin, Mucor pinformis}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2014.09.015}, author = {Kolet, Swati P. and Jadhav, Dipesh D. and Priyadarshini, Balaraman and Swarge, Bhagyashree N. and Thulasiram, Hirekodathakallu V.} } @article { ISI:000341165000020, title = {High magnetostriction parameters for low-temperature sintered cobalt ferrite obtained by two-stage sintering}, journal = {Journal of Magnetism and Magnetic Materials}, volume = {371}, year = {2014}, month = {DEC}, pages = {121-129}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

From the studies on the magnetostriction characteristics of two-stage sintered polycrystalline CoFe2O4 made from nanocrystalline powders, it is found that two-stage sintering at low temperatures is very effective for enhancing the density and for attaining higher magnetostriction coefficient. Magnetostriction coefficient and strain derivative are further enhanced by magnetic field annealing and relatively larger enhancement in the magnetostriction parameters is obtained for the samples sintered at lower temperatures, after magnetic annealing, despite the fact that samples sintered at higher temperatures show larger magnetostriction coefficients before annealing. A high magnetostriction coefficient of similar to 380 ppm is obtained after field annealing for the sample sintered at 1100 degrees C, below a magnetic field of 400 kA/m, which is the highest value so far reported at low magnetic fields for sintered polycrystalline cobalt ferrite. (C) 2014 Elsevier B.V. All rights reserved.

}, keywords = {Cobalt ferrite, Magnetostriction, Two-stage sintering}, issn = {0304-8853}, doi = {10.1016/j.jmmm.2014.07.013}, author = {Mohaideen, Kamal Khaja and Joy, Pattayil Alias} } @article {42484, title = {Hydrogen bonding interaction between active methylene hydrogen atoms and an anion as a binding motif for anion recognition: experimental studies and theoretical rationalization}, journal = {Journal of Physical Chemistry A}, volume = {118}, year = {2014}, month = {MAR}, pages = {2656{\textendash}2666}, abstract = {

Two new reagents, having similar spatial arrangements for hydrogen atoms of the active methylene functionalities, were synthesized and interactions of such reagents with different anionic analytes were studied using electronic spectroscopy as well as by using 1H and 31P NMR spectroscopic methods. Experimental studies revealed that these two reagents showed preference for binding to F{\textendash} and OAc{\textendash}. Detailed theoretical studies along with the above-mentioned spectroscopic studies were carried out to understand the contribution of the positively charged phosphonium ion, along with methylene functionality, in achieving the observed preference of these two receptors for binding to F{\textendash} and OAc{\textendash}. Observed differences in the binding affinities of these two reagents toward fluoride and acetate ions also reflected the role of acidity of such methylene hydrogen atoms in controlling the efficiencies of the hydrogen bonding in anion{\textendash}Hmethylene interactions. Hydrogen bonding interactions at lower concentrations of these two anionic analytes and deprotonation equilibrium at higher concentration were observed with associated electronic spectral changes as well as visually detectable change in solution color, an observation that is generally common for other strong hydrogen bond donor functionalities like urea and thiourea. DFT calculations performed with the M06/6-31+G**//M05-2X/6-31G* level of theory showed that F{\textendash} binds more strongly than OAc{\textendash} with the reagent molecules. The deprotonation of methylene hydrogen atom of receptors with F{\textendash} ion was observed computationally. The metal complex as reagent showed even stronger binding energies with these analytes, which corroborated the experimental results.

}, doi = {10.1021/jp501769y}, author = {Agarwalla, Hridesh and Jana, Kalyanashis and Maity, Arunava and Kesharwani, Manoj K. and Ganguly, Bishwajit and Das, Amitava} } @article {45978, title = {Identification of the Zn substitution sites in La-Zn substituted SrAl12O19 from Al-27 solid-state NMR studies}, journal = {Journal of the American Ceramic Society}, volume = {97}, year = {2014}, month = {SEP}, pages = {2990-2995}, type = {Article}, abstract = {

The La-Zn substituted hexagonal strontium aluminate, Sr1-xLaxAl12-xZnxO19, with the magnetoplumbite structure and having five different coordination environments for Al with different symmetries, is investigated using Al-27 solid-state NMR to get detailed information on the sites of substitution of Zn and the associated changes in the local coordination environments of Al. The objective of the study was to get information on the local structural variations in the isostructural La-Co substituted strontium ferrite, Sr1-xLaxFe12-xCoxO19, showing enhanced magnetic performance on substitution. The NMR studies on the aluminate give direct evidence for the sites of substitution and the changes in the local coordination environments. It is found that Zn is substituted at the 2a and 4f(2) AlO6 octahedral sites. However, an interesting observation from the NMR studies is the stabilization of the Al site occupancy at the penta-coordinated 2b site over the distorted tetrahedral 4eAl site, without any substitution at these sites. Large changes in the quadrupolar coupling constant of the 2a and 4e sites are observed between x=0.2 and 0.3, corresponding to the compositional region showing higher performance in the case of Sr1-xLaxFe12-xCoxO19, indicating the role of distortion of local coordination environments on suitable substitution in controlling the performance parameters.

}, issn = {0002-7820}, doi = {10.1111/jace.13029}, author = {Baby, Bindhu and Dey, Krishna K. and Ajithkumar, Thalasseril G. and Joy, Pattayil A.} } @article { ISI:000338605600002, title = {Influence of starting precursors and synthesis methods on the physiochemical properties of zirconia}, journal = {Materials Research Bulletin}, volume = {55}, year = {2014}, month = {JUL}, pages = {8-12}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Under identical and judiciously pre-optimized synthesis conditions, the influence of different combinations of zirconium sources and/or post treatment conditions on structural properties, thermal stability, phase composition and morphology of zirconia has been investigated. High surface area tetragonal zirconia could be synthesized in a cost-effective manner from 1 M solution of zirconium oxynitrate at pH 11 using aqueous ammonia solution as a precipitant when calcined at 400 degrees C for 3 h. Irrespective of the preparation method, pH and starting precursor, zirconia samples prepared without digestion contained dominant monoclinic phase with some traces of tetragonal phase when calcined at 700 degrees C. Even though there is linear decrease in surface area with increase in the crystallite size for each sample as a function of calcination temperature, no co-relation between the surface area and crystallite size could be achieved. SEM images show agglomerated and irregular shape particles between 10 to 20 mu m. (C) 2014 Elsevier Ltd. All rights reserved.

}, keywords = {Oxides, Sol-gel chemistry, Thermogravimetric analysis (TGA)}, issn = {0025-5408}, doi = {10.1016/j.materresbull.2014.03.010}, author = {Gaydhankar, T. R. and Jha, Ratnesh Kumar and Nikalje, M. D. and Waghmare, K. J.} } @article { ISI:000339995100067, title = {Insecticidal potential of defense metabolites from ocimum kilimandscharicum against helicoverpa armigera}, journal = {Plos One}, volume = {9}, number = {8}, year = {2014}, month = {AUG}, pages = {e104377}, publisher = {PUBLIC LIBRARY SCIENCE}, address = {1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA}, abstract = {

Genus Ocimum contains a reservoir of diverse secondary metabolites, which are known for their defense and medicinal value. However, the defense-related metabolites from this genus have not been studied in depth. To gain deeper insight into inducible defense metabolites, we examined the overall biochemical and metabolic changes in Ocimum kilimandscharicum that occurred in response to the feeding of Helicoverpa armigera larvae. Metabolic analysis revealed that the primary and secondary metabolism of local and systemic tissues in O. kilimandscharicum was severely affected following larval infestation. Moreover, levels of specific secondary metabolites like camphor, limonene and beta-caryophyllene (known to be involved in defense) significantly increased in leaves upon insect attack. Choice assays conducted by exposing H. armigera larvae on O. kilimandscharicum and tomato leaves, demonstrated that O. kilimandscharicum significantly deters larval feeding. Further, when larvae were fed on O. kilimandscharicum leaves, average body weight decreased and mortality the larvae increased. Larvae fed on artificial diet supplemented with O. kilimandscharicum leaf extract, camphor, limonene and beta-caryophyllene showed growth retardation, increased mortality rates and pupal deformities. Digestive enzymes of H. armigera - namely, amylase, protease and lipase- showed variable patterns after feeding on O. kilimandscharicum, which implies striving of the larvae to attain required nutrition for growth, development and metamorphosis. Evidently, selected metabolites from O. kilimandscharicum possess significant insecticidal activity.

}, issn = {1932-6203}, doi = {10.1371/journal.pone.0104377}, author = {Singh, Priyanka and Jayaramaiah, Ramesha H. and Sarate, Priya and Thulasiram, Hirekodathakallu V. and Kulkarni, Mahesh J. and Giri, Ashok P.} } @article { ISI:000328952500024, title = {Investigations into variations in local cationic environment in layered oxide series InGaO3(ZnO)(m) (m=1-4)}, journal = {Dalton Transactions}, volume = {43}, number = {5}, year = {2014}, month = {NOV}, pages = {2120-2126}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Layered oxides of the series InGaO3(ZnO)(m) (m = 1-4) are interesting due to their structural anisotropy. Here, we report a comprehensive study of their structural details, focusing on the local cationic environment in bulk powder samples by MASNMR and EXAFS, which is hitherto not attempted. It is found that the Ga geometry varies gradually from pure pentacoordinated to a mixture of penta and tetracoordinated with increasing amounts of tetracoordination as we move across the series, contrary to previous reports suggesting exclusively trigonal bipyramidal coordination in all the compounds. A similar observation is also made in the case of Zn and structural evolution involving the dissolution of Ga in a ZnO4 tetrahedral network in a sandwich layer can be discerned, as the insulating ZnO layer size increases.

}, issn = {1477-9226}, doi = {10.1039/c3dt52011k}, author = {Narendranath, Soumya B. and Yadav, Ashok Kumar and Ajithkumar, Thalasseril G. and Bhattacharyya, Dibyendu and Jha, Shambhu Nath and Dey, Krishna K. and Raja, Thirumalaiswamy and Devi, R. Nandini} } @article { ISI:000336115000029, title = {Lipase mediated separation of triterpene structural isomers, alpha- and beta-amyrin}, journal = {Tetrahedron Letters}, volume = {55}, number = {19}, year = {2014}, month = {MAY}, pages = {3122-3125}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {Amyrin, Candida rugosa, Kinetic separation, Lipase, Structural isomer}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2014.04.015}, author = {Haldar, Saikat and Kale, Balaji S. and Jadhav, Dipesh D. and Thulasiram, Hirekodathakallu V.} } @article { ISI:000327686200049, title = {Magnesia doped Ag/Al2O3 - sulfur tolerant catalyst for low temperature HC-SCR of NOx}, journal = {Applied Catalysis B-Environmental}, volume = {144}, year = {2014}, month = {JAN}, pages = {408-415}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A series of magnesia doped Ag/Al2O3 catalysts were prepared by modified impregnation method using boehmite as alumina precursor. The prepared catalysts were characterized and tested for the SCR of NOx using propene as reductant under lean condition. Doping of magnesia improved the low temperature catalytic activity for HC-SCR of NOx as well as sulfur tolerance. Maximum 98\% NO conversion with 100\% selectivity for N-2 was obtained at 350 degrees C with 7\% Mg doping to Ag/Al2O3. The improvement in low temperature activity and the sulfur tolerance has been correlated to decreased acidity after addition of magnesia to alumina support. In situ FTIR study showed that the deactivation in the presence of SO2 was due to the sulfation of silver and aluminum sites in Ag/Al2O3 catalyst, however its formation was suppressed in case of magnesia doped Ag/Al2O3 improving its sulfur tolerance. (C) 2013 Elsevier B.V. All rights reserved.

}, keywords = {HC-SCR, Low temperature activity, NOx, Sulfur tolerance}, issn = {0926-3373}, doi = {10.1016/j.apcatb.2013.07.044}, author = {More, Pavan M. and Jagtap, Neelam and Kulal, Atul B. and Dongare, Mohan K. and Shubhangi B. Umbarkar} } @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: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:000343016000001, title = {Microscopic hydration properties of the a beta(1-42) peptide monomer and the globular protein ubiquitin: a comparative molecular dynamics study}, journal = {Journal of Physical Chemistry B}, volume = {118}, number = {40}, year = {2014}, month = {OCT}, pages = {11591-11604}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Atomistic molecular dynamics simulations of eight selected conformations of a disordered protein amyloid beta (1-42) (A beta), and a globular protein, ubiquitin(UBQ), have been carried out in aqueous media at 310 K. Detailed analyses were carried out to compare the microscopic properties of water molecules present in the hydration layers of these systems. It is notices that irrespective of the conformational heterogeneity among the A beta monomers, water molecules hydrating UBQ. Importantly, the conformational heterogeneity of the A beta monomers has been found to affect the translational and rotational motions of hydration water molecules in a nonuniform manner. Detailed investigation of the timescale of hydrogen bond relaxations at the surface and their energetics revealed the possibility of heterogeneous confinement around different A beta conformations. The distribution of water density fluctuation around A beta conformations are broader compared density fluctuation among the A beta monomers suggests that the structural propensities could affect the peptides effective surface hydrophobicity.

}, issn = {1520-6106}, doi = {10.1021/jp505629q}, author = {Jose, Jaya C. and Khatua, Prabir and Bansal, Nupur and Sengupta, Neelanjana and Bandyopadhyay, Sanjoy} } @article { ISI:000346656700045, title = {Molecular Insights into the dynamics of pharmacogenetically important N-terminal variants of the human beta(2)-adrenergic receptor}, journal = {Plos Computational Biology}, volume = {10}, number = {12}, year = {2014}, month = {DEC}, pages = {e1004006}, publisher = {PUBLIC LIBRARY SCIENCE}, address = {1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA}, abstract = {

The human beta(2)-adrenergic receptor (beta(2)AR), a member of the G-protein coupled receptor (GPCR) family, is expressed in bronchial smooth muscle cells. Upon activation by agonists, beta(2)AR causes bronchodilation and relief in asthma patients. The N-terminal polymorphism of beta(2)AR at the 16th position, Arg16Gly, has warranted a lot of attention since it is linked to variations in response to albuterol (agonist) treatment. Although the beta(2)AR is one of the well-studied GPCRs, the N-terminus which harbors this mutation, is absent in all available experimental structures. The goal of this work was to study the molecular level differences between the N-terminal variants using structural modeling and atomistic molecular dynamics simulations. Our simulations reveal that the N-terminal region of the Arg variant shows greater dynamics than the Gly variant, leading to differential placement. Further, the position and dynamics of the N-terminal region, further, affects the ligand binding-site accessibility. Interestingly, long-range effects are also seen at the ligand binding site, which is marginally larger in the Gly as compared to the Arg variant resulting in the preferential docking of albuterol to the Gly variant. This study thus reveals key differences between the variants providing a molecular framework towards understanding the variable drug response in asthma patients.

}, issn = {1553-734X}, doi = {10.1371/journal.pcbi.1004006}, author = {Shahane, Ganesh and Parsania, Chirag and Sengupta, Durba and Joshi, Manali} } @article { ISI:000342687200060, title = {Molecular investigations of protriptyline as a multi-target directed ligand in alzheimer{\textquoteright}s disease}, journal = {Plos One}, volume = {9}, number = {8}, year = {2014}, month = {AUG}, pages = {e105196}, publisher = {PUBLIC LIBRARY SCIENCE}, address = {1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA}, abstract = {

Alzheimer{\textquoteright}s disease (AD) is a complex neurodegenerative disorder involving multiple cellular and molecular processes. The discovery of drug molecules capable of targeting multiple factors involved in AD pathogenesis would greatly facilitate in improving therapeutic strategies. The repositioning of existing non-toxic drugs could dramatically reduce the time and costs involved in developmental and clinical trial stages. In this study, preliminary screening of 140 FDA approved nervous system drugs by docking suggested the viability of the tricyclic group of antidepressants against three major AD targets, viz. Acetylcholinesterase (AChE), beta-secretase (BACE-1), and amyloid beta (A beta) aggregation, with one member, protriptyline, showing highest inhibitory activity. Detailed biophysical assays, together with isothermal calorimetry, fluorescence quenching experiments, kinetic studies and atomic force microscopy established the strong inhibitory activity of protriptyline against all three major targets. The molecular basis of inhibition was supported with comprehensive molecular dynamics simulations. Further, the drug inhibited glycation induced amyloid aggregation, another important causal factor in AD progression. This study has led to the discovery of protriptyline as a potent multi target directed ligand and established its viability as a promising candidate for AD treatment.

}, issn = {1932-6203}, doi = {10.1371/journal.pone.0105196}, author = {Bansode, Sneha B. and Jana, Asis K. and Batkulwar, Kedar B. and Warkad, Shrikant D. and Joshi, Rakesh S. and Sengupta, Neelanjana and Kulkarni, Mahesh J.} } @article { ISI:000344470100036, title = {Molybdenum(VI) dioxo complexes for the epoxidation of allylic alcohols and olefins}, journal = {Journal of Organometallic Chemistry}, volume = {772}, year = {2014}, month = {DEC}, pages = {271-279}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Several molybdenum(VI) dioxo complexes have been investigated as catalyst precursors for allylic alcohol epoxidation using mainly hydrogen peroxide as oxidant. All catalysts proved to be efficient and selective for the epoxidation of allylic alcohols provided the olefins were rather electron rich. Indeed, electron poor substrates could be converted selectively into the corresponding unsaturated aldehydes. A chiral dioxomolybdenum complex based on an optically pure tridentate Schiff base ligand was synthesized and characterized. Though that complex provided an efficient epoxidation catalyst for allylic alcohols and olefins, no chiral induction was observed. During the X-ray diffraction analysis, the cooling at 100 K led to the appearance of super-lattice reflections on diffraction patterns reflecting an ordering of the structure. Instead of one organometallic species observed at 298 K, three similar complexes of the same molecular structure could be observed in the asymmetric unit at 100 K. (C) 2014 Elsevier B.V. All rights reserved.

}, keywords = {Allylic alcohol, epoxidation, Molybdenum, Oxidation, Peroxide}, issn = {0022-328X}, doi = {10.1016/j.jorganchem.2014.09.029}, author = {Pandhare, Swati L. and Jadhao, Rajesh R. and Puranik, Vedavati G. and Joshi, Pranaya V. and Capet, Frederic and Dongare, Mohan K. and Shubhangi B. Umbarkar and Michon, Christophe and Agbossou-Niedercorn, Francine} } @article { ISI:000330018400013, title = {Monitoring cellular uptake and cytotoxicity of copper(II) complex using a fluorescent anthracene thiosemicarbazone ligand}, journal = {Bioconjugate Chemistry}, volume = {25}, number = {1}, year = {2014}, month = {JAN}, pages = {102-114}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The thiosemicarbazone derivative of anthracene (ATSC, anthracene thiosemicarbazone I) and its copper(II) complex (CuATSC, 2) were synthesized and characterized by spectroscopic, electrochemical, and crystallographic techniques. Interaction of 1 and 2 with calf thymus (CT) DNA was explored using absorption and emission spectral methods, and viscosity measurements reveal a partial-intercalation binding mode. Their protein binding ability was monitored by the quenching of tryptophan emission using bovine serum albumin (BSA) as a model protein. Furthermore, their cellular uptake, in vitro cytotoxicity testing on the HeLa cell line, and flow cytometric analysis were carried out to ascertain the mode of cell death. Cell cycle analysis indicated that 1 and 2 cause cell cycle arrest in sub-G1 phase.

}, issn = {1043-1802}, doi = {10.1021/bc400385d}, author = {Kate, Anup N. and Kumbhar, Anupa A. and Khan, Ayesha A. and Joshi, Pranaya V. and Puranik, Vedavati G.} } @article { ISI:000340537000016, title = {New yeast isolate Pichia caribbica synthesizes xylolipid biosurfactant with enhanced functionality}, journal = {European Journal of Lipid Science and Technology}, volume = {116}, number = {8}, year = {2014}, month = {AUG}, pages = {1070-1079}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Sophorolipids (SL) belong to a class of glycolipidic biosurfactants suitable for a wide range of applications. The structural diversity in SL gives rise to variation in physicochemical and biological properties. To achieve the less explored head group diversity in sophorolipid structure, a new xylose fermenting yeast Pichia caribbica has been employed for biosurfactant production. The media and fermentation parameters have been optimized to achieve maximum yield of 7.48 g/L. The physicochemical properties of the xylolipid biosurfactant have been assessed. It reduced the surface tension of distilled water from 70 to 35.9 mN/m with the low critical micellar concentration (CMC) 1.0 mg/L as compared to typical SL (reported CMC range 40-100 mg/L). Structural characterization was done using FTIR and HR-MS to identify the structure. 17-L-[(beta-D-xylopyranosyl)-oxy]-Delta 9-heptadecanoic acid correlated to m/z 415 majorly constituted the product. Control experiment was performed in which glucose was provided as the hydrophilic carbon. This product was also subjected to HR-MS analysis to determine its chemical nature and found to be different from xylolipid. Presence of xylose as head group was anticipated to give altered physicochemical and biological activities and indeed a low CMC value and better inhibitory action was demonstrated against Staphylococcus aureus. Practical applications: Sophorolipids produced by microbial sources have several advantageous properties over commercial petroleum-based surfactants including biodegradability, environmentally friendly nature, and low toxicity. Here, we have attempted to modify the hydrophilic head group by incorporating xylose in place of glucose. This molecule will also behave differently in response to different stimuli. Stimuli-responsive surfactants are a class of compounds with applications in stabilization of emulsions, suspensions or foams, drug encapsulation and delivery, hard-surface cleaning, personal care applications.

}, keywords = {Antibacterial action, Critical micelle concentration, Pichia caribbica, Sophorolipid, Xylolipid}, issn = {1438-7697}, doi = {10.1002/ejlt.201300363}, author = {Joshi-Navare, Kasturi and Singh, Pradeep Kumar and Prabhune, Asmita} } @article { ISI:000344132400051, title = {Oligomer-salt derived 3D, heavily nitrogen doped, porous carbon for Li-ion hybrid electrochemical capacitors application}, journal = {Carbon}, volume = {80}, year = {2014}, month = {DEC}, pages = {462-471}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

3D high surface area porous carbon is seen to form via self assembly of porous graphene sheets by direct pyrolysis of an oligomer salt tailored for the realization of molecular level activation. The oligomer salt was derived from 4-amino benzoic acid as the monomer by a facile free radical polymerization process. Incorporation of the functional groups (-COONa) eliminate the need for any external activating agents (KOH, ZnCl2, etc.) and also render high degree of sub-nanoscale homogeneity. This oligomer derived carbon (ODC) exhibits efficient performance in non-aqueous charge storage application namely Li-ion hybrid electrochemical capacitor (Li-HEC) owing to its high surface area, 3D interconnectivity and an appropriate pore size distribution. The Li-HEC fabricated with ODC based electrodes delivered a maximum energy density of similar to 63 Wh kg(-1) with spinel L4Ti5O12 as the anode. (C) 2014 Elsevier Ltd. All rights reserved.

}, issn = {0008-6223}, doi = {10.1016/j.carbon.2014.08.086}, author = {Gokhale, Rohan and Aravindan, Vanchiappan and Yadav, Prasad and Jain, Srashti and Phase, Deodatta and Madhavi, Srinivasan and Ogale, Satishchandra} } @article { ISI:000329039000021, title = {Organocatalytic stereoselective approach to the total synthesis of (-)-halosaline}, journal = {RSC Advances}, volume = {4}, number = {7}, year = {2014}, month = {NOV}, pages = {3238-3244}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A practical and efficient organocatalytic approach to the synthesis of substituted piperidine alkaloids in high enantio- and diastereomeric excess was achieved using proline-catalyzed sequential alpha-aminoxylation/alpha-amination reaction and HWE olefination reaction of an aldehyde.

}, issn = {2046-2069}, doi = {10.1039/c3ra44700f}, author = {Jha, Vishwajeet and Kumar, Pradeep} } @article { ISI:000340446300061, title = {Photocatalytic H-2 evolution from water-methanol system by anisotropic InFeO3(ZnO)(m) oxides without cocatalyst in visible light}, journal = {ACS Applied Materials \& Interfaces}, volume = {6}, number = {15}, year = {2014}, month = {AUG}, pages = {12321-12327}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

InFeO3(ZnO)(m), series of oxides are found to give unprecedented H-2 evolution from water-methanol mixtures without using any cocatalysts. This family of compounds has an anisotropically layered structure in which Zn/FeOn polyhedra are sandwiched between InO6 octahedral layers. Local structure characterization by X-ray absorption spectroscopy reveals that Zn coordination changes from pentacoordinated to tetrahedral geometry across the series, whereas Fe geometry remains trigonal bipyramidal in all the compounds. This peculiar structure is conducive for a spatial separation of photogenerated charges reducing recombination losses. Band gap energies calculated from absorption spectra indicate potential visible light activity, and this may be due to the orbital mixing of Fe 3d and O 2p as revealed by pre-edge features of X-ray absorption spectra. Band positions are also advantageously placed for a visible light H-2 generation and is indeed found to be the case in methanol-assisted water splitting with standardized hydrogen evolution of similar to 19.5 mmol g(-1) h(-1) for all the catalysts.

}, keywords = {anisotropic structure, H-2 evolution, InFeO3(ZnO)(m), layered oxide, photocatalytic water splitting}, issn = {1944-8244}, doi = {10.1021/am501976z}, author = {Narendranath, Soumya B. and Yadav, Ashok Kumar and Bhattacharyya, Dibyendu and Jha, Shambhu Nath and Devi, R. Nandini} } @conference { ISI:000352795700039, title = {Photo-enhanced field emission studies of tapered CdS nanobelts}, booktitle = {2014 27th International Vacuum Nanoelectronics Conference (IVNC) }, series = {International Vacuum Nanoelectronics Conference}, year = {2014}, note = {27th International Vacuum Nanoelectronics Conference (IVNC), Engelberg, SWITZERLAND, JUL 06-10, 2014}, month = {JUL}, publisher = {Paul Scherrer Inst; EMPA, Mat Sci \& Technol; Swiss Nanoscience Inst; Appl MicroSWISS; Amer Elements; Amer Vacuum Soc; IEEE, Electron Devices Soc}, organization = {Paul Scherrer Inst; EMPA, Mat Sci \& Technol; Swiss Nanoscience Inst; Appl MicroSWISS; Amer Elements; Amer Vacuum Soc; IEEE, Electron Devices Soc}, address = {345 E 47th St, New York, NY 10017 USA}, abstract = {

Field emission and photo-enhanced field emission characteristics of single crystalline tapered CdS nanobelts have been investigated. The turn-on field for the emission current density of similar to 0.1 mu A/cm(2) is found to be similar to 2.1 V/mu m, which is much lower than reported values for various CdS nanostructures. The photo-enhanced field emission current shows a reproducible photo-switching behavior with rise in current level nearly four times that of its initial preset value (similar to 1 mu A) which is found to be very remarkable. Possible mechanism of photo-enhanced field emission is discussed.

}, keywords = {Current stability, field emission, Nanobelts, Photoswitching}, isbn = {978-1-4799-5306-6}, issn = {2164-2370}, author = {Chavan, Padmakar G. and More, Mahendra A. and Joag, Dilip S. and Badadhe, Satish S. and Mulla, Imtiaz S.}, editor = {Tsujino, S. and Gobrecht, J. and Paraliev, M. and Braun, H. H. and Groening, O. and Feurer, T.} } @conference {46367, title = {Photosensitive field emission study of SnS2 nanosheets (27th International Vacuum Nanoelectronics Conference )}, booktitle = {2014 27TH International Vacuum Nanoelectronics Conference (IVNC)}, year = {2014}, month = {JUL}, publisher = {Paul Scherrer Inst; EMPA, Mat Sci \& Technol; Swiss Nanoscience Inst; Appl MicroSWISS; Amer Elements; Amer Vacuum Soc; IEEE, Electron Devices Soc}, organization = {Paul Scherrer Inst; EMPA, Mat Sci \& Technol; Swiss Nanoscience Inst; Appl MicroSWISS; Amer Elements; Amer Vacuum Soc; IEEE, Electron Devices Soc}, address = {345 E 47TH ST, NEW YORK, NY 10017 USA}, abstract = {

SnS2 nanosheets (SnS(2)NSs), synthesized by one-step hydrothermal reaction, are subjected to Field Emission (FE) studies. For synthesis, specific concentrations of Na2SnO3 and thioamide solution are used. The FE study is carried out in all metal Ultra High Vacuum (UHV) chamber in planar diode configuration at a base pressure of similar to 10(-8) torr. A maximum current density of 110 mu A/cm(2) was attainable. The turn on field required to draw a current density of 1 mu A/cm(2) is found to be 2.6 V/mu m. A separate study was carried out to investigate the photosensitivity of the emitter by illuminating the specimen under visible light. In dark, the FN plot is non-linear, indicative of semiconductor nature of the emitter. However, on illumination, the FN plot is observed to be linear. This remarkable change can be explained by the photoconductivity imparted on illumination. The field at the tip is high in presence of light, than in dark, due to enhanced conductivity. It is also observed that on switching ON the light, the FE current increases almost instantaneously. Repetitive switching is observed at a fixed applied voltage, generating current pulses. The visible light soaking of the sample is carried out by illuminating the lamp for more than 100 minutes, where the current seems to saturate. On switching off the lamp the emission current decayed almost to its initial value exponentially. The photosensitivity has been studied for different wavelengths in the visible spectra. The maximum photosensitive field emission is observed for green filter. With this photoresponse, it is envisaged that SnS2 nanosheets are a potential candidate for optoelectronic applications of field emitters.

}, keywords = {field emission, photosensitivity, Photoswitching}, isbn = {978-1-4799-5306-6}, author = {Joshi, Padmashree D. and Joag, Dilip S. and Rout, Chandra Shekhar and Late, Dattatray J.}, editor = {Tsujino, S and Gobrecht, J and Paraliev, M and Braun, HH and Groening, O and Feurer, T} } @article {46370, title = {Plasmonic light harvesting of dye sensitized solar cells by Au-nanoparticle loaded TiO2 nanofibers}, journal = {Journal of Materials Chemistry A}, volume = {2}, year = {2014}, month = {FEB}, pages = {975-984}, type = {Article}, abstract = {

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

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

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

}, keywords = {HR-MS, Metabolite profiling, Napthalene derivatives, Plumbago zeylanica L., Polyketide synthase, Pyrones, Tobacco transgenics}, issn = {0031-9422}, doi = {10.1016/j.phytochem.2013.11.017}, author = {Jadhav, Supriya and Phapale, Prasad and Thulasiram, Hirekodathakallu V. and Bhargava, Sujata} } @article { ISI:000342525100047, title = {Preparation and characterization of porous fly ash/NiFe2O4 composite: promising adsorbent for the removal of congo red dye from aqueous solution}, journal = {Materials Chemistry and Physics}, volume = {148}, number = {1-2}, year = {2014}, month = {NOV}, pages = {371-379}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

A series of fly ash/NiFe2O4 composites were prepared using fly ash and aqueous solutions of Ni, Fe nitrate salts and NaOH by co-precipitation followed by calcination method. The \% mass ratio of fly ash: NiFe2O4 was varied in the range of 0:100 to 100:0. Samples were characterized by powder XRD, SEM, FTIR and N-2 adsorption-desorption measurements. These samples were further evaluated for their adsorptive performance in removal of Congo red (CR) dye from an aqueous solution. In all the composites, spinel nickel ferrite phase was found to be capable to get anchored with the fly ash surface and exhibited more crystalline nature as compared to pure NiFe2O4 phase. The BET surface area and porous character of the composite were found to increase with the decrease in the contribution of the fly ash, reach to maximum and then decreases on further decrease in fly ash. The composite having \% mass ratio of fly ash: NiFe2O4 = 50:50 exhibited maximum CR adsorption from the aqueous solution on account of the higher BET surface area, more porous character, favorable condition for diffusion of dye molecules and combined effect of chemisorption and physisorption. Under optimum conditions, it has shown the recyclability with adsorption capacity of the magnitude 23.33 mg g(-1), which is much higher than individual fly ash, NiFe2O4 and other composites. The sorption data provided good fit with pseudo-second order kinetic model. The analyses of the adsorption data indicated that, the Langmuir model provides better correlation with the experimental data. (C) 2014 Elsevier B.V. All rights reserved.

}, keywords = {Adsorption, Composite material, Electron microscopy (SEM), Inorganic compounds, powder diffraction, Precipitation}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2014.07.057}, author = {Sonar, Shilpa K. and Niphadkar, Prashant S. and Mayadevi, S. and Joshi, Praphulla N.} } @article { ISI:000334421100007, title = {Protein-coated polymer as a matrix for enzyme immobilization: immobilization of trypsin on bovine serum albumin-coated allyl glycidyl ether-ethylene glycol dimethacrylate copolymer}, journal = {Biotechnology Progress}, volume = {30}, number = {2}, year = {2014}, month = {MAR}, pages = {317-323}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Allyl glycidyl ether (AGE)-ethylene glycol dimethacrylate (EGDM) copolymer with 25\% crosslink density (AGE-25) shows excellent bovine serum albumin (BSA) adsorption (up to 16\% (w/w)) at pH 8.0 and the adsorbed BSA is strongly bound. This protein-coated polymer provides a novel matrix with naturally existing functional groups such as thiol, amino, and carboxylic acid that are available for covalent immobilization of functional enzymes. Employing appropriate strategies, trypsin as a model protein was covalently bound to BSA-coated matrix both independently, and in a stepwise manner on the same matrix, with less than 5\% loss of enzyme activity during immobilization. Glutaraldehyde crosslinking after immobilization provide stable enzyme preparation with activity of 510 units/g recycled up to six times without loss of enzyme activity. AFM studies reveal that the polymer surface has protein peaks and valleys rather than a uniform monolayer distribution of the protein and the immobilized enzyme preparation can best be described as polymer supported cross-linked enzyme aggregates (CLEAs). (c) 2014 American Institute of Chemical Engineers Biotechnol. Prog., 30:317-323, 2014

}, keywords = {allyl glycidyl ether, Bovine serum albumin, ethylene glycol dimethacrylate, Immobilization, Trypsin}, issn = {8756-7938}, doi = {10.1002/btpr.1871}, author = {Jasti, Lakshmi Swarnalatha and Dola, Sandhya Rani and Kumaraguru, Thenkrishnan and Bajja, Sreedhar and Fadnavis, Nitin W. and Addepally, Uma and Rajdeo, Kishor and Ponrathnam, Surendra and Deokar, Sarika Babasaheb} } @article {43330, title = {Proteomic analysis of human plasma in chronic rheumatic mitral stenosis reveals proteins involved in the complement and coagulation cascade}, journal = {Clinical Proteomics}, volume = {11}, year = {2014}, month = {SEP}, pages = {Article Number: 35}, abstract = {Background: Rheumatic fever in childhood is the most common cause of Mitral Stenosis in developing countries. The disease is characterized by damaged and deformed mitral valves predisposing them to scarring and narrowing (stenosis) that results in left atrial hypertrophy followed by heart failure. Presently, echocardiography is the main imaging technique used to diagnose Mitral Stenosis. Despite the high prevalence and increased morbidity, no biochemical indicators are available for prediction, diagnosis and management of the disease. Adopting a proteomic approach to study Rheumatic Mitral Stenosis may therefore throw some light in this direction. In our study, we undertook plasma proteomics of human subjects suffering from Rheumatic Mitral Stenosis (n = 6) and Control subjects (n = 6). Six plasma samples, three each from the control and patient groups were pooled and subjected to low abundance protein enrichment. Pooled plasma samples (crude and equalized) were then subjected to in-solution trypsin digestion separately. Digests were analyzed using nano LC-MSE. Data was acquired with the Protein Lynx Global Server v2.5.2 software and searches made against reviewed Homo sapiens database (UniProtKB) for protein identification. Label-free protein quantification was performed in crude plasma only. }, doi = {10.1186/1559-0275-11-35}, author = {Mukherjee, Somaditya and Jagadeeshaprasad, Mashanipalya G. and Banerjee, Tanima and Ghosh, Sudip K. and Biswas, Monodeep and Dutta, Santanu and Kulkarni, Mahesh J. and Pattari, Sanjib and Bandyopadhyay, Arun} } @article { ISI:000336045800018, title = {Rationalizing the role of structural motif and underlying electronic structure in the finite temperature behavior of atomic clusters}, journal = {Journal of Chemical Physics}, volume = {140}, number = {15}, year = {2014}, month = {APR}, pages = {154307}, publisher = {AMER INST PHYSICS}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {

Melting in finite size systems is an interesting but complex phenomenon. Many factors affect melting and owing to their interdependencies it is a challenging task to rationalize their roles in the phase transition. In this work, we demonstrate how structural motif of the ground state influences melting transition in small clusters. Here, we report a case with clusters of aluminum and gallium having same number of atoms, valence electrons, and similar structural motif of the ground state but drastically different melting temperatures. We have employed Born-Oppenheimer molecular dynamics to simulate the solid-like to liquid-like transition in these clusters. Our simulations have reproduced the experimental trends fairly well. Further, the detailed analysis of isomers has brought out the role of the ground state structure and underlying electronic structure in the finite temperature behavior of these clusters. For both clusters, isomers accessible before cluster melts have striking similarities and does have strong influence of the structural motif of the ground state. Further, the shape of the heat capacity curve is similar in both the cases but the transition is more spread over for Al-36 which is consistent with the observed isomerization pattern. Our simulations also suggest a way to characterize transition region on the basis of accessibility of the ground state at a specific temperature. (C) 2014 AIP Publishing LLC.

}, issn = {0021-9606}, doi = {10.1063/1.4871118}, author = {Susan, Anju and Joshi, Kavita} } @article { ISI:000342254500047, title = {Reaction between lawsone and aminophenol derivatives: synthesis, characterization, molecular structures and antiproliferative activity}, journal = {Journal of Molecular Structure}, volume = {1075}, year = {2014}, month = {OCT}, pages = {397-405}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Reaction between two bioreductive reactants lawsone (2-hydroxy-1,4-napthoquinone) and derivatives 2-aminophenol without catalyst is reported. The reaction between lawsone and 4-chloro-2-aminophenol leads to formation of red colored major product 1A:[2-[(5-chloro-hydroxyphenyl)amino]naphthalene-1,4-dione] and fluorescent orange colored minor compound 1B:[10-chloro-benzo[alpha]phenoxazine-5-one]. Molecular structure of 1A and 1B were determined by single crystal X-ray diffraction. Two mechanisms were proposed to the formation of red 1A and 1B. {\textquoteleft}Ortho-para{\textquoteright} tautomeric equilibrium was observed in DMSO-d(6) solution in 1A, which was revealed by H-1, C-13 NMR and LC-MS studies. Molecules of 1A formed dimers via N-H center dot center dot center dot O interaction and polymeric chain of dimers was formed by OH center dot center dot center dot O interactions. Cl center dot center dot center dot Cl interactions were observed between the polymeric chains of dimers in 1A. Molecules of 1B show Cl center dot center dot center dot N interaction. Antiproliferative properties is studied for 1A-5A compounds (obtained by the reaction of lawsone with 2-amino-4-methylpheno1;2A, 2-aminopheno1;3A, 3-aminophenol;4A and 4-aminophenol;5A) and evaluated against two cancer cell lines, THP1 (human monocytic leukemia cells) and COLO205 (colorectal adenocarcinoma) and one normal cell line, HEK293T (human embryonic kidney). The values of 50\% inhibitory concentration (IC50) of compounds 1A-5A was determined using XTT assay. The cytotoxic effects of compounds 2A and 3A were observed against COLO205 and compounds 4A and 5A on THP1 were observed to be higher in comparison to their effect on HEK293T cell lines. (C) 2014 Elsevier B.V. All rights reserved.

}, keywords = {Aminonaphthoquinone, Aminophenol, Benzo[alpha]phenoxazine, Cl center dot center dot center dot N interactions, Lawsone, pi-pi stacking interaction}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2014.07.007}, author = {Kathawate, Laxmi and Joshi, Pranya V. and Dash, Tapan Kumar and Pal, Sanjima and Nikalje, Milind and Weyhermueller, Thomas and Puranik, Vedavati G. and Konkimalla, V. Badireenath and Salunke-Gawali, Sunita} } @article { ISI:000327236600002, title = {Remarkable efficiency of a pin-II proteinase inhibitor sans two conserved disulfide bonds is due to enhanced flexibility and hydrogen bond density in the reactive site loop}, journal = {Journal of Biomolecular Structure \& Dynamics}, volume = {32}, number = {1}, year = {2014}, month = {JAN}, pages = {13-26}, publisher = {TAYLOR \& FRANCIS INC}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {

Capsicum annuum (L.) expresses diverse potato type II family proteinase inhibitors comprising of inhibitory repeat domain (IRD) as basic functional unit. Most IRDs contain eight conserved cysteines forming four disulfide bonds, which are indispensible for their stability and activity. We investigated the functional significance of evolutionary variations in IRDs and their role in mediating interaction between the inhibitor and cognate proteinase. Among the 18 IRDs encoded by C. annuum, IRD-7, -9, and -12 were selected for further characterization on the basis of variation in their reactive site loop, number of conserved cysteine residues, and higher theoretical G(bind) for interaction with Helicoverpa armigera trypsin. Moreover, inhibition kinetics showed that IRD-9, despite loss of some of the disulfide bonds, was a more potent proteinase inhibitor among the three selected IRDs. Molecular dynamic simulations revealed that serine residues in the place of cysteines at seventh and eighth positions of IRD-9 resulted in an increase in the density of intramolecular hydrogen bonds and reactive site loop flexibility. Results of the serine residues chemical modification also supported this observation and provided a possible explanation for the remarkable inhibitory potential of IRD-9. Furthermore, this natural variant among IRDs showed special attributes like stability to proteolysis and synergistic inhibitory effect on other IRDs. It is likely that IRDs have coevolved selective specialization of their structure and function as a response towards specific insect proteases they encountered. Understanding the molecular mechanism of pest protease-plant proteinaceous inhibitor interaction will help in developing effective pest control strategies.An animated interactive 3D complement (I3DC) is available in Proteopedia at http://proteopedia.org/w/Journal:JBSD:39

}, keywords = {Capsicum annuum, Helicoverpa armigera, Proteases, Proteinase inhibitor}, issn = {0739-1102}, doi = {10.1080/07391102.2012.745378}, author = {Joshi, Rakesh S. and Mishra, Manasi and Tamhane, Vaijayanti A. and Ghosh, Anirban and Sonavane, Uddhavesh and Suresh, C. G. and Joshi, Rajendra and Gupta, Vidya S. and Giri, Ashok P.} } @article { ISI:000343023900010, title = {Resistance through inhibition: ectopic expression of serine protease inhibitor offers stress tolerance via delayed senescence in yeast cell}, journal = {Biochemical and Biophysical Research Communications}, volume = {452}, number = {3}, year = {2014}, month = {SEP}, pages = {361-368}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

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

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

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

}, issn = {1466-5026}, doi = {10.1099/ijs.0.061390-0}, author = {Dastager, Syed Gulam and Mawlankar, Rahul R. and Tang, Shan-Kun and Krishnamurthi, Srinivasan and Ramana, V. Venkata and Joseph, Neeta and Shouche, Yogesh S.} } @article { ISI:000327155500005, title = {Role of additives in chiral amine-catalyzed direct aldol reaction}, journal = {Synthetic Communications}, volume = {44}, number = {3}, year = {2014}, month = {FEB}, pages = {352-360}, publisher = {TAYLOR \& FRANCIS INC}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {

A systematic study of chiral adducts derived from amines as catalysts for aldol reaction revealed that enantioselective outcome depends on the chiral enamine intermediate and not the face-selective activation of aldehyde. A simple addition compound of proline and 8-hydroxy quinoline was found to be a good catalyst. [Supplementary materials are available for this article. Go to the publisher{\textquoteright}s online edition of Synthetic Communications (R) for the following free supplemental resource(s): Full experimental and spectral details.]

}, keywords = {Additives, Aldol reaction, chiral amines, organocatalyst, pyrrolidine-catalyzed}, issn = {0039-7911}, doi = {10.1080/00397911.2013.805231}, author = {Sutar, R. L. and Joshi, Navalkishore N.} } @article { ISI:000336899800007, title = {Role of iron oxide impurities in electrocatalysis by multiwall carbon nanotubes: An investigation using a novel magnetically modified ITO electrodes}, journal = {Bulletin of Materials Science}, volume = {37}, number = {2}, year = {2014}, month = {APR}, pages = {221-226}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

The role of iron oxide impurities in the electrocatalytic properties of multiwall carbon nanotubes (MWCNTs) prepared by catalytic chemical vapour decomposition method (CCVD) is studied in detail. A novel magnetically modified electrodes have been developed by which MWCNTs were immobilized on indium-tin oxide (ITO) electrodes, without any chemical binders. The electro-catalytic oxidation of dopamine, and reduction of hydrogen peroxide have been studied by cyclic voltammetry on magnetically modified electrodes with (i) MWCNTs with occluded iron oxide impurities (Fe-MWCNTs), (ii) MWCNTs grown on iron oxide nanoparticle particulate films (Io-MWCNTs) and (iii) pristine iron oxide nanoparticle particulate film (Io-NPs). A shift towards less positive potentials for the oxidation of dopamine was observed which is in the order of Fe-MWCNTs \< Io-MWCNTs \< Io-NPs. Similarly, trend towards less negative potentials for the reduction of hydrogen peroxide was observed. Thus, the electrocatalytic activities displayed by MWCNTs have been attributed to the iron oxide impurities associated with it. The systematic variation was related to the nature of interaction of iron oxide nanoparticles with MWCNT surface.

}, keywords = {dopamine, Hydrogen peroxide, iron oxide nanoparticles, magnetically-modified electrode, Multiwall carbon nanotubes (MWCNTs)}, issn = {0250-4707}, author = {Samant, Kanchan M. and Joshi, Vrushali S. and Patil, Kashinath R. and Haram, Santosh K.} } @article { ISI:000340713100031, title = {Scaling up the shape: a novel growth pattern of gallium clusters}, journal = {Journal of Chemical Physics}, volume = {141}, number = {5}, year = {2014}, month = {AUG}, pages = {Article No. 054308}, publisher = {AMER INST PHYSICS}, type = {Article}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {

Putative global minima for Ga+N clusters with size {\textquoteleft}{\textquoteleft}N{\textquoteright}{\textquoteright} ranging from 49 to 70 are found by employing the Kohn-Sham formulation of the density functional theory, and their evolution is described and discussed in detail. We have discovered a unique growth pattern in these clusters, all of which are hollow core-shell structures. They evolve with size from one spherical core-shell to the next spherical core-shell structure mediated by prolate geometries, with an increase in overall diameter of the core, as well as the shell, without putting on new layers of atoms. We also present a complete picture of bonding in gallium clusters by critically analyzing the molecular orbitals, the electron localization function, and Bader charges. Bonding in these clusters is a mixture of metallic and covalent type that leans towards covalency, accompanied by marginal charge transfer from the surface to the core. Most molecular orbitals of Ga clusters are non-jellium type. Covalency of bonding is supported by a wide localization window of electron localization function, and joining of its basins along the bonds. (C) 2014 AIP Publishing LLC.

}, issn = {0021-9606}, doi = {10.1063/1.4891867}, author = {Kaware, Vaibhav and Joshi, Kavita} } @article { ISI:000330542900022, title = {Sequential electrochemical unzipping of single-walled carbon nanotubes to graphene ribbons revealed by in situ Raman spectroscopy and imaging}, journal = {ACS Nano}, volume = {8}, number = {1}, year = {2014}, month = {JAN}, pages = {234-242}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

We report an in situ Raman spectroscopic and microscopic investigation of the electrochemical unzipping of single-walled carbon nanotubes (SWNTs). Observations of the radial breathing modes (RBMs) using Raman spectral mapping reveal that metallic SWNTs are opened up rapidly followed by gradual unzipping of semiconducting SWNTs. Consideration of the resonant Raman scattering theory suggests that two metallic SWNTs with chiralities (10,4) and (12, 0) get unzipped first at a lower electrode potential (036 V) followed by the gradual unzipping of another two metallic tubes, (9, 3) and (10, 1), at a relatively higher potential (1.16 V). The semiconducting SWNTs with chiralities (11, 7) and (12, 5), however, get open up gradually at +/- 1.66 V. A rapid decrease followed by a subsequent gradual decrease in the metallicity of the SWNT ensemble as revealed from a remarkable variation of the peak width of the G band complies well with the variations of RBM. Cyclic voltammetry also gives direct evidence for unzipping in terms of improved capacitance after oxidation followed by more important removal of oxygen functionalities during the reduction step, as reflected in subtle changes of the morphology confirming the formation of graphene nanoribbons. The density functional-based tight binding calculations show additional dependence of chirality and diameter of nanotubes on the epoxide binding energies, which is in agreement with the Raman spectroscopic results and suggests a possible mechanism of unzipping determined by combined effects of the structural characteristics of SWNTs and applied field.

}, keywords = {density functional-based tight binding calculations, Electrochemistry, graphene, Raman spectral mapping, single-walled carbon nanotubes}, issn = {1936-0851}, doi = {10.1021/nn403289g}, author = {John, Robin and Shinde, Dhanraj B. and Liu, Lili and Ding, Feng and Xu, Zhiping and Vijayan, Cherianath and Pillai, Vijayamohanan K. and Pradeep, Thalappil} } @article { ISI: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: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:000336013600030, title = {Spectroscopic and antibacterial studies of new octaazamacrocyclic complexes derived from carbohydrazide and isatin}, journal = {Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy}, volume = {128}, year = {2014}, month = {JUL}, pages = {243-247}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A novel series of the macrocyclic complexes of the type: [M(C18H14N10O2)X-2], where M = Co(II), Ni(II), Cu(II) and Zn(II); X = Cl-, NO3- and CH3COO-, has been synthesized by template condensation of carbohydrazide and isatin in methanolic medium. The complexes were characterized by various physico-chemical techniques, such as elemental analyses, molar conductance measurements, magnetic measurements, and electronic, NMR, IR and EPR spectral studies. The low value of molar conductance indicates them to be non-electrolytes. Based on various studies, a distorted octahedral geometry was proposed for all the metal complexes. Metal complexes were tested for their in vitro antibacterial activities against some pathogenic bacterial strains and compared with standard antibiotic, Ciprofloxacin. Some of the tested complexes was found effective against Gram-positive bacterial strains. (C) 2014 Elsevier B.V. All rights reserved.

}, keywords = {Carbohydrazide, Isatin, Macrocyclic complexes, MIC, Template condensation}, issn = {1386-1425}, doi = {10.1016/j.saa.2014.02.128}, author = {Kumar, Krishan and Kamboj, Monika and Jain, Kiran and Singh, D. P.} } @article { ISI:000339494600024, title = {Stereoselective approach to 2,6-disubstituted piperidin-3-ol: synthesis of (-)-deoxoprosopinine and (+)-deoxoprosophylline}, journal = {European Journal of Organic Chemistry}, number = {22}, year = {2014}, month = {AUG}, pages = {4897-4902}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

A simple and highly efficient approach to an enantioenriched 2,6-disubstituted piperidin-3-ol skeleton is developed from an aldehyde as a starting material by using organocatalytic and asymmetric dihydroxylation as the key steps. Its application to the total synthesis of (-)-deoxoprosopinine and (+)-deoxoprosophylline is also reported.

}, keywords = {alkaloids, Amination, Amino alcohols, synthetic methods, Wittig reactions}, issn = {1434-193X}, doi = {10.1002/ejoc.201402363}, author = {Jha, Vishwajeet and Kauloorkar, Shruti Vandana and Kumar, Pradeep} } @article { ISI:000337129000023, title = {Stereoselective approach to indolizidine and pyrrolizidine alkaloids: total synthesis of (-)-lentiginosine, (-)-epi-lentiginosine and (-)-dihydroxypyrrolizidine}, journal = {Organic \& Biomolecular Chemistry}, volume = {12}, number = {25}, year = {2014}, month = {MAY}, pages = {4454-4460}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A simple and highly efficient approach to hydroxylated pyrrolizidine and indolizidine is developed from an aldehyde as a starting material using organocatalytic and asymmetric dihydroxylation reactions as key steps. Its application to the total synthesis of (-)-lentiginosine, (-)-epi-1,2-lentiginosine and (-)-dihydroxypyrrolizidine is also reported.

}, issn = {1477-0520}, doi = {10.1039/c4ob00461b}, author = {Kauloorkar, Shruti Vandana and Jha, Vishwajeet and Jogdand, Ganesh F. and Kumar, Pradeep} } @article { ISI:000338423600051, title = {Structure function attributes of gold nanoparticle vaccine association: effect of particle size and association temperature}, journal = {International Journal of Pharmaceutics}, volume = {471}, number = {1-2}, year = {2014}, month = {AUG}, pages = {439-448}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Many biotherapeutic applications of gold nanoparticles make use of conjugated or adsorbed protein moieties. Physical parameters of association such as particle size, morphology, surface chemistry and temperature influences the protein-nanoparticle association and thereby their interaction with the biological environment. In present study, effect of size of chitosan reduced gold nanoparticles (CsAuNPs) and association temperature on structure and function of tetanus toxoid (TT) vaccine has been investigated. CsAuNPs were synthesized in the sizes of 20 + 3, 40 + 5 and 80 + 7 nm followed by loading of TT. Binding process of CsAuNPs with TT was investigated at their predetermined micro molar concentrations. Upon binding of TT onto CsAuNPs, particle surface was characterized using X-ray photoelectron spectroscopy. CD spectroscopic evaluation of TT bound 20 nm CsAuNPs led to 75\% reduction in secondary structure of TT and thereby compromised immune function. Binding of TT with 40 and 80 nm sized CsAuNPs did not cause significant modifications in secondary structure or function of TT. Thermodynamic studies using temperature dependent fluorescence spectroscopy revealed an increase in association constants with the temperature. Based on thermodynamic data three phases in CsAuNPs and TT association process were traced. Samples from these distinct phases were also investigated for immunological recognition. Ex-vivo interaction of TT-CsAuNPs with TT positive and negative sera followed by relative change in particle size and zeta potential was studied. The findings here suggests prominent role of particle size and association temperature on adsorbed TT structure and function. Such studies may help in engineering functional nanotherapeutics. (C) 2014 Elsevier B.V. All rights reserved.

}, keywords = {Association thermodynamics, Gold nanoparticle, Nanoparticle protein interaction, Structure function studies, Vaccine formulation}, issn = {0378-5173}, doi = {10.1016/j.ijpharm.2014.06.002}, author = {Barhate, Ganesh A. and Gaikwad, Sushama M. and Jadhav, Suresh S. and Pokharkar, Varsha B.} } @article { ISI:000335660200006, title = {Studies on morphology of polyaniline films formed at liquid-liquid and solid-liquid interfaces at 25 and 5 A degrees C, respectively, and effect of doping}, journal = {Colloid and Polymer Science}, volume = {292}, number = {5}, year = {2014}, month = {MAY}, pages = {1079-1089}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

It is well accepted that the morphology of the nanomaterials has great effect on the properties and hence their applications. Therefore, morphology of materials has become a focus of research in the scientific world. The present study shows that interfacial polymerization and subsequent self-assembly provides a control over the morphology, nanorod/nanosheet, of polyaniline (PANI) films synthesized by liquid-liquid interface reaction technique and solid-liquid interface reaction technique. The synthesized PANI films and its particulate structure are characterized by using various spectroscopic techniques such as UV-visible, ATR-IR, Raman and XPS. The study confirmed the formation, the structure, the size and shape of particles and morphology of PANI by using analytical techniques namely, SAED, SEM and TEM. An important observation is that doping with HCl significantly improves the nanorod formation at the interface. The doped PANI electrode exhibits a higher area with rectangular shape in CV cycle and better cycle stability when compared with the performance of undoped PANI films. We believe that the results of these studies can give valuable leads to manoeuvre formation of PANI films with desired morphology for various applications.

}, keywords = {interfacial polymerization, Liquid-liquid interface, Nanorods, nanosheets, polyaniline, Self-assembly, Solid-liquid interface, Thin films}, issn = {0303-402X}, doi = {10.1007/s00396-013-3150-3}, author = {Waghmode, Babasaheb J. and Patil, Sagar H. and Jahagirdar, Mandar M. and Patil, Virendra S. and Waichal, Rupali P. and Malkhede, Dipalee D. and Sathaye, Shivaram D. and Patil, Kashinath R.} } @article { ISI:000329554400013, title = {Studies on the effect of sintering conditions on the magnetostriction characteristics of cobalt ferrite derived from nanocrystalline powders}, journal = {Journal of the European Ceramic Society}, volume = {34}, number = {3}, year = {2014}, month = {MAR}, pages = {677-686}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

The effect of sintering conditions on the magnetostriction characteristics of sintered cobalt ferrite derived from nanocrystalline powders is studied. It is observed that the magnetostriction coefficient as well as the slope of the magnetostriction as a function of field depends on the microstructure of the sintered product. There is a direct correlation between the magnetostriction characteristics and density as well as porosity of the sintered products. Intragranular pores are found to be strongly influencing the magnetostriction characteristics. Similarly, correlation is found between the magnetostriction parameters and the Curie temperature, indicating the role of cation distribution which affects the magnetic anisotropy. Sintering the compacts made from nanocrystalline powders at 1450 degrees C for a very short duration is found to give high values of magnetostriction coefficient. However, higher values of magnetostriction at low magnetic fields are obtained for samples sintered at lower temperatures for longer duration and having relatively lower density. (C) 2013 Elsevier Ltd. All rights reserved.

}, keywords = {Cobalt ferrite, Magnetostriction, Microstructure, Nanocrystalline, Sintering}, issn = {0955-2219}, doi = {10.1016/j.jeurceramsoc.2013.09.018}, author = {Mohaideen, Kamal Khaja and Joy, Pattayil Alias} } @article { ISI:000346624500001, title = {Study of base-catalyzed aldol reaction of trimethylsilyl enolates}, journal = {Indian Journal of Chemistry Section B-Organic Chemistry Including Medicinal Chemistry}, volume = {53}, number = {12}, year = {2014}, month = {DEC}, pages = {1553-1560}, publisher = {COUNCIL SCIENTIFIC \& INDUSTRIAL RES}, address = {ANUSANDHAN BHAWAN, 2 RAFI MARG, NEW DELHI, 110001, INDIA}, abstract = {

Mukaiyama-type aldol reaction of trimethylsilyl enolates with aldehydes in the presence of a base is a complicated reaction. It usually results in various products determined by the nature of base and reaction medium. The present study has been undertaken to understand these factors and design new Lewis base catalysts to optimize the yield of desired aldol product. It has been shown that mild Bronsted base with inbuilt hydrogen bonding sites are efficient catalysts for the reactions involving trimethylsilyl enolates. Based on the observed results, a mechanism is proposed to explain the reaction outcome.

}, keywords = {Aldol reaction, base catalyzed, carboxylate salts, lithium amides}, issn = {0376-4699}, author = {Sutar, R. L. and Joshi, Navalkishore N.} } @article { ISI: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:000338348000023, title = {Synthesis, characterization and photocatalytic behavior of TiO2-SiO2 mesoporous composites in hydrogen generation from water splitting}, journal = {Journal of Materials Science}, volume = {49}, number = {18}, year = {2014}, month = {SEP}, pages = {6383-6391}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

TiO2-SiO2 mesoporous composite photocatalysts with different proportions (in wt\%) of TiO2 and SiO2 (TiO2-SiO2 = 20:80, 40:60, 60:40, 80:20 and 100:0) were prepared by loading TiO2 on as-synthesized Si-MCM-41 using sol-gel method. The physicochemical properties of composites were investigated by powder X-ray diffraction, N-2 adsorption-desorption measurements, transmission electron microscopy and UV-Vis diffuse reflectance spectroscopy. It is revealed that the titanium species are dispersed as TiO2 having interaction with the surface of the support. Even at high TiO2 loading, the mesostructural feature of MCM-41 was found to be intact without pore blockages. The change in morphology of TiO2 particle was observed with increase in TiO2 loading which may be due to different environment for the growth of TiO2. The photocatalytic evaluation of composites was carried out in production of hydrogen by water splitting. Among the prepared samples, mesoporous composite containing 60 \% TiO2 (MTi60) has shown the best results (0.08805 mmol of H-2/h/g of TiO2) compared to other composite photocatalysts. The catalytic performance of this sample was further enhanced (similar to 8 times) after loading 1 \% Pt in water splitting (0.70161 mmol of H-2/h/g of TiO2). 1 \% Pt loaded on pure TiO2 (MTi100) showed hydrogen evolution of the magnitude 0.26 mmol of H-2/h/g of TiO2. TiO2-SiO2 mesoporous composite photocatalyst showed much higher activity (similar to 1.9 times) than amorphous silica-embedded titania catalyst having same composition.

}, issn = {0022-2461}, doi = {10.1007/s10853-014-8365-2}, author = {Niphadkar, P. S. and Chitale, S. K. and Sonar, S. K. and Deshpande, Suvarna S. and Joshi, P. N. and Awate, S. V.} } @conference { ISI:000358999700317, title = {To study non linear features in circadian heart rate variability amongst healthy subjects}, booktitle = {2014 International Conference on Advances in Computing, Communications and Informatics (ICACCI)}, year = {2014}, note = {3rd International Conference on Advances in Computing, Communications and Informatics (ICACCI), New Delhi, INDIA, SEP 24-27, 2014}, month = {SEP}, pages = {1921-1927}, publisher = {IEEE, 345 E 47th ST, New York, NY 10017 USA}, organization = {IEEE, 345 E 47th ST, New York, NY 10017 USA}, address = {New Delhi, India}, abstract = {

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

}, keywords = {Circadian Rhythm, Correlation Dimensions, DFA, ECG, HRV}, isbn = {978-1-4799-3080-7}, author = {Tajane, Kapil and Pitale, Rahul and Phadke, Leena and Joshi, Aniruddha and Umale, Jayant} } @article { ISI: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: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:000344906500001, title = {Way toward {\textquoteleft}{\textquoteleft}dietary pesticides{\textquoteright}{\textquoteright}: molecular investigation of insecticidal action of caffeic acid against helicoverpa armigera}, journal = {Journal of Agricultural and Food Chemistry}, volume = {62}, number = {45}, year = {2014}, month = {NOV}, pages = {10847-10854}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Bioprospecting of natural molecules is essential to overcome serious environmental issues and pesticide resistance in insects. Here we are reporting insights into insecticidal activity of a plant natural phenol. In silico and in vitro screening of multiple molecules supported by in vivo validations suggested that caffeic acid (CA) is a potent inhibitor of Helicoverpa armigera gut proteases. Protease activity and gene expression were altered in CA-fed larvae. The structure-activity relationship of CA highlighted that all the functional groups are crucial for inhibition of protease activity. Biophysical studies and molecular dynamic simulations revealed that sequential binding of multiple CA molecules induces conformational changes in the protease(s) and thus lead to a significant decline in their activity. CA treatment significantly inhibits the insect{\textquoteright}s detoxification enzymes, thus intensifying the insecticidal effect. Our findings suggest that CA can be implicated as a potent insecticidal molecule and explored for the development of effective dietary pesticides.

}, keywords = {Caffeic acid, Helicoverpa armigera, insecticidal activity, protease inhibitor}, issn = {0021-8561}, doi = {10.1021/jf503437r}, author = {Joshi, Rakesh S. and Wagh, T. P. and Sharma, N. and Mulani, Fayaj A. and Sonavane, U. and Thulasiram, H. V. and Joshi, Rakesh S. and Gupta, Vidya S. and Giri, Ashok P.} } @article { ISI: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: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 {42987, title = {Antimycobacterium activity of coumarins from fruit pulp of aegle marmelos (L.) correa}, journal = {International Journal of Basic and Applied Chemical Sciences}, volume = {5}, year = {2015}, month = {JUL}, pages = {39-44}, abstract = {

Phytochemical investigation of n-butanol fraction of acetone extract of Aegle marmelos fruit has afforded four compounds coumarins marmelosin (1), marmin (2) and xanthotoxol (3) and flavonoid kaempferol 3- O-rhamnoside, afzelin (4). All the isolated compounds were evaluated for their antimycobacterium activity against Mycobacterium tuberculosis H37Ra and Mycobacterium bovis. Compounds 1 and 2 exhibited antimycobacterium activity against M. tuberculosis H37Ra with an IC50 12.46 {\textmu}g/mL and 4.31 {\textmu}g/mL respectively whereas, at 100 {\textmu}g/mL, 62.5\% and 82.4\% growth inhibition of M. bovis was observed respectively. Compounds 1 and 2 were also evaluated against two gram positive bacteria Staphylococcus aureus, Bacillus subtilis and one gram negative bacteria Escherichia coli. Compound 1 at 100 {\textmu}g/mL, showed growth inhibition, 64.6\% and 74.9\% of E. coli and B. subtilis respectively.

}, author = {Chinchansure, Ashish A. and Shamnani, Neelam and Arkile, Manisha A. and Sarkar, Dhiman and Joshi, Swati P.} } @article { ISI:000355131800061, title = {Approach to modulate the sensing range of molecular transducers}, journal = {Sensors and Actuators B-Chemical}, volume = {216}, year = {2015}, month = {SEP}, pages = {461-466}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Transduction occurs upon binding of an analyte with a transducer. Specific binding involves the design and synthesis of receptors that is non trivial. Indeed, the task of designing a receptor for the smallest anion fluoride is very challenging. Herein, we take advantage of the basicity of fluoride ions that has affinity toward acidic proton. A commercially available 6-bromoisatin can sense fluoride ion in the concentration range of 0.5-3.9 ppm. Although the sensor is reaction based, the response is rapid. To further increase the linear range, dibromoisoindigo was synthesized. The linear range of this transducer was found to be between 0.5 ppm and 10.4 ppm. The transducer can be regenerated by adding proton source such as trifluoroacetic acid. Thus, transducers with variable sensing range have been designed and synthesized using acid base interaction. (C) 2015 Elsevier B.V. All rights reserved.

}, keywords = {Acidic proton, Basicity, Fluoride ion, Reversible sensor, Transducers}, issn = {0925-4005}, doi = {10.1016/j.snb.2015.04.061}, author = {Jain, Bhanprakash and Dharmapurikar, Satej S.} } @article { ISI:000356845000004, title = {Asymmetric transfer hydrogenation of imines in water by varying the ratio of formic acid to triethylamine}, journal = {Organic Letters}, volume = {17}, number = {12}, year = {2015}, month = {JUN}, pages = {2878-2881}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Asymmetric transfer hydrogenation (ATH) of imines has been performed with variation in formic acid (F) and triethylamine (T) molar ratios in water. The F/T ratio is shown to affect both the reduction rate and enantioselectivity, with the optimum ratio being 1.1 in the ATH of imines with the Rh-(1S,2S)-TsDPEN catalyst. Use of methanol as a cosolvent enhanced reduction activity. A variety of imine substrates have been reduced, affording high yields (94-98\%) and good to excellent enantioselectivities (89-98\%). In comparison with the common azeotropic F-T system, the reduction with 1.1/1 F/T is faster.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.5b00889}, author = {Shende, Vaishali S. and Deshpande, Sudhindra H. and Shingote, Savita K. and Joseph, Anu and Kelkar, Ashutosh A.} } @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:000361075900005, title = {Bacillus encimensis sp nov isolated from marine sediment}, journal = {International Journal of Systematic and Evolutionary Microbiology}, volume = {65}, number = {5}, year = {2015}, month = {MAY}, pages = {1421-1425}, publisher = {SOC GENERAL MICROBIOLOGY}, address = {MARLBOROUGH HOUSE, BASINGSTOKE RD, SPENCERS WOODS, READING RG7 1AG, BERKS, ENGLAND}, abstract = {

A Gram-stain-positive, rod-shaped, endospore-forming, aerobic bacterium designated SGD-V-25(T) was isolated from Veraval sediment sample, India. Strain SGD-V-25(T) was capable of growing at 25-50 degrees C (optimum 37 degrees C), pH 6-12 (optimum pH 7.0) and with 0-5 \% (w/v) NaCl. The taxonomic position of this strain was deduced using a polyphasic approach and the 16S rRNA gene sequence analysis showed that the isolate belongs to the phylum Firmicutes, forming the cluster with Bacillus badius MTCC 1548(T), with which it shares highest similarity of 99.1 \% with 13 nt differences. Other type strains of the genus Bacillus showed less than 96\% similarity. The cell wall contained meso-diaminopimelic acid as the diagnostic diamino acid. The polar lipid profile of strain SGD-V-25(T) showed the presence of diphosphatidylglycerol, phosphatidylglycerol, phsophoglycolipid and two aminophospholipids. The predominant isoprenoid quinone was MK-7. The major cellular fatty acids were iso-C-15:0, anteiso-C-15:0, anteiso-C-17:0 iso-C-16:0, C-16:1 omega 11c and C-16:0. The genomic DNA G + C content of strain SGD-V-25(T) was 37.6 molok. On the basis of phenotypic characteristics, phylogenetic analysis and DNA-DNA hybridization, strain SGD-V-25(T) could be clearly distinguished from closely related members of the genus Bacillus, and the name Bacillus encimensis sp. nov., is proposed to accommodate this strain. The type strain is SGD-V-25(T) (= NCIM 5513(T)=DSM 28241(T)).

}, issn = {1466-5026}, doi = {10.1099/ijs.0.000114}, author = {Dastager, Syed Gulam and Mawlankar, Rahul R. and Mual, Poonam and Verma, Ashish and Krishnamurthi, Srinivasan and Joseph, Neeta and Shouche, Yogesh S.} } @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:000346060400006, title = {Beta self-association and adsorption on a hydrophobic nanosurface: competitive effects and the detection of small oligomers via electrical response}, journal = {Soft Matter}, volume = {11}, number = {2}, year = {2015}, month = {OCT}, pages = {269-279}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Treatment of Alzheimer{\textquoteright}s disease (AD) is impeded by the lack of effective early diagnostic methods. Small, soluble A beta globulomers play a major role in AD neurotoxicity, and detecting their presence in aqueous fluids could lead to suitable sensors. We evaluate the adsorption behavior of small A beta oligomers on the surface of a single walled carbon nanotube of high curvature. While the intrinsic self-assembly propensity of A beta is markedly hindered by adsorption, the oligomeric units show high degrees of surface immobilization. Immobilized complexes are capable of oligomeric growth, but with a shifted monomer-oligomer equilibrium compared to the free states. In the presence of an ionic solution and suitable external electric fields, magnitudes of the current blockades are found to be sensitive to the oligomeric number of the adsorbed complex. However, this sensitivity gradually diminishes with increasing oligomeric size. The results provide a proof-of-concept basis for further investigations in the design of sensors for detecting the toxic small oligomers of A beta.

}, issn = {1744-683X}, doi = {10.1039/c4sm01845a}, author = {Jana, Asis K. and Sengupta, Neelanjana} } @article { ISI:000362920700039, title = {Bioinspired catecholic flame retardant nanocoating for flexible polyurethane foams}, journal = {Chemistry of Materials}, volume = {27}, number = {19}, year = {2015}, month = {OCT}, pages = {6784-6790}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

An efficient, environmentally friendly, and water-applied flame retardant surface nanocoating based on polydopamine (PDA) was developed for foamed materials such as polyurethane (PU). The PDA nanocoating, deposited by simple dip-coating in an aqueous dopamine solution, consists of a planar sublayer and a secondary granular layer structure that evolve together, eventually turning into a dense, uniform, and conformal layer on all foam surfaces. In contrast to flexible PU foams that are known to be highly flammable without flame retardant additives, micro combustion calorimetry (MCC) and thermogravimetric analysis (TGA) confirm that the neat PDA is relatively inflammable with a strong tendency to form carbonaceous, porous char that is highly advantageous for flame retardancy. By depositing nano coatings of PDA onto flexible PU foams, the flammability of the PU foam was significantly reduced with increasing coating thickness. For the thickest coating (3 days of PDA deposition), the foam quickly self-extinguished and its original shape was completely preserved after exposure to a flame in a torch burn test. In addition to the char forming ability of PDA, it is hypothesized that its catechol units likely scavenge nearby radicals that typically evolve additional fuel for the fire as they attack surrounding materials. This multiple flame retardancy action of PDA (i.e., char formation + radical scavenging) enables flame retardant foams with a peak heat release rate (P-HRR) that is significantly reduced (up to 67\%) relative to control foams, representing much better performance than many conventional additives reported in the literature at comparable or higher loadings.

}, issn = {0897-4756}, doi = {10.1021/acs.chemmater.5b03013}, author = {Cho, Joon Hee and Vasagar, Vivek and Shanmuganathan, Kadhiravan and Jones, Amanda R. and Nazarenko, Sergei and Ellison, Christopher J.} } @article { ISI:000348987700061, title = {Biomass derived beta-cyclodextrin-SO3H as a solid acid catalyst for esterification of carboxylic acids with alcohols}, journal = {RSC Advances}, volume = {5}, number = {17}, year = {2015}, month = {JAN}, pages = {12981-12986}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

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

}, issn = {2046-2069}, doi = {10.1039/c4ra16699j}, author = {Thombal, Raju S. and Jadhav, Amol R. and Jadhav, Vrushali H.} } @article { ISI:000350841100024, title = {Biophysical characterization and molecular docking studies of imidazolium based polyelectrolytes-DNA complexes: role of hydrophobicity}, journal = {Biomacromolecules}, volume = {16}, number = {3}, year = {2015}, month = {MAR}, pages = {894-903}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Nonviral gene delivery vectors are acquiring greater attention in the field of gene therapy by replacing the biological viral vectors. DNA-cationic polymer complexes are one of the most promising systems to find application in gene therapy. Hence, a complete insight of their biophysical characterization and binding energy profile is important in understanding the mechanism involved in nonviral gene therapy. In this investigation, the interaction between calf thymus DNA (ctDNA) and imidazolium-based poly(ionic liquids) (PILs) also known as polyelectrolytes with three different alkyl side chains (ethyl, butyl, and hexyl) in physiological conditions using various spectroscopic experiments with constant DNA concentration and varying polyelectrolyte concentrations is reported. UV-visible absorption, fluorescence quenching studies, gel electrophoresis, circular dichroism (CD), and Fourier transform infrared spectroscopy (FTIR) have confirmed the binding of polyelectrolytes with DNA. UV-vis absorption measurements and fluorescence quenching revealed that the binding between DNA and the polyelectrolyte is dominated by electrostatic interactions. Additionally, CD and FTIR results indicated that the DNA retained its B-form with minor perturbation in the phosphate backbone without significant change in the conformation of its base pairs. Preference for alkyl side chains (KPIL-Ethyl Br \< KPIL-Butyl Br \< KPIL-Hexyl Br) toward efficient binding between the polyelectrolyte and DNA was inferred from the binding and quenching constants calculated from the absorption and emission spectra, respectively. Further, in silico molecular docking studies not only validated the observed binding trend but also provided insight into the binding mode of the polyelectrolyte-DNA complex.

}, issn = {1525-7797}, doi = {10.1021/bm5018029}, author = {Manojkumar, Kasina and Charan, K. T. Prabhu and Sivaramakrishna, Akella and Jha, Prakash C. and Khedkar, Vijay M. and Siva, Ramamoorthy and Jayaraman, Gurunathan and Vijayakrishna, Kari} } @article { ISI:000356735300012, title = {Bio-physical evaluation and in vivo delivery of plant proteinase inhibitor immobilized on silica nanospheres}, journal = {Colloids and Surfaces B-Biointerfaces}, volume = {130}, year = {2015}, month = {JUN}, pages = {84-92}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Recombinant expression of Capsicum annuum proteinase inhibitors (CanPI-13) and its application via synthetic carrier for the crop protection is the prime objective of our study. Herein, we explored proteinase inhibitor peptide immobilization on silica based nanospheres and rods followed by its pH mediated release in vitro and in vivo. Initial studies suggested silica nanospheres to be a suitable candidate for peptide immobilization. Furthermore, the interactions were characterized biophysically to ascertain their conformational stability and biological activity. Interestingly, bioactive peptide loading at acidic pH on nanospheres was found to be 62\% and showed 56\% of peptide release at pH 10, simulating gut milieu of the target pest Helicoverpa armigera. Additionally, in vivo study demonstrated significant reduction in insect body mass (158 mg) as compared to the control insects (265 mg) on 8th day after feeding with CanPI-13 based silica nanospheres. The study confirms that peptide immobilized silica nanosphere is capable of affecting overall growth and development of the feeding insects, which is known to hamper fecundity and fertility of the insects. Our study illustrates the utility and development of peptide-nanocarrier based platform in delivering diverse biologically active complexes specific to gut pH of H. armigera. (C) 2015 Elsevier B.V. All rights reserved.

}, keywords = {Biodelivery, Helicovera armigera, Protein {\textquoteleft}corona{\textquoteright}, Proteinase inhibitor, Silica nanospheres}, issn = {0927-7765}, doi = {10.1016/j.colsurfb.2015.03.060}, author = {Khandelwal, Neha and Doke, Dhananjay S. and Khandare, Jayant J. and Jawale, Priyanka V. and Biradar, Ankush V. and Giri, Ashok P.} } @article { ISI:000352315600048, title = {Biosynthesis of silver nanoparticles by using ganoderma-mushroom extract}, journal = {Modern Physics Letters B}, volume = {29}, number = {6-7, SI}, year = {2015}, month = {MAR}, pages = {1540047}, publisher = {WORLD SCIENTIFIC PUBL CO PTE LTD}, address = {5 TOH TUCK LINK, SINGAPORE 596224, SINGAPORE}, abstract = {

Present study reports the biochemical synthesis of silver nanoparticles (Ag-NPs) from aqueous medium by using the extract of medicinal mushroom Ganoderma, as a reducing and stabilizing agents. The Ag-NPs are prepared at room temperature by the reduction of Ag+ to Ag in aqueous solution of AgNO3. The resultant particles are characterized by using UV-visible spectroscopy, Fourier transform infrared (FTIR) spectroscopy and transmission electron microscopy (TEM) measurement techniques. The formation of Ag-NPs is confirmed by recording the UV-visible absorption spectra for surface plasmon resonance (SPR) where peak around 427 nm. The prominent changes observed in FTIR spectra supported the reduction of Ag+ to Ag. The morphological features of Ag-NPs are evaluated from HRTEM. The spherical Ag-NPs are observed in transmission electron microscopy (TEM) studies. The particle size distribution is found to be nearly uniform with average particle size of 2 nm. The Ag-NPs aged for 15, 30, 60 and 120 days showed no profound effect on the position of SPR peak in UV-visible studies, indicating the protecting/capping ability of medicinal mushroom Ganoderma in the synthesis of AgNPs.

}, keywords = {Biosynthesis, Ganoderma, medicinal mushroom, silver nanoparticles, UV-visible spectroscopy}, issn = {0217-9849}, doi = {10.1142/S0217984915400473}, author = {Ekar, S. U. and Khollam, Y. B. and Koinkar, Pankaj M. and Mirji, S. A. and Mane, R. S. and Naushad, M. and Jadhav, S. S.} } @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:000359885900003, title = {Carbon-carbon bond forming reactions: application of covalently anchored 2,4,6-triallyloxy-1,3,5-triazine (TAT) Pd(II) complex over modified surface of SBA-15 to Heck, Suzuki, Sonogashira and Hiyama cross coupling reactions}, journal = {Catalysis Communications}, volume = {69}, year = {2015}, month = {SEP}, pages = {11-15}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A highly active SBA-15-TAT-Pd(II) catalyst was synthesized from organofunctionalized SBA-15 and 2,4,6-triallyloxy-1,3,5-triazine. The catalyst was employed in carrying out Heck, {\textquoteleft}{\textquoteleft}copper-free{\textquoteright}{\textquoteright} Sonogashira, Suzuki and Hiyama cross coupling reactions. Under the optimized conditions the catalyst displays excellent catalytic activity in delivering the desired products in good to excellent yields. The catalytic system exhibited superior activity regarding the time taken for the completion of reaction, isolation, Pd loading (0.62 mmol\%) and yields of products as compared to the earlier reported heterogeneous SBA-15 anchored Pd catalysts. The catalyst could be recycled and reused for five times without any appreciable loss of catalytic activity. (C) 2015 Elsevier B.V. All rights reserved.

}, keywords = {Heck, Hiyama, SBA-15-TAT-Pd(II) catalyst, Sonogashira, Suzuki}, issn = {1566-7367}, doi = {10.1016/j.catcom.2015.05.013}, author = {Singh, Chandani and Jawade, Kiran and Sharma, Priti and Singh, Anand P. and Kumar, Pradeep} } @article {43015, title = {Carboxymethyl cellulose based multifunctional targeted drug delivery platform for pancreatic cancer: nanotheranostic potential and biocompatibility analysis}, journal = {World Journal of Pharmaceutical Sciences}, volume = {3}, year = {2015}, month = {JUL}, pages = {1347-1359}, author = {Joshi, Preeti Nigam and Wangnoo, Shishanka and Louis, Michelle} } @article { ISI:000361402900006, title = {Cathepsins of lepidopteran insects: aspects and prospects}, journal = {Insect Biochemistry and Molecular Biology}, volume = {64}, year = {2015}, month = {SEP}, pages = {51-59}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Molecular understanding of lepidopteran physiology has revealed that proteases consist of one of the central regulatory/reacting system for insect growth and survival. Among the various proteases, cathepsins are the most crucial cellular proteases, which play vital roles during insect development. In the present review, we have discussed various aspects of the lepidopteran insect cathepsins, emphasizing their roles in processes like development, growth, metamorphosis, apoptosis and immunity. Cathepsins are categorized into different types on the basis of their sequence diversification, leading to variation in structure and catalytic function. Cathepsins exhibit tissue and stage specific expression pattern which is fine-tuned by a delicate balance of expression, compartmentalization, zymogen activation, inhibition by protein inhibitors and degradation. The indispensability of cathepsins as cellular proteases in the above mentioned processes proposes them as novel targets for designing effective and specific insect controlling strategies. (C) 2015 Elsevier Ltd. All rights reserved.

}, keywords = {Apoptosis, Cathepsin, Cysteine/aspartate protease, Development, Lepidoptera, Pest control, Stress response}, issn = {0965-1748}, doi = {10.1016/j.ibmb.2015.07.005}, author = {Saikhedkar, Nidhi and Summanwar, Aarohi and Joshi, Rakesh S. and Giri, Ashok P.} } @article { ISI:000357034800003, title = {Cell line development for biomanufacturing processes: recent advances and an outlook}, journal = {Biotechnology Letters}, volume = {37}, number = {8}, year = {2015}, month = {AUG}, pages = {1553-1564}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

At the core of a biomanufacturing process for recombinant proteins is the production cell line. It influences the productivity and product quality. Its characteristics also dictate process development, as the process is optimized to complement the producing cell to achieve the target productivity and quality. Advances in the past decade, from vector design to cell line screening, have greatly expanded our capability to attain producing cell lines with certain desired traits. Increasing availability of genomic and transcriptomic resources for industrially important cell lines coupled with advances in genome editing technology have opened new avenues for cell line development. These developments are poised to help biosimilar manufacturing, which requires targeting pre-defined product quality attributes, e.g., glycoform, to match the innovator{\textquoteright}s range. This review summarizes recent advances and discusses future possibilities in this area.

}, keywords = {Biomanufacturing, Biosimilars, Cell line development, CHO cells genomics, Genome editing, Transcriptomics}, issn = {0141-5492}, doi = {10.1007/s10529-015-1843-z}, author = {Le, Huong and Vishwanathan, Nandita and Jacob, Nitya M. and Gadgil, Mugdha and Hu, Wei-Shou} } @article { 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 {42991, title = {Chemical utilisation of CO2 a challenge for the sustainable world}, journal = {Resonance}, volume = {20}, year = {2015}, month = {FEB}, pages = {165{\textendash}176}, abstract = {

We derive more than 80\% of our energy and chemicals from fossil fuels such as oil, coal and natural gas. Depleting resources and environmental pollution are forcing us to look for alternative resources. Carbon dioxide (CO2), which is produced in large quantities, could be recycled to chemical feedstocks.

}, doi = {10.1007/s12045-015-0163-x}, author = {Jagadeesan, Dinesh and Joshi, Bhaskar and Parameswaran, Prashant} } @article { ISI:000360510700002, title = {Chiral aziridine ring opening: facile synthesis of (R)-modletine and (R)-phenoxybenzamine hydrochloride}, journal = {Tetrahedron Letters}, volume = {56}, number = {38}, year = {2015}, month = {SEP}, pages = {5269-5271}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A simple and efficient synthesis of chiral drugs (R)-mexiletine 1, an anti-arrhythmic drug and (R)-phenoxybenzamine hydrochloride 2, an anti-hypertensive drug has been described via controlled reductive ring opening of chiral aziridine as a key step. The target compounds 1 and 2 were obtained in overall yields of 34\% and 10.5\%, respectively. (C) 2015 Elsevier Ltd. All rights reserved.

}, keywords = {Aziridine, Mexiletine, Phenoxybenzamine}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2015.07.032}, author = {Viswanadh, N. and Velayudham, R. and Jambu, S. and Sasikumar, M. and Muthukrishnan, Murugan} } @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 {42914, title = {Citrate modified beta-cyclodextrin functionalised magnetite nanoparticles: a biocompatible platform for hydrophobic drug delivery}, journal = {RSC Advances}, volume = {5}, year = {2015}, month = {FEB}, pages = {22117-22125}, abstract = {

Water-dispersible magnetite nanoparticles functionalized with citric acid (CIT) modified beta-cyclodextrin (CD) are prepared and curcumin (CUR) is loaded inside the cavity of CD. The CUR loading capacity of CD-CIT functionalized magnetite nanoparticles is found to be much larger than that of CD alone as well as the CD-CIT conjugate. The release profile of curcumin is found to follow zero order kinetics at the physiological pH, and thus, can release CUR at a constant rate, after the initial burst release. Relaxivity studies using NMR showed that the functionalized nanoparticles are suitable for contrast enhancement in MRI. Thus, the water-dispersible, CIT modified beta-CD functionalized magnetite nanofluid is an efficient carrier for water insoluble curcumin, and can be used for magnetic drug targeting/delivery as well as for contrast enhancement in MRI due to the superparamagnetic magnetite core.

}, author = {Jayaprabha, Kunnoth N. and Joy, Pattayil Alias} } @article {42632, title = {Clerodane type diterpene as a novel antifungal agent from polyalthia longifolia var. pendula}, journal = {European Journal of Medicinal Chemistry}, volume = {94}, year = {2015}, month = {FEB}, pages = {1{\textendash}7}, abstract = {

Bioactivity-guided chemical examination of methanolic extract of leaves of Polyalthia longifolia var. pendula led to the isolation of the active constituent, a diterpene 1 which was identified as 16α-hydroxycleroda-3,13(14)Z-dien-15,16-olide on the basis of its spectral data. Among the tested strains, diterpene 1 was found to exhibit antifungal activities having MIC90 values of 50.3, 100.6 and 201.2 μM against Candida albicans NCIM3557, Cryptococcus neoformans NCIM3542 (human pathogens) and Neurospora crassa NCIM870 (saprophyte), respectively. Initial, structure{\textendash}activity-relationship (SAR) data generated by synthesizing some derivatives revealed that the double bond between C3{\textendash}C4 and the free hydroxyl group at C16 are crucial for the antifungal activity of the diterpene 1. The mode of action of 1 in C. albicans is due to compromised cell membrane permeability and also probably due to disruption of cell wall structures. The red blood cell haemolysis of all the compounds (1{\textendash}4) did not show any significant haemolysis and was found to be less than 15\% for all the compounds when tested at highest concentration, i.e. 1200 μM. Interestingly, all the tested compounds inhibited Y{\textendash}H transition in dimorphic C. albicans NCIM3557 at much lower concentration than their MIC90 values. Determination of ROS generation by diterpene 1 using DCFH-DA and DHR123 (dihydrorhodamine) staining of C. albicans NCIM3557 indicated production of intracellular ROS as a mechanism of antifungal activity.

}, keywords = {Diterpene; Polyalthia longifolia; Isolation; Flash chromatography; Natural products; Antifungal activity}, doi = {10.1016/j.ejmech.2015.02.054}, author = {Bhattacharya, Asish K. and Chand, Hemender R. and John, Jyothis and Deshpande, Mukund V.} } @article { ISI:000352745300007, title = {Cloning, expression and in silico studies of a serine protease from a marine actinomycete (Nocardiopsis sp NCIM 5124)}, journal = {Process Biochemistry}, volume = {50}, number = {3}, year = {2015}, month = {MAR}, pages = {378-387}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

A serine protease (N. protease), from Nocardiopsis sp., was cloned and expressed in Escherichia coli and investigated for its potential kinetic stability. Protein expression using two vectors, pET-22b (+) and pET-39b (+) was compared based on proper folding and soluble expression of the protein. pET-39b (+) was found to be a better vector for soluble expression of this protease containing disulfide bonds. In silico studies were also carried out for N. protease. Homology modeling suggested N. protease to be a member of PA clan of proteases. The phylogenetic analysis showed relatedness of N. protease to kinetically stable proteases. Molecular docking studies performed exhibited interaction of a peptide substrate with catalytic pocket of the enzyme. High temperature MD simulations were performed on N. protease to study its unfolding behavior and comparisons were made with alpha LP. A novel approach to study {\textquoteleft}cooperativity{\textquoteright} of protein unfolding was undertaken, wherein {\textquoteleft}P{\textquoteright} value analysis based on phi and psi values of the protein was performed. Data showed sharper P value transition for alpha LP when compared to N. protease thus indicating relatively less kinetic stability of N. protease. Present study holds significance as the non-streptomycete actinomycetes group is least explored and ensures industrially important enzymes with exceptional stabilities. (C) 2015 Elsevier Ltd. All rights reserved.

}, keywords = {Actinomycetes, Cloning and expression, Kinetic stability, Protease, Thermal simulation}, issn = {1359-5113}, doi = {10.1016/j.procbio.2014.12.025}, author = {Rohamare, Sonali and Gaikwad, Sushama M. and Jones, Dafydd and Bhavnani, Varsha and Pal, Jayanta and Sharma, Ranu and Chatterjee, Prathit} } @article { ISI: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:000361866400009, title = {Continuous-flow nitration of o-xylene: effect of nitrating agent and feasibility of tubular reactors for scale-up}, journal = {Organic Process Research \& Development}, volume = {19}, number = {9, SI}, year = {2015}, month = {SEP}, pages = {1138-1147}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Continuous-flow nitration of o-xylene has been studied with different nitrating agents over a wide range of conditions for different parameters such as temperature, residence time, and concentrations. A nitrating mixture comprising sulfuric acid and fuming nitric acid was seen to yield higher selectivity for the isomer 1,2-dimethyl-3-nitrobenzene over the isomer 1,2-dimethyl-4-nitrobenzene and also a non-negligible quantity of dinitro derivatives of o-xylene. With only fuming nitric acid as the nitrating agent, the reaction was selective for 1,2-dimethyl-4-nitrobenzene over 1,2-dimethyl-3-nitrobenzene. Impurities mainly come from nitration of mononitro derivatives, and this occurs more from nitration of the 3-nitro isomer because of its higher reactivity with nitric acid. An economic analysis of the continuous-flow reactor for the production of 1,2-dimethyl-4-nitrobenzene at 100 and 500 kg/h in a jacketed tubular reactor showed that numbering-up is a more economical approach for higher production capacity. A combination of large- and small-sized tubes depending upon the relative rates of heat generation during a reaction will achieve more profit and a shorter payback period than having the entire reactor made of a single tube size.

}, issn = {1083-6160}, doi = {10.1021/acs.oprd.5b00064}, author = {Sharma, Y. and Joshi, Ramesh A. and Kulkarni, A. A.} } @article {42898, title = {Correlations between structure, microstructure, density and dielectric properties of the lead-free ferroelectrics Bi0.5(Na,K)0.5TiO3}, journal = {Journal of Advanced Dieletrics}, volume = {5}, year = {2015}, month = {NOV}, pages = {1550028 Page 1-6}, doi = {10.1142/S2010135X15500289}, author = {Anjali, K. and Ajithkumar, Thalasseril G. and Joy, Pattayil Alias} } @article { ISI:000366339700024, title = {Cosolvent effects on solute-solvent hydrogen-bond dynamics: ultrafast 2D IR investigations}, journal = {Journal of Physical Chemistry B}, volume = {119}, number = {49}, year = {2015}, month = {DEC}, pages = {15334-15343}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Cosolvents strongly influence the solute-solvent interactions of biomolecules in aqueous environments and have profound effects on the stability and activity of several proteins and enzymes. Experimental studies have previously reported on the hydrogen-bond dynamics of water molecules in the presence of a cosolvent, but understanding the effects from a solute{\textquoteright}s perspective could provide greater insight into protein stability. Because carbonyl groups are abundant in biomolecules, the current study used 2D IR spectroscopy and molecular dynamics simulations to compare the hydrogen-bond dynamics of the solute{\textquoteright}s carbonyl group in aqueous solution, with and without the presence of DMSO as a cosolvent. 2D IR spectroscopy was used to quantitatively estimate the time scales of the hydrogen-bond dynamics of the carbonyl group in neat water and 1:1 DMSO/water solution. The 2D IR results show spectral signatures of a chemical exchange process: The presence of the cosolvent was found to lower the hydrogen-bond exchange rate by a factor of 5. The measured exchange rates were 7.50 X 10(11) and 1.48 X 10(11) s(-1) in neat water and 1:1 DMSO/water, respectively. Molecular dynamics simulations predict a significantly shorter carbonyl hydrogen-bond lifetime in neat water than in 1:1 DMSO/water and provide molecular insights into the exchange mechanism. The binding of the cosolvent to the solute was found to be accompanied by the release of hydrogen-bonded water molecules to the bulk. The widely different hydrogen-bond lifetimes and exchange rates with and without DMSO indicate a significant change in the ultrafast hydrogen-bond dynamics in the presence of a cosolvent, which, in turn, might play an important role in the stability and activity of biomolecules.

}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.5b08643}, author = {Kashid, Somnath M. and Jin, Geun Young and Bagchi, Sayan and Kim, Yung Sam} } @article { ISI: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:000358837400009, title = {Development of diagnostic fragment ion library for glycated peptides of human serum albumin: targeted quantification in prediabetic, diabetic, and microalbuminuria plasma by parallel reaction monitoring, SWATH, and MSE}, journal = {Molecular \& Cellular Proteomics}, volume = {14}, number = {8}, year = {2015}, month = {AUG}, pages = {2150-2159}, publisher = {AMER SOC BIOCHEMISTRY MOLECULAR BIOLOGY INC}, address = {9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3996 USA}, abstract = {

Human serum albumin is one of the most abundant plasma proteins that readily undergoes glycation, thus glycated albumin has been suggested as an additional marker for monitoring glycemic status. Hitherto, only Amadori-modified peptides of albumin were quantified. In this study, we report the construction of fragment ion library for Amadori-modified lysine (AML), N(epsilon)-(carboxymethyl) lysine (CML)-, and N(epsilon)-(carboxyethyl) lysine (CEL)-modified peptides of the corresponding synthetically modified albumin using high resolution accurate mass spectrometry (HR/AM). The glycated peptides were manually inspected and validated for their modification. Further, the fragment ion library was used for quantification of glycated peptides of albumin in the context of diabetes. Targeted Sequential Window Acquisition of all THeoretical Mass Spectra (SWATH) analysis in pooled plasma samples of control, prediabetes, diabetes, and microalbuminuria, has led to identification and quantification of 13 glycated peptides comprised of four AML, seven CML, and two CEL modifications, representing nine lysine sites of albumin. Five lysine sites namely K549, K438, K490, K88, and K375, were observed to be highly sensitive for glycation modification as their respective m/z showed maximum fold change and had both AML and CML modifications. Thus, peptides involving these lysine sites could be potential novel markers to assess the degree of glycation in diabetes.

}, issn = {1535-9476}, doi = {10.1074/mcp.M115.050518}, author = {Korwar, Arvind M. and Vannuruswamy, Garikapati and Jagadeeshaprasad, Mashanipalya G. and Jayaramaiah, Ramesha H. and Bhat, Shweta and Regin, Bhaskaran S. and Ramaswamy, Sureshkumar and Giri, Ashok P. and Mohan, Viswanathan and Balasubramanyam, Muthuswamy and Kulkarni, Mahesh J.} } @article { ISI:000365930800010, title = {Development of newer adsorbents: activated carbons derived from carbonized cassia fistula}, journal = {Industrial \& Engineering Chemistry Research}, volume = {54}, number = {47}, year = {2015}, month = {DEC}, pages = {11844-11857}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Development of newer adsorbent materials, especially from biomass, is most crucial to sustain growth of otherwise well established adsorption processes that already have hundreds of commercial adsorbents in practice. In the present study, newer adsorbents and their potential-carbonaceous adsorbents derived from the whole fruit of Cassia fistula (Golden shower) have been reported for applications in environmental pollution control using natural, renewable biomass as precursor. The potential of different forms of the derived adsorbents produced by thermal and chemical activation was examined for two representative cases, desulfurization of transportation fuels and wastewater treatment. The adsorbents were characterized by FTIR, XRD, XPS, and SEM techniques that indicate specific characteristics useful as an adsorbent. A successful application in the real industrial wastewater treatment and comparison with well recognized commercial adsorbents clearly highlights the utility of the developed newer adsorbents in separation science and technology.

}, issn = {0888-5885}, doi = {10.1021/acs.iecr.5b02945}, author = {Sorokhaibam, Laxmi Gayatri and Bhandari, Vinay M. and Salvi, Monal S. and Jain, Saijal and Hadawale, Snehal D. and Ranade, Vivek V.} } @article { ISI:000361601100191, title = {Dissecting leishmania infantum energy metabolism - a systems perspective}, journal = {Plos One}, volume = {10}, number = {9}, year = {2015}, month = {SEP}, pages = {Article Number: e0137976}, publisher = {PUBLIC LIBRARY SCIENCE}, address = {1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA}, abstract = {

Leishmania infantum, causative agent of visceral leishmaniasis in humans, illustrates a complex lifecycle pertaining to two extreme environments, namely, the gut of the sandfly vector and human macrophages. Leishmania is capable of dynamically adapting and tactically switching between these critically hostile situations. The possible metabolic routes ventured by the parasite to achieve this exceptional adaptation to its varying environments are still poorly understood. In this study, we present an extensively reconstructed energy metabolism network of Leishmania infantum as an attempt to identify certain strategic metabolic routes preferred by the parasite to optimize its survival in such dynamic environments. The reconstructed network consists of 142 genes encoding for enzymes performing 237 reactions distributed across five distinct model compartments. We annotated the subcellular locations of different enzymes and their reactions on the basis of strong literature evidence and sequence-based detection of cellular localization signal within a protein sequence. To explore the diverse features of parasite metabolism the metabolic network was implemented and analyzed as a constraint-based model. Using a systems-based approach, we also put forth an extensive set of lethal reaction knockouts; some of which were validated using published data on Leishmania species. Performing a robustness analysis, the model was rigorously validated and tested for the secretion of overflow metabolites specific to Leishmania under varying extracellular oxygen uptake rate. Further, the fate of important non-essential amino acids in L. infantum metabolism was investigated. Stage-specific scenarios of L. infantum energy metabolism were incorporated in the model and key metabolic differences were outlined. Analysis of the model revealed the essentiality of glucose uptake, succinate fermentation, glutamate biosynthesis and an active TCA cycle as driving forces for parasite energy metabolism and its optimal growth. Finally, through our in silico knockout analysis, we could identify possible therapeutic targets that provide experimentally testable hypotheses.

}, issn = {1932-6203}, doi = {10.1371/journal.pone.0137976}, author = {Subramanian, Abhishek and Jhawar, Jitesh and Sarkar, Ram Rup} } @article { ISI:000360889600001, title = {Ecological turmoil in evolutionary dynamics of plant-insect interactions: defense to offence}, journal = {Planta}, volume = {242}, number = {4}, year = {2015}, month = {OCT}, pages = {761-771}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Available history manifests contemporary diversity that exists in plant-insect interactions. A radical thinking is necessary for developing strategies that can co-opt natural insect-plant mutualism, ecology and environmental safety for crop protection since current agricultural practices can reduce species richness and evenness. The global environmental changes, such as increased temperature, CO (2) and ozone levels, biological invasions, land-use change and habitat fragmentation together play a significant role in re-shaping the plant-insect multi-trophic interactions. Diverse natural products need to be studied and explored for their biological functions as insect pest control agents. In order to assure the success of an integrated pest management strategy, human activities need to be harmonized to minimize the global climate changes. Plant-insect interaction is one of the most primitive and co-evolved associations, often influenced by surrounding changes. In this review, we account the persistence and evolution of plant-insect interactions, with particular focus on the effect of climate change and human interference on these interactions. Plants and insects have been maintaining their existence through a mutual service-resource relationship while defending themselves. We provide a comprehensive catalog of various defense strategies employed by the plants and/or insects. Furthermore, several important factors such as accelerated diversification, imbalance in the mutualism, and chemical arms race between plants and insects as indirect consequences of human practices are highlighted. Inappropriate implementation of several modern agricultural practices has resulted in (i) endangered mutualisms, (ii) pest status and resistance in insects and (iii) ecological instability. Moreover, altered environmental conditions eventually triggered the resetting of plant-insect interactions. Hence, multitrophic approaches that can harmonize human activities and minimize their interference in native plant-insect interactions are needed to maintain natural balance between the existence of plants and insects.

}, keywords = {Climatic change, Co-evolution, Ecosystem, Human interference, Plant-insect interaction}, issn = {0032-0935}, doi = {10.1007/s00425-015-2364-7}, author = {Mishra, Manasi and Lomate, Purushottam R. and Joshi, Rakesh S. and Punekar, Sachin A. and Gupta, Vidya S. and Giri, Ashok P.} } @article { ISI:000349580800008, title = {Effect of b site coordination environment in the ORR activity in disordered brownmillerites Ba2In2-xCexO5+delta}, journal = {ACS Applied Materials \& Interfaces}, volume = {7}, number = {5}, year = {2015}, month = {FEB}, pages = {3041-3049}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Ba2In2O5 brownmillerites in which the In site is progressively doped with Ce exhibit excellent oxygen reduction activity under alkaline conditions. Ce doping leads to structural changes advantageous for the reaction. Twenty-five percent doping retains the ordered structure of brownmillerite with alternate layers of tetrahedra and octahedra, whereas further increase in Ce concentration creates disorder. Structures with disordered oxygen atoms/vacancies are found to be better oxygen reduction reaction catalysts probably aided by isotropic ionic conduction, and Ba2In0.5Ce1.5O5+delta is the most active. This enhanced activity is correlated to the more symmetric Ce site coordination environment in this compound. Stoichiometric perovskite BaCeO3 with the highest concentration of Ce shows very poor activity emphasizing the importance of oxygen vacancies, which facilitate O-2 adsorption, in tandem with catalytic sites in oxygen reduction reactions.

}, keywords = {brownmillerite, fuel cell, oxygen disorder, oxygen reduction reaction, Rietveld refinement}, issn = {1944-8244}, doi = {10.1021/am5087837}, author = {Jijil, Chamundi P. and Bhange, Siddheshwar N. and Kurungot, Sreekumar and Devi, R. Nandini} } @article { ISI: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:000358761200004, title = {Expression of stable reference genes and SPINDLY gene in response to gibberellic acid application at different stages of grapevine development}, journal = {Biologia Plantarum}, volume = {59}, number = {3}, year = {2015}, month = {SEP}, pages = {436-444}, publisher = {ACAD SCIENCES CZECH REPUBLIC, INST EXPERIMENTAL BOTANY}, address = {ROZVOJOVA 263, PRAHA 6, CZ-165 02, CZECH REPUBLIC}, abstract = {

Gibberellic acid (GA(3)) is widely used at different stages of berry development, and to understand the molecular mechanism of its action requires identification of stable reference genes. We sprayed grapevine (Vitis vinifera L.) cv. Thompson Seedless with GA(3) at rachis stage for rachis elongation, at flower cluster stage for flower thinning, and at 3 - 4 mm berry stage for berry elongation. Tissue samples were collected at different time points after GA(3) application. The expression of 10 candidate reference genes was analyzed using 4 different algorithms to assess their suitability for real time-PCR data normalization. Based on the overall ranking, PP2A, Sutra, and SAND were identified as the most stably expressed genes across all samples. With regard to different stages, tubulin, EF1 alpha, and UBC were the most stable genes during rachis elongation; PP2A, SAND, and Sutra were the most suitable at the flower cluster and berry stages. The expression of GA signaling gene SPINDLY (VvSpy) was analyzed to validate the stable reference genes. After the GA(3) application, the expression of VvSpy was reduced at the rachis stage but did not change at the flower cluster and berry stages. The expression profile of VvSpy was comparable when two or three reference genes were used for data normalization.

}, keywords = {developmental stages, Vitis vinifera}, issn = {0006-3134}, doi = {10.1007/s10535-015-0521-2}, author = {Upadhyay, A. and Jogaiah, S. and Maske, S. R. and Kadoo, Narendra Y. and Gupta, V. S.} } @article { ISI:000359867300004, title = {Extrusion film casting of long chain branched polypropylene}, journal = {Polymer Engineering and Science}, volume = {55}, number = {9}, year = {2015}, month = {SEP}, pages = {1977-1987}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Extrusion film casting (EFC) is an important melt processing operation which is extensively used to make polypropylene (PP) films. Linear PP shows significant amount of necking and draw resonance during EFC. One of the ways to reduce necking is to introduce long chain branches (LCB) on the polymer backbone. The long branches impart extensional strain hardening behavior thereby stabilizing the melt flow. In this work, we investigate the influence of long chain branching in polypropylene on the extent of necking in the EFC process. Laboratory scale EFC experiments were performed on homopolymer PP of linear and long chain branched architectures. Simulations of the EFC process were carried out using the one-dimensional flow model of Silagy et al., Polym. Eng. Sci.,36, 2614 (1996) into which we incorporate two different multi-mode molecular constitutive equations namely, the eXtended Pom-Pom{\textquoteright} equation (XPP, for long chain branched PP) and the Rolie-Poly{\textquoteright} equation (RP-S, for linear PP). Our experimental data confirm that presence of long chain branching in PP reduces the extent of necking and our numerical predictions show qualitative agreement with experimental data, thereby elucidating the role of chain architecture on the extent of necking. POLYM. ENG. SCI., 55:1977-1987, 2015. (c) 2014 Society of Plastics Engineers

}, issn = {0032-3888}, doi = {10.1002/pen.24039}, author = {Chikhalikar, Kalyani and Banik, Sourya and Azad, Lal Busher and Jadhav, Kishor and Mahajan, Sunil and Ahmad, Zubair and Kulkarni, Surendra and Gupta, Surendra and Doshi, Pankaj and Pol, Harshawardhan and Lele, Ashish K.} } @article { ISI:000354445900067, title = {Facile synthesis of Ag nanowire-rGO composites and their promising field emission performance}, journal = {RSC Advances}, volume = {5}, number = {52}, year = {2015}, month = {APR}, pages = {41887-41893}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

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

}, issn = {2046-2069}, doi = {10.1039/c5ra00308c}, author = {Samantara, Aneeya K. and Mishra, Dillip Kumar and Suryawanshi, Sachin R. and More, Mahendra A. and Thapa, Ranjit and Late, Dattatray J. and Jena, Bikash Kumar and Rout, Chandra Sekhar} } @article { ISI: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:000365532000008, title = {Fluorescent probes for the detection of cyanide ions in aqueous medium: cellular uptake and assay for beta-glucosidase and hydroxynitrile lyase}, journal = {Journal of Materials Chemistry B}, volume = {3}, number = {47}, year = {2015}, month = {OCT}, pages = {9148-9156}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A chemodosimteric reagent (1) for the efficient detection of cyanide species (CN- and/or HCN) in aq. medium as well as under physiological conditions has been described. Selective reaction of the cyanide species with this reagent in the presence of all common interfering anions, amino acids and glutathione (GSH) led to the generation of the corresponding cyanohydrin derivative. The formation of the cyanohydrin derivative of the probe is associated with a visually detectable change in solution fluorescence in aq. buffer medium with 1.9 mu M NaCN, the threshold limit set by WHO for the safe drinking water and this makes this fluorogenic sensor an ideal candidate for in-field applications. An apparent switch on the luminescence response, ultralow detection limit, low response time, cell membrane permeability and insignificant toxicity are key features of a probe molecule, which gives it a distinct edge over previously reported chemodosimetric reagents for the detection of cyanide species (CN- or HCN) in an aqueous environment. This methodology could be used for developing a generalized and efficient fluorescence-based assay for crucial enzymes like beta-glucosidase and hydroxynitrile lyase. Furthermore, spectrally-resolved fluorescence microscopy measurements on single-cells revealed that this sensor molecule could also be used for imaging the cellular uptake of cyanide species from aq. solution contaminated with NaCN. Our results confirmed that statistical analysis of integrated intensity and transition energy obtained from the emission spectra collected over various microscopic sub-cellular regions can potentially be used to discriminate the effects of local cellular environments and that due to cyanide detection.

}, issn = {2050-750X}, doi = {10.1039/c5tb01853f}, author = {Agarwalla, Hridesh and Gangopadhyay, Monalisa and Sharma, Dharmendar Kumar and Basu, Santanu Kumar and Jadhav, Sameer and Chowdhury, Arindam and Das, Amitava} } @article { ISI:000365930300028, title = {Furosemide cocrystals with pyridines: an interesting case of color cocrystal polymorphism}, journal = {Crystal Growth \& Design}, volume = {15}, number = {12}, year = {2015}, month = {DEC}, pages = {5858-5872}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

}, issn = {1528-7483}, doi = {10.1021/acs.cgd.5b01240}, author = {Sangtani, Ekta and Sahu, Sanjay Kumar and Thorat, Shridhar H. and Gawade, Rupesh L. and Jha, Kunal K. and Munshi, Parthapratim and Gonnade, Rajesh G.} } @article { ISI:000352343600011, title = {Green synthesis of silver nanoribbons from waste X-ray films using alkaline protease}, journal = {Materials Express}, volume = {5}, number = {2}, year = {2015}, month = {APR}, pages = {165-170}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USA}, abstract = {

This work illustrates a facile approach to synthesize silver nanoribbons from waste X-ray films using alkaline protease from Beauveria sp. MTCC 5184 (BAP). The green synthesized nanoribbons have been characterized by UV-Vis spectroscopy, TEM, and FTIR. The UV-visible spectra gave maximum absorbance at 400 nm. TEM micrograph showed well-dispersed silver nanoribbons with an average length of 200-400 nm. FTIR result demonstrated the respective bands of the silver nanoribbons and proteins. XRD data revealed crystalline nature of silver nanoribbons dominated with (111) facets. In vitro antibacterial activity in terms of minimum inhibitory concentrations (MIC) and minimum bactericidal concentration (MBC) showed 8/16 mu g/mL (MIC/MBC) against Staphylococcus aureus ATCC 29213 and 4/8 mu g/mL (MIC/MBC) against Escherichia coli ATCC 25922. The green synthesized silver nanoribbons showed excellent biocompatibility up to 40 mu g/mL concentrations on mouse fibroblast cell line (L929).

}, keywords = {Alkaline Protease, Characterization, Cytotoxicity, Silver Nanoribbons, Waste X-ray Film}, issn = {2158-5849}, doi = {10.1166/mex.2015.1221}, author = {Shankar, Shiv and Prasad, R. G. S. V. and Selvakannan, P. R. and Jaiswal, Lily and Laxman, Ryali Seeta} } @article { ISI:000346742600008, title = {Heterogeneously catalyzed strategies for the deconstruction of high density polyethylene: plastic waste valorisation to fuels}, journal = {Green Chemistry}, volume = {17}, number = {1}, year = {2015}, month = {OCT}, pages = {146-156}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The plastic industry generates enormous quantities of plastics at projected rates (both production and consumption) which can significantly threaten our environment in terms of plastic waste generation. High density polyethylene (HDPE) is one of the main fractions of municipal solid waste which has a remarkable potential to be valorised into fuels (e.g. bio-oils). Catalytic degradation is an innovative alternative process to transform plastic waste into such value added products. This mini review was aimed to discuss the most relevant and recent catalysts developed for the catalytic degradation of HDPE including metal oxides, sulphated metal oxides, zeolites, nanostructured zeolites, molecular sieves, fluid catalytic cracking (FCC) catalysts, metal carbonates and mesoporous materials for the production of chemicals and fuels (e.g. diesel and gasolines). Activities and selectivities as well as important effects of additives, particle size, catalyst to polymer ratios and also recent approaches for waste management will be discussed.

}, issn = {1463-9262}, doi = {10.1039/c4gc01760a}, author = {Burange, Anand S. and Gawande, Manoj B. and Lam, Frank L. Y. and Jayaram, Radha V. and Luque, Rafael} } @conference {42974, title = {High throughput screening of inhibitors for tuberculosis at NCL : a novel drug discovery initiative from CSIR}, booktitle = {73rd CSIR Foundation Day, at CSIR-National Chemical Laboratory, Pune}, year = {2015}, month = {SEP}, publisher = {CSIR-National Chemical Laboratory, Pune}, organization = {CSIR-National Chemical Laboratory, Pune}, address = {CSIR-National Chemical Laboratory, Pune}, abstract = {

Discover and develop novel drugs that are effective at curing latent, drug sensitive and drug resistant TB Study the biology of tuberculosis bacilli in great detail to identify new metabolic pathways that may be vulnerable to drugs Test thousands of potential drugs in our screening facility to find new compounds or new compound classes that kill TB bacteria Increase throughput up to 20,000 compounds at a time Develop novel screens using conditions that mimic those the TB bacteria encounters in the human body Utilize medical chemistry to optimize the structures of compounds so that they kill TB bacteria in a more potent fashion and are non-toxic Meet the challenges from industry

}, author = {Manek, Hardik and Nawale, Laxman and Jadhav, Nandadeep J. and Sarkar, Dhiman} } @article { ISI:000348753400054, title = {Highly loaded well dispersed stable Ni species in NiXMg2AlOY nanocomposites: application to hydrogen production from bioethanol}, journal = {Applied Catalysis B-Environmental}, volume = {166}, year = {2015}, month = {MAY}, pages = {485-496}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Inexpensive NiXMg2AlOY nanocomposites with high Ni content (Ni wt\% \> 40\%) are developed as efficient catalysts for the sustainable hydrogen production from a mixture of ethanol and water at low temperature. The NiXMg2AlOY nanocomposites are composed of small and uniform nanoparticles (4-6 nm) of NiO, Ni-Mg-(Al)-O and/or MgO. The strong interactions existing between Ni2+ cations and Mg2+ and/or Al3+ cations either in the Ni-Mg-(Al)-O solid solution and/or at the interface of nanoparticles of NiO and/or Ni-Mg-(Al)-O make the catalyst highly active and stable. The behavior of the solids is analyzed in the presence of low and high concentrations of ethanol while maintaining a H2O/EtOH molar ratio of 3. The NiXMg2AlOY catalysts are shown to be efficient toward H-2 production between 250 and 650 degrees C. In the presence of low concentration of ethanol, on the highly loaded Ni compound (Ni12Mg2AlOY), total conversion of ethanol is obtained at 250 degrees C without formation of CO and carbon, and at 300 degrees C a H-2 yield of 3 mol moletEtOH(-1) is obtained without the formation of CO, exhibiting a remarkable stability with the time on stream even if some carbon is formed. In high concentration of ethanol, total conversion of ethanol is obtained at 450 degrees C on the highly loaded Ni compound (Ni12Mg2AlOY). In such conditions, a stable co-generation of carbon nanofibrous materials which amount increases with Ni content is also obtained. The catalytic stability is related to the type and morphology of the carbon species formed. The correlations among the catalyst properties, the catalytic performances and the characterizations are thoroughly discussed. (C) 2014 Elsevier B.V. All rights reserved.

}, keywords = {Ethanol, Hydrogen, Nanofibrous carbon, nickel oxide, Steam reforming}, issn = {0926-3373}, doi = {10.1016/j.apcatb.2014.11.052}, author = {Fang, Wenhao and Paul, Sebastien and Capron, Mickael and Biradar, Ankush V. and Shubhangi B. Umbarkar and Dongare, Mohan K. and Dumeignil, Franck and Jalowiecki-Duhamel, Louise} } @article { ISI: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 { ISI:000362308600004, title = {Lannea coromandelica attenuates glucagon and oxyntomodulin mediated cAMP formation in HEK cells stably-expressing human glucagon receptor}, journal = {Journal of Herbal Medicine}, volume = {5}, number = {3}, year = {2015}, month = {SEP}, pages = {153-157}, publisher = {ELSEVIER GMBH, URBAN \& FISCHER VERLAG}, address = {OFFICE JENA, P O BOX 100537, 07705 JENA, GERMANY}, abstract = {

Antagonism of glucagon is a potential therapeutic approach for Type 2 diabetes mellitus (T2DM). The bark extract of Lannea coromandelica has been reported to have hypoglycemic or anti-diabetic effects on animal models and human subjects. The aim of this study was to elucidate the molecular mechanisms of L. coromandelica extract as a glucagon receptor antagonist. The aqueous extract of L. coromandelica bark attenuated glucagon-mediated cAMP formation in a concentration dependent manner with an IC50 value of 4.24 +/- 1.31 mu g/ml. It shifted a concentration response curve of glucagon towards the right with a 4, 21 and 40-fold change in IC50 at 6.25, 12.5 and 25 mu g/ml of extract, respectively. Additionally, it attenuated an oxyntomodulin-mediated cAMP response. The extract was found specifically to inhibit glucagon mediated cAMP formation since it was ineffective in reducing cAMP levels nonspecifically-elevated by forskolin. The data support that the aqueous extract of L. coromandelica antagonizes the glucagon receptor and has the potential to reduce glucagon mediated liver glucose output. (C) 2015 Elsevier GmbH. All rights reserved.

}, keywords = {cAMP, Diabetes, Glucagon, Lannea coromandelica, Mechanism, Oxyntomodulin}, issn = {2210-8033}, doi = {10.1016/j.hermed.2015.06.005}, author = {Walunj, Sameer and Gupta, Rajesh and Joshi, Swati P. and Sabharwal, Sushma G. and Joshi, Kalpana} } @article {42935, title = {Leucas mollissima, a source of bioactive compounds with antimalarial and antimycobacterium activities}, journal = {Planta Medica Letter}, volume = {2}, year = {2015}, month = {JAN}, pages = {e35-e38}, abstract = {

A phytochemical investigation of the acetone extract from the aerial parts of Leucas mollissima afforded one new (-)epi-marmelo lactone, (2 S, 4R, 6 S)-2,6-dimethyl-6 hydroxy-7-ene-4-olide (1), along with five known compounds, schensianol A (2), vanillin (3), β-hydroxy propiovanillone (4), lanost-9(11),25-diene-3β,24β-diol (5), and lanost-9(11),23E(24)-diene-3β,25-diol (6). Similarly, an investigation of the methanol extract of the aerial parts of L. mollissima resulted in the isolation of three known compounds, (+)-syringaresinol (7), anisofolin A (8), and apigenin 7-O-β-D(- 6''-p-E-coumaroyl)-glucoside (9). Structure elucidation of the isolated compounds was carried out using detailed analysis of 1D and 2D nuclear magnetic resonance. All compounds were evaluated for antimalarial activity against Plasmodium falciparum (3D7) and for antimycobacterium activity against Mycobacterium tuberculosis H37Ra and Mycobacterium bovis. Compound 8 was found to have promising antimalarial activity (IC50 4.39 {\textpm} 0.25 {\textmu}M), promising antimycobacterium activity [IC50 4.50 {\textpm} 0.75 {\textmu}M (3.31 {\textmu}g/mL)] against M. tuberculosis H37Ra and at 100 {\textmu}g/mL, showed 55.6 \% inhibition of M. bovis. Compound 9 showed moderate inhibition of P. falciparum growth (35 \% inhibition at 10 {\textmu}M) with respect to the positive control atovaquone and 67.4 \% inhibition against M. bovis at 100 {\textmu}g/mL with respect to the positive control rifampicin.

}, author = {Chinchansure, Ashish A. and Arkile, Manisha A. and Shukla, Anurag and Shanmugam, Dhanasekaran and Sarkar, Dhiman and Joshi, Swati P.} } @article { ISI:000356515600001, title = {Long chain branched impact copolymer of polypropylene: microstructure and rheology}, journal = {Polymer Engineering and Science}, volume = {55}, number = {7}, year = {2015}, month = {JUL}, pages = {1463-1474}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

A biphasic impact copolymer of polypropylene (ICP) was modified with peroxide by reactive extrusion process resulting in reduced melt flow index, improved melt strength, and higher die swell. The polymers were for the first time subjected to systematic rheological and microstructural characterization in an effort to understand their structure-property relations. In shear rheological tests, the modified ICP displayed higher flow activation energy, reduced values of loss tangent and nearly equal frequency dependence of storage and loss modulli. The modified ICP also showed strain hardening behaviour in uniaxial extensional rheology and higher crystallization temperature in differential scanning calorimetry (DSC). All these are definitive indications of the presence of long chain branches (LCB). Fitting the rheological data of modified ICPs with the eXtended Pom Pom (XPP) model indicated the presence of LCB on the higher molecular weight fraction in the polymer, a result which was corroborated with multi-detector high temperature gel permeation chromatography (HT-GPC). More importantly, the matrix and rubber phases of the ICP were separately characterized for presence of long chain branching by rheology, DSC and HT-GPC. The results indicate that while LCB existed in the matrix phase, microgels were present in both phases indicating that the reaction with peroxide occurred in both phases. POLYM. ENG. SCI., 55:1463-1474, 2015. (c) 2014 Society of Plastics Engineers

}, issn = {0032-3888}, doi = {10.1002/pen.23993}, author = {Chikhalikar, Kalyani and Deshpande, Anushree and Pol, Harshawardhan and Dhoble, Deepa Arun and Jha, Saroj and Jadhav, Kishor and Mahajan, Sunil and Ahmad, Zubair and Kulkarni, Surendra and Gupta, Surendra and Lele, Ashish K.} } @article {45885, title = {Magnetic and magnetostrictive properties of aluminium substituted cobalt ferrite synthesized by citrate-gel method}, journal = {Journal Of Materials Science}, volume = {50}, year = {2015}, month = {OCT}, pages = {6510-6517}, type = {Article}, abstract = {

Structural, magnetic and magnetostrictive properties of sintered aluminium-substituted cobalt ferrite, CoAlxFe2-xO4 (x = 0.0, 0.1, 0.20, 0.30), derived from nanosized powders synthesized by a citrate-gel method, have been investigated. The sample with x = 0.1 is found to exhibit higher maximum magnetostriction strain at relatively lower magnetic fields (230 ppm at 286 kA/m) than that obtained for the unsubstituted cobalt ferrite (217 ppm, at 446 kA/m). All the Al-substituted compositions show larger strain sensitivity (d lambda/dH) at low magnetic fields compared to that for the unsubstituted cobalt ferrite. The variation of the magnetostriction coefficient as well as the strain sensitivity with Al content is likely to be due to the changes in the cation distribution in the tetrahedral and octahedral sites of the spinel lattice along with the associated changes in the magnetocrystalline anisotropy. The magnetostriction coefficient of x = 0.1 could be further enhanced to 306 ppm (at 220 kA/m) after a magnetic field annealing at 300 degrees C. A very high strain sensitivity of 4.5 x 10(-9) m/A is obtained for the magnetically annealed sample, larger than that reported for any substituted cobalt ferrite samples. The combination of high magnetostriction coefficient and strain sensitivity is suitable for device applications.

}, issn = {0022-2461}, doi = {10.1007/s10853-015-9211-x}, author = {Anantharamaiah, P. N. and Joy, P. A.} } @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:000346692500016, title = {Method to form semiconductor quantum dot (QD) thin films by igniting a flame at air-liquid interface: CdS and WO3}, journal = {Journal of Colloid and Interface Science}, volume = {439}, year = {2015}, month = {FEB}, pages = {121-128}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

We reveal an easy, inexpensive, efficient one step flame synthesis of semiconductor/metal oxide thin films at air-liquid interface, subsequently, transferred on suitable substrate. The method has been illustrated by the formation of CdS and Wo(3) QDs thin films. The features of the present method are (1) Growth of thin films consisting of 0.5-2.0 nm sized Quantum Dots (QDs)/(ultra-small nanoparticles) in a short time, at the air-liquid interface which can be suitably transferred by a well-known Blodgett technique to an appropriate substrate, (2) The method is suitable to apply layer by layer (LbL) technique to increase the film thickness as well as forming various compositions as revealed by AFM measurements. The films are characterized for their structure (SAED), morphology (TEM), optical properties (UV-Vis.) and photoluminescence (PL). Possible mechanism of formation of QDs thin film and effect of capping in case of COS QDs is discussed. (C) 2014 Elsevier Inc. All rights reserved.

}, keywords = {CdS, Flame synthesis, interface, Quantum Dots (QDs), thin film, WO3}, issn = {0021-9797}, doi = {10.1016/j.jcis.2014.10.029}, author = {Jadhav, Aarti H. and Patil, Sagar H. and Sathaye, Shivaram D. and Patil, Kashinath R.} } @article { ISI:000364521100015, title = {Microbial selenium nanoparticles (SeNPs) and their application as a sensitive hydrogen peroxide biosensor}, journal = {Applied Biochemistry and Biotechnology}, volume = {177}, number = {6}, year = {2015}, month = {NOV}, pages = {1386-1393}, publisher = {HUMANA PRESS INC}, address = {999 RIVERVIEW DRIVE SUITE 208, TOTOWA, NJ 07512 USA}, abstract = {

The cell-free extract, a crude enzyme (cytosolic and membrane fraction) obtained from an environmental isolate, Bacillus pumilus sp. BAB-3706 worked as excellent in reducing as well as stabilizing agent and facilitated the formation of stable colloidal selenium nanoparticles (SeNPs). Resulting nanoparticles were characterized using UV-vis spectrophotometer, TEM, EDAX, FT-IR and XRD, respectively. A working electrode was modified by coating the surface of indium tin oxide (ITO) with colloidal SeNPs. Successive additions of H2O2 (100 to 600 mu M) in conventional three electrodes system, cyclic voltammeter with potential scan rate 25.0 mV/s, in 0.1 M phosphate buffer solution (PBS) yielded increase in current. A perpetual amperometric response at fixed potential (-1.0 V) and at selected time interval of 100 s showed different magnitude of current at every addition of H2O2. The linear range of detection of H2O2 was from 5 to 600 mM (R (2) = 0.9965), while the calculated limit of detection was found to be 3.00 mu M. The current study suggested that microbial SeNPs can be used for fabrication of low cost, sensitive H2O2 biosensor.

}, keywords = {Biosensor, EDAX, Hydrogen peroxide, Selenium nanoparticles, TEM, UV-vis spectroscopy}, issn = {0273-2289}, doi = {10.1007/s12010-015-1814-9}, author = {Prasad, Kumar Suranjit and Vaghasiya, Jayraj V. and Soni, Saurabh S. and Patel, Jitesh and Patel, Rinkesh and Kumari, Madhu and Jasmani, Falguni and Selvaraj, Kaliaperumal} } @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 {43002, title = {Molecular docking and QSAR analyses for understanding the antimalarial activity of some 7-substituted-4-aminoquinoline derivatives}, journal = {European Journal of Pharmaceutical Sciences}, volume = {77}, year = {2015}, month = {SEP}, pages = {9-23}, abstract = {

The quinoline moiety is one of the widely studied scaffolds for generating derivatives with various pharmacophoric groups due to its potential antimalarial activities. In the present study, a series of 7-substituted-4-aminoquinoline derivatives were selected to understand their antimalarial properties computationally by molecular modeling techniques including 2D QSAR, comparative molecular field analysis (CoMFA), comparative molecular similarity indices analysis (CoMSIA) and molecular docking. The 2D-QSAR model built with four descriptors selected by genetic algorithm technique and CoMFA model showed satisfactory statistical results (Q(2) = 0.540, R-ncv(2) = 0.881, F value = 157.09). A reliable CoMSIA model out of the fourteen different combinations has a Q(2) value of 0.638. The molecular docking studies of the compounds for 1CET as the protein target revealed that ten compounds showed maximum interactions with the binding site of the protein. The present study highlights the unique binding signatures of the ligands within the active site groove of the target and it explains the subtle differences in their EC50 values and their mechanism of inhibition. (C) 2015 Elsevier B.V. All rights reserved.

}, doi = {10.1016/j.ejps.2015.05.025}, author = {Shibi, I. G. and Aswathy, L. and Jisha, Radhakrishnan S. and Masand, Vijay H. and Divyachandran, A. and Gajbhiye, J. M.} } @article { ISI:000363668200036, title = {Multifaceted core-shell nanoparticles: superparamagnetism and biocompatibility}, journal = {New Journal of Chemistry}, volume = {39}, number = {11}, year = {2015}, month = {AUG}, pages = {8513-8521}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

NicoreAgshell nanoparticles were synthesized by redox transmetallation reaction. Reduction potential match was encouraging to attempt the synthesis of the NicoreAushell system too. However, it could be achieved only after an effective surface modification on the Ni-core. Thorough characterization (UV-Vis spectroscopy, fluorescence spectroscopy, XRD, XPS, FTIR, TEM, and EDX) proved the necessity of surface modification and the success of synthesis of both types of core-shell structures. The chemical composition and topography were determined using STEM-HAADF analysis and EFTEM imaging. Fourier transform infrared (FTIR) spectroscopy confirmed the surface modification of Ni nanoparticles and the interactions involved between the ligands and metals (in the core and/or the shell) at various steps of the synthetic process. Even after the formation of the noble metal shell, the magnetic core was found to retain its superparamagnetic nature. In addition, the Au-shell protected the core from aerial oxidation and decreased toxicity as compared to pristine Ni nanoparticles as observed by MTT assay on normal cells (PBMCs).

}, issn = {1144-0546}, doi = {10.1039/c5nj01481f}, author = {Sardar, Debasmita and Neogi, S. K. and Bandyopadhyay, Sanjoy and Satpati, Biswarup and Ahir, Manisha and Adhikary, Arghya and Jain, Ruchi and Gopinath, Chinnakonda S. and Bala, Tanushree} } @article { ISI:000363068400047, title = {Multifaceted thermodynamics of Pb-n (n=16-24) clusters: a case study}, journal = {Journal of Physical Chemistry C}, volume = {119}, number = {41}, year = {2015}, month = {OCT}, pages = {23698-23707}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Thermodynamic response of small clusters is a challenging area of exploration, both experimentally and theoretically. In this article, we study the thermodynamic behavior of small Pb clusters (size 16-24) using Born-Oppenheimer molecular dynamics. A new ground state structure is reported for Pb-20. Except for Pb-21, all clusters fragment at temperatures above T-m[bulk] and show no signs of melting. Characteristic behavior like restricted diffusion and solid solid transition is discussed in detail. Variation in the isomerization temperature of these clusters is explained using the bond length analysis. Root mean square bond length fluctuations (delta(rms)) along with distribution of atoms about center of mass of the cluster as a function of time and distance-energy (DE) plots are used to bring out the essential features of Pb cluster thermodynamics. Analysis carried out using these parameters, and their interpretation regarding state of the system, are discussed in detail. We highlight that it is not possible to define {\textquoteleft}{\textquoteleft}liquid state{\textquoteright}{\textquoteright} for these small clusters, in the conventional frame of understanding.

}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.5b05250}, author = {Susan, Anju and Kaware, Vaibhav and Joshi, Kavita} } @article { ISI:000361532500003, title = {New butenolide cinnamate and other biological active chemical constituents from Polygonum glabrum}, journal = {Natural Product Research}, volume = {29}, number = {22}, year = {2015}, month = {NOV}, pages = {2080-2086}, publisher = {TAYLOR \& FRANCIS LTD}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {

Phytochemical investigation of the methanol extract of the aerial parts of Polygonum glabrum afforded one new natural product (-)-2-methoxy-2-butenolide-3-cinnamate (1) along with six known compounds, -hydroxyfriedalanol (2), 3-hydroxy-5-methoxystilbene (3), (-) pinocembrin (4), sitosterol-(6-O-palmitoyl)-3-O{\textendash}d-glucopyranoside (5), (-) pinocembrin-5-methyl ether (6) and sitosterol-3-O{\textendash}d-glucopyranoside (7). Compound 1 showed promising in vitro anti-HIV-1 activity against primary isolates HIV-1(UG070) (X4, subtype D) and HIV-1(VB59) (R5, subtype C) assayed using TZM-bl cell line with IC50 in the range of 15.68-22.43g/mL. The extract showed TI in the range of 19.19-27.37 with IC50 in the range of 10.90-15.55g/mL. Compounds 1, 3 and 4 exhibited in vitro anti-mycobacterium activity against Mycobacterium tuberculosis H37Ra with IC50 values of 1.43, 3.33 and 1.11g/mL in dormant phase and 2.27, 3.33 and 1.21g/mL in active phase, respectively. Compound 4 was found to be the most active antiproliferative with IC50 values of 1.88-11.00g/mL against THP-1, A549, Panc-1, HeLa and MCF7 cell lines.

}, keywords = {anti-HIV-1, anti-mycobacterium, antiproliferative, phytochemicals, Polygonaceae, Polygonum glabrum}, issn = {1478-6419}, doi = {10.1080/14786419.2015.1004674}, author = {Said, Madhukar S. and Chinchansure, Ashish A. and Nawale, Laxman and Durge, Ankita and Wadhwani, Ashish and Kulkarni, Smita S. and Sarkar, Dhiman and Joshi, Swati P.} } @article { ISI:000346408800001, title = {Nonconventional chemical inhibitors of microRNA: therapeutic scope}, journal = {Chemical Communications}, volume = {51}, number = {5}, year = {2015}, month = {OCT}, pages = {820-831}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

MicroRNAs (miRNAs) are a class of genomically encoded small RNA molecules (similar to 22nts in length), which regulate gene expression post transcriptionally. The term microRNA or miRNA was coined in 2001, and research in the past decade has shed light on their widespread occurrence, evolutionary conservation and tissue specific functions. It is estimated that they modulate the gene expression of approximately 60\% of the mammalian genes by regulating the levels of target mRNAs to which they can bind on the basis of sequence complementarities. miRNAs are produced in a well coordinated series of steps from being transcribed in the nucleus to exerting their function in the cytoplasm. miRNAs are now implicated in diverse biological phenomena ranging from development to stress response which makes miRNAs one of the central regulatory molecules which modulate information flow along the central dogma of gene expression. More importantly, like any regulatory molecule, deregulation of miRNAs is causally associated with several diseases (mainly cancer) and is directly involved in a variety of pathophysiologies owing to their aberrant expression. Thus, modulation of miRNA levels is of prime therapeutic importance. Conventional methods of miRNA knockdown using chemically modified antisense-oligonucleotides have been explored extensively but face the challenges of modes of delivery, biostability and biodistribution. This calls for the development of more alternative and non-conventional methods to target miRNA. Small molecules targeting RNA chemical and structural space provide one such timely opportunity. In this article we first provide a brief overview of miRNA biogenesis and its disease associations. We then summarize the major developments in conventional oligonucleotide based approaches to miRNA knockdown and its status. We then focus on the more non-conventional methods like oligonucleotide enzymes and small molecules and provide an outlook on the future of such methods.

}, issn = {1359-7345}, doi = {10.1039/c4cc04514a}, author = {Jayaraj, Gopal Gunanathan and Nahar, Smita and Maiti, Souvik} } @article { ISI:000365203000041, title = {Non-templated ambient nanoperforation of graphene: a novel scalable process and its exploitation for energy and environmental applications}, journal = {Nanoscale}, volume = {7}, number = {46}, year = {2015}, month = {OCT}, pages = {19705-19713}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Nano-perforation of 2D graphene sheets is a recent and strategically significant means to exploit such materials in modern applications such as energy production and storage. However, current options for the synthesis of holey graphene (hG) through nano-perforation of graphene involve industrially undesirable steps viz., usage of expensive/noble metal or silica nanoparticle templates and/or hazardous chemicals. This severely hampers its scope for large scale production and further exploitation. Herein, we report for the first time a scalable non-templated route to produce hG at ambient conditions. Nano-perforation is achieved with tunable pore size via the simple few layer co-assembly of silicate-surfactant admicelles along the surface of graphene oxide. A gentle alkali treatment and a reduction at optimized conditions readily yielded holey graphene with a remarkable capacitance (similar to 250 F g(-1)) and interesting adsorption abilities for pollutants. Density functional theory based computational studies reveal interesting insights on the template free nano-perforation at a molecular level. This simple rapid process not only excludes the need for expensive templates and harmful chemicals to yield hG at attractively ambient, chemically placid and industrially safer conditions, but also creates no hurdles in terms of scaling up.

}, issn = {2040-3364}, doi = {10.1039/c5nr05715a}, author = {Jhajharia, Suman Kumari and Selvaraj, Kaliaperumal} } @article { ISI:000353205000033, title = {Novel hybrid nocodazole analogues as tubulin polymerization inhibitors and their antiproliferative activity}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {25}, number = {9}, year = {2015}, month = {MAY}, pages = {1982-1985}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

We describe the design, synthesis and SAR profiling of a series of novel combretastatin-nocodazole conjugates as potential anticancer agents. The thiophene ring in the nocodazole moiety was replaced by a substituted phenyl ring from the combretastatin moiety to design novel hybrid analogues. The hydroxyl group at the ortho position in compounds 2, 3 and 4 was used as the conformationally locking tool by anticipated six-membered hydrogen bonding. The bioactivity profiles of all compounds as tubulin polymerization inhibitors and as antiproliferative agents against the A-549 human lung cancer cell line were investigated Compounds 1 and 4 showed mu M IC50 values in both assays. (C) 2015 Elsevier Ltd. All rights reserved.

}, keywords = {Anticancer, Colchicine, Nocodazole, Tubulin binding}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2015.03.019}, author = {Kale, Sangram S. and Jedhe, Ganesh S. and Meshram, Sachin N. and Santra, Manas K. and Hamel, Ernest and Sanjayan, Gangadhar J.} } @article { ISI:000359279100022, title = {OpenFOAM computational fluid dynamic simulations of single-phase flows in an advanced-flow reactor}, journal = {Industrial \& Engineering Chemistry Research}, volume = {54}, number = {30}, year = {2015}, month = {AUG}, pages = {7543-7553}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Computational fluid dynamic (CFD) simulations are carried out for single-Phase flow in an, advanced-flow reactor (AFR) using the open source software OpenFOAM. Excellent agreement of Simulations with experimental pressure drop and residence time distribution (RTD) is obtained. Streamlines, stagnant zones, Velocity profiles, and pressure fields are,obtained at different flow rates ranging from 5 to 100 mL/min. A change in the flow behavior with the presence of recirculation zones is observed with a 40 mL/min flow rate. The extent of the recirculation zones increases with increasing flow rate from 40 to 60 mL/min and is limited further by the presence of a second cylindrical post inside the heart cell, remaining almost constant in the flow rate range of 60-100 mL/min. The RTD is also determined for all flow rates, and a. comparison between different reactor designs (two-post, single-post, and low-flow-reactor-like single-post) is presented. The APR Shows a plug-flow behavior with a small degree of dispersion, which broadens the RTD. Symmetric RTD curves are obtained for the single-post designs, whereas the Gen 1 APR design experiences asymmetry in the RTD at flow rates in the range between 20 and 60 mL/min.

}, issn = {0888-5885}, doi = {10.1021/acs.iecr.5b00232}, author = {Nieves-Remacha, Maria Jose and Kukarni, Amok A. and Jensen, Klavs F.} } @article {43010, title = {Partial ionic bonding in homogeneous sodium clusters}, journal = {Condensed~Matter~Physics}, year = {2015}, month = {APR}, abstract = {

In this work, we report an interesting observation of partial ionic bonding due to charge transfer in homogeneous sodium clusters. The charge transfer causes the electronic charge to accumulate on the surface, and the resulting charges on atoms range between +0.4 to -1.0 |e^-|. We also demonstrate that this disparity among effective charges on atoms is geometry dependent, such that atoms experiencing similar surrounding, have equal effective charge. It is speculated that this phenomenon will occur among other homogeneous clusters as well, and its extent will be defined by the valence electron delocalization.

}, author = {Kaware, Vaibhav and Joshi, Kavita} } @article { ISI:000357618200029, title = {Phenols from green tea as a dual functional coating to prepare devices for energy storage and molecular separation}, journal = {Chemical Communications}, volume = {51}, number = {58}, year = {2015}, month = {JUN}, pages = {11662-11664}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Polyphenols from green tea were used to electrolessly deposit gold on silk cocoons (SCs) and nanoporous aluminum oxide (AAO) templates. The gold coated cocoons were used as electrodes in supercapacitors and showed a capacitance as high as 254 F g(-1) and a specific power of 2287 W kg(-1). A metal coated AAO template was used for molecular separation.

}, issn = {1359-7345}, doi = {10.1039/c5cc03108g}, author = {Das, Chayanika and Jain, Bhanprakash and Krishnamoorthy, Kothandam} } @article { ISI:000363347800036, title = {Photochemical performance of ZnO nanostructures in dye sensitized solar cells}, journal = {Solid State Sciences}, volume = {48}, year = {2015}, month = {OCT}, pages = {237-243}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

In this work, the photoconversion efficiencies of ZnO having diverse microstructures and structural defects have been investigated. A conversion efficiency of 138\% was achieved for the DSSCs fabricated with as prepared ZnO nanorods having minimum vacancy defects and a favourable one dimensional directional pathway for electron conduction. The DSSCs fabricated with ZnO nanoparticles exhibited relatively low conversion efficiency of 1.004\% probably due to multiple trapping/detrapping phenomena within the grain boundaries and ZnO flowers though exhibited a high dye adsorption capability exhibited the lowest conversion efficiency of 0.59\% due to a high concentration of structural defects. Based on the experimental evidences, we believe that the type of defects and their concentrations are more important than shape in controlling the overall performance of ZnO based DSSCs. (C) 2015 Elsevier Masson SAS. All rights reserved.

}, keywords = {DSSC, Efficiency, Emission, Structural defects, ZnO}, issn = {1293-2558}, doi = {10.1016/j.solidstatesciences.2015.08.014}, author = {Das, Partha Pratim and Mukhopadhyay, Soumita and Agarkar, Shruti A. and Jana, Arpita and Devi, P. Sujatha} } @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:000346339500005, title = {Possible mechanism of antifungal phenazine-1-carboxamide from pseudomonas sp against dimorphic fungi Benjaminiella poitrasii and human pathogen Candida albicans}, journal = {Journal of Applied Microbiology}, volume = {118}, number = {1}, year = {2015}, month = {JAN}, pages = {39-48}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

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

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

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

}, keywords = {Fe3O4, Ferromagnetic, FTIR-PAS, Microwave absorption, Natural rubber, SEM, XRD}, issn = {0921-5107}, doi = {10.1016/j.mseb.2015.04.014}, author = {Thomas, Teena and Kanoth, Bipinbal P. and Nijas, C. M. and Joy, Pattayil Alias and Joseph, Joseph M. and Kuthirummal, Narayanan and Thachil, Eby T.} } @article { ISI:000364032500052, title = {Preparation of mesoporous titanosilicate with isolated Ti active centers for cyclohexene oxidation}, journal = {RSC Advances}, volume = {5}, number = {112}, year = {2015}, month = {OCT}, pages = {92371-92377}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

We report the preparation of mesoporous titanosilicate with active Ti centres using CTAB as the structure directing agent and ethylenediamine as the complexing agent (TSC-ED). The finalmaterial contained isolated Ti4+ centres substituting Si4+ in the mesoporous silica framework. The crucial role played by ethylenediamine in complexing with Ti4+ during the sol-gel process and preventing the phase segregation of TiO2 was studied systematically. The textural parameters, structural order, morphology, nature and co-ordination of Ti species were analyzed using various techniques such as X-ray diffraction (XRD), UV-vis diffused reflectance spectroscopy (UV-vis DRS), UV resonance Raman spectroscopy, Fourier transformed Infrared spectroscopy (FT-IR), field emission scanning electron microscopy (FESEM), transition electron microscopy (TEM), and X-ray photoelectron spectroscopy. Finally, the catalysts were tested for catalytic activity in the oxidation of cyclohexene using various oxidants.

}, issn = {2046-2069}, doi = {10.1039/c5ra18044a}, author = {Gupta, S. and Vinod, C. P. and Jagadeesan, Dinesh} } @article { ISI: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:000352791300086, title = {Recent development of plant products with anti-glycation activity: a review}, journal = {RSC Advances}, volume = {5}, number = {39}, year = {2015}, month = {MAR}, pages = {31113-31138}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Diabetes mellitus (DM) is an endocrine disorder characterized by chronic hyperglycemia, which results from an absolute or a relative deficiency of insulin or resistance to insulin. Hyperglycemia is increasingly linked to the pathogenesis of diabetic complications in individuals with long-duration diabetes. One of the inevitable consequences of hyperglycemia is the enhanced accumulation of advanced glycation end-products (AGEs), which are implicated in the pathogenesis of diabetes. Various natural products and their active constituents have reportedly been used for the treatment of diabetes and its complications. Some of these molecules are known to have anti-glycation activity. The search for novel anti-glycation agents from various sources is gaining a lot of importance. Attention has especially been focused on plants with an ethnopharmacological background and also on plants rich in triterpenoids and phenolics, which generally exhibit antioxidant and anti-glycation effects. Plant extracts or compounds obtained from them that possess both antioxidant and anti-glycation activities might have great therapeutic potential for treating diabetic complications. This review highlights the anti-glycation activities of phytochemicals, which will aid in the identification of lead molecules for the development of new anti-glycation drugs.

}, issn = {2046-2069}, doi = {10.1039/c4ra14211j}, author = {Chinchansure, Ashish A. and Korwar, Arvind M. and Kulkarni, Mahesh J. and Joshi, Swati P.} } @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:000360025100006, title = {Reduction of graphene oxide by 100 MeV Au ion irradiation and its application as H2O2 sensor}, journal = {Journal of Physics D-Applied Physics}, volume = {48}, number = {36}, year = {2015}, month = {SEP}, pages = {365105}, publisher = {IOP PUBLISHING LTD}, address = {TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND}, abstract = {

Graphene oxide (GO) synthesized from a modified Hummer{\textquoteright}s method was reduced (referred, rGO) by using 100 MeV Au ion species and its response to the sense H2O2 was investigated. The changes in the atomic composition and structural properties of rGO after irradiation were studied using x-ray diffraction, Fourier transform infrared spectroscopy and x-ray photoelectron spectroscopy. These results suggested that the removal of the oxygen-containing functional groups and the improvement of the electrochemical performance of reduced graphene oxide (rGO) after ion irradiation. Raman spectroscopic results revealed the increase in the disorder parameter (I-D/I-G) after Au ion irradiation and also the formation of a large number of small sp(2) domains due to the electronic energy loss of ion beam. The resultant rGO was investigated for H2O2 sensing using electrochemical techniques and it showed a good response.

}, keywords = {electronic energy loss, GO, ion beam irradiation, reduction}, issn = {0022-3727}, doi = {10.1088/0022-3727/48/36/365105}, author = {Hareesh, K. and Joshi, R. P. and Shateesh, B. and Asokan, K. and Kanjilal, D. and Late, Dattatray J. and Dahiwale, S. S. and Bhoraskar, Vasant N. and Haram, Santosh K. and Dhole, Sanjay D.} } @article { ISI: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:000353689400017, title = {Rifampicin reduces advanced glycation end products and activates DAF-16 to increase lifespan in Caenorhabditis elegans}, journal = {Aging Cell}, volume = {14}, number = {3}, year = {2015}, month = {JUN}, pages = {463-473}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Advanced glycation end products (AGEs) are formed when glucose reacts nonenzymatically with proteins; these modifications are implicated in aging and pathogenesis of many age-related diseases including type II diabetes, atherosclerosis, and neurodegenerative disorders. Thus, pharmaceutical interventions that can reduce AGEs may delay age-onset diseases and extend lifespan. Using LC-MSE, we show that rifampicin (RIF) reduces glycation of important cellular proteins in vivo and consequently increases lifespan in Caenorhabditis elegans by up to 60\%. RIF analog rifamycin SV (RSV) possesses similar properties, while rifaximin (RMN) lacks antiglycation activity and therefore fails to affect lifespan positively. The efficacy of RIF and RSV as potent antiglycating agents may be attributed to the presence of a p-dihydroxyl moiety that can potentially undergo spontaneous oxidation to yield highly reactive p-quinone structures, a feature absent in RMN. We also show that supplementing rifampicin late in adulthood is sufficient to increase lifespan. For its effect on longevity, rifampicin requires DAF-18 (nematode PTEN) as well as JNK-1 and activates DAF-16, the FOXO homolog. Interestingly, the drug treatment modulates transcription of a different subset of DAF-16 target genes, those not controlled by the conserved Insulin-IGF-1-like signaling pathway. RIF failed to increase the lifespan of daf-16 null mutant despite reducing glycation, showing thereby that DAF-16 may not directly affect AGE formation. Together, our data suggest that the dual ability to reduce glycation in vivo and activate prolongevity processes through DAF-16 makes RIF and RSV effective lifespan-extending interventions.

}, keywords = {advanced glycation end products, aging, Caenorhabditis elegans, DAF-16, Glycation, lifespan, rifampicin}, issn = {1474-9718}, doi = {10.1111/acel.12327}, author = {Golegaonkar, Sandeep and Tabrez, Syed S. and Pandit, Awadhesh and Sethurathinam, Shalini and Jagadeeshaprasad, Mashanipalya G. and Bansode, Sneha B. and Sampathkumar, Srinivasa-Gopalan and Kulkarni, Mahesh J. and Mukhopadhyay, Arnab} } @article { ISI:000366339300003, title = {RNA stem-loop to G-quadruplex equilibrium controls mature MicroRNA production inside the cell}, journal = {Biochemistry}, volume = {54}, number = {48}, year = {2015}, month = {DEC}, pages = {7067-7078}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The biological role of the existence of overlapping structures in RNA is possible yet remains very unexplored. G-Rich tracts of RNA form G-quadruplexes, while GC-rich sequences prefer stem-loop structures. The equilibrium between alternate structures within RNA may occur and influence its functionality. We tested the equilibrium between G-quadruplex and stem-loop structure in RNA and its effect on biological processes using pre-miRNA as a model system. Dicer enzyme recognizes canonical stem-loop structures in pre-miRNA to produce mature miRNAs. Deviation from stem-loop leads to deregulated mature miRNA levels, providing readout of the existence of an alternate structure per se G-quadruplex-mediated structural interference in miRNA maturation. In vitro analysis using beacon and Dicer cleavage assays indicated that mature miRNA levels depend on relative amounts of K+: and Mg2+ ions, suggesting an ion-dependent structural shift. Further in cellulo studies with and without TmPyP4 (RNA G-quadruplex destabilizer) demonstrated that miRNA biogenesis is modulated by G-quadruplex to stem-loop equilibrium in a subset of pre-miRNAs. Our combined analysis thus provides evidence of the formation of noncanonical G-quaciruplexes in competition with canonical stem-loop structure inside the cell and its effect on miRNA maturation in a comprehensive manner.

}, issn = {0006-2960}, doi = {10.1021/acs.biochem.5b00574}, author = {Pandey, Satyaprakash and Agarwala, Prachi and Jayaraj, Gopal Gunanathan and Gargallo, Raimundo and Maiti, Souvik} } @article {42984, title = {Rottlerin derivatives and other compounds from mallotus philippinensis fruits and their potential antimycobactrial activity}, journal = {Planta Medica Letters}, volume = {2}, year = {2015}, month = {JUN}, pages = {e28-e30}, abstract = {

The methanolic extract of the fruits of Mallotus philippinensis afforded 13 compounds, 7,11-diketo-lanost-3-ol (1, as acetate), lanosta-8-ene-3β-ol (2, as acetate), pregnenolone (3, as acetate), trans-chalcone (4), kamalachalcone E (5), oleanolic acid (6), gallic acid (7), kaempferol (8), myricetin (9), 1-(5,7-dihydroxy-2,2,6-trimethyl-2 H-1-benzopyran-8-yl)-3-phenyl-2-propen-1-one (10), 4'-hydroxyisorottlerin (11), rottlerin (12), and shikimic acid (13). Compound 1 was isolated as a new natural product and its structure was elucidated by 1D and 2D nuclear magnetic resonance analyses including heteronuclear single quantum correlation, heteronuclear multiple-bond correlation, correlation spectroscopy, and nuclear Overhauser effect spectroscopy experiments. All of the isolated compounds were evaluated for their antimycobacterium activity against Mycobacterium tuberculosis H37Ra. Compounds 11 and 12 exhibited promising inhibitory activity with IC50 values of 0.89 {\textpm} 0.33 {\textmu}g/mL (MIC 2.06 {\textpm} 0.41 {\textmu}g/mL) and 7.59 {\textpm} 0.42 {\textmu}g/mL (MIC 11.56 {\textpm} 0.35 {\textmu}g/mL), respectively.

}, doi = {10.1055/s-0035-1557793}, author = {Bhardwaj, Rima and Chinchansure, Ashish A. and Kulkarni, Roshan R. and Arkile, Manisha A. and Sarkar, Dhiman and Joshi, Swati P.} } @article { 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: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:000358229500042, title = {Stereocontrolled synthesis of Hagen{\textquoteright}s gland lactones via iterative proline catalyzed alpha-aminoxylation and oxa-Michael addition reactions}, journal = {RSC Advances}, volume = {5}, number = {75}, year = {2015}, month = {JUL}, pages = {61000-61005}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A simple and efficient synthesis of Hagen{\textquoteright}s gland lactones was achieved using a sequential alpha-aminoxylation/oxa-Michael approach in a highly diastereoselective manner with assignment of relative configurations. This method was found to be applicable to the synthesis of various other isomers of Hagen{\textquoteright}s gland lactones.

}, issn = {2046-2069}, doi = {10.1039/c5ra10082h}, author = {Kauloorkar, Shruti Vandana and Jha, Vishwajeet and Jogdand, Ganesh F. and Kumar, Pradeep} } @article { ISI:000348309800003, title = {Structural features of diverse Pin-II proteinase inhibitor genes from capsicum annuum}, journal = {Planta}, volume = {241}, number = {2}, year = {2015}, month = {FEB}, pages = {319-331}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

The proteinase inhibitor (PI) genes from Capsicum annuum were characterized with respect to their UTR, introns and promoter elements. The occurrence of PIs with circularly permuted domain organization was evident. Several potato inhibitor II (Pin-II) type proteinase inhibitor (PI) genes have been analyzed from Capsicum annuum (L.) with respect to their differential expression during plant defense response. However, complete gene characterization of any of these C. annuum PIs (CanPIs) has not been carried out so far. Complete gene architectures of a previously identified CanPI-7 (Beads-on-string, Type A) and a member of newly isolated Bracelet type B, CanPI-69 are reported in this study. The 5{\textquoteright} UTR (untranslated region), 3{\textquoteright}UTR, and intronic sequences of both the CanPI genes were obtained. The genomic sequence of CanPI-7 exhibited, exon 1 (49 base pair, bp) and exon 2 (740 bp) interrupted by a 294-bp long type I intron. We noted the occurrence of three multi-domain PIs (CanPI-69, 70, 71) with circularly permuted domain organization. CanPI-69 was found to possess exon 1 (49 bp), exon 2 (551 bp) and a 584-bp long type I intron. The upstream sequence analysis of CanPI-7 and CanPI-69 predicted various transcription factor-binding sites including TATA and CAAT boxes, hormone-responsive elements (ABRELATERD1, DOFCOREZM, ERELEE4), and a defense-responsive element (WRKY71OS). Binding of transcription factors such as zinc finger motif MADS-box and MYB to the promoter regions was confirmed using electrophoretic mobility shift assay followed by mass spectrometric identification. The 3{\textquoteright} UTR analysis for 25 CanPI genes revealed unique/distinct 3{\textquoteright} UTR sequence for each gene. Structures of three domain CanPIs of type A and B were predicted and further analyzed for their attributes. This investigation of CanPI gene architecture will enable the better understanding of the genetic elements present in CanPIs.

}, keywords = {CanPI, Capsicum, Gene architecture, Promoter, Proteinase inhibitor}, issn = {0032-0935}, doi = {10.1007/s00425-014-2177-0}, author = {Mahajan, Neha S. and Dewangan, Veena and Lomate, Purushottam R. and Joshi, Rakesh S. and Mishra, Manasi and Gupta, Vidya S. and Giri, Ashok P.} } @article { ISI:000360002300005, title = {Studies on melt processable biocomposites of polylactic acid}, journal = {Journal of Polymers and the Environment}, volume = {23}, number = {3}, year = {2015}, month = {SEP}, pages = {321-333}, publisher = {SPRINGER/PLENUM PUBLISHERS}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Melt processable microcrystalline cellulose (MCC)/poly(lactic acid) (PLA) composites were successfully prepared by twin-screw extrusion. Several characterization techniques were used to investigate the effect of MCC on rheological behavior, morphology, crystallization and melting behavior of the PLA and structure-property correlation of the MCC/PLA composites has been established. Rheological measurements showed that the addition of MCC has a dramatic influence on the low frequency relaxations of PLA chains and above 5 \% of MCC, it forms percolated network structure. Differential scanning calorimeter analysis showed that MCC acted as nucleating agent enhancing crystallization below the percolation concentration. Properties of MCC/PLA composites have been compared with that of talc and CaCO3 filled composites. Talc is found to be more effective in crystallizing PLA than MCC and CaCO3. MCC/PLA composites are found be melt processable like that of talc and CaCO3 filled PLA composites.

}, keywords = {Biopolymers, composites, Rheological properties, Structure-property relationship}, issn = {1566-2543}, doi = {10.1007/s10924-014-0668-5}, author = {Joseph, Seena and Deenadayalan, E. and Mahanwar, Prakash A.} } @article { ISI:000360934800004, title = {Study of applications of machine learning based classification methods for virtual screening of lead molecules}, journal = {Combinatorial Chemistry \& High Throughput Screening}, volume = {18}, number = {7}, year = {2015}, month = {AUG}, pages = {658-672}, publisher = {BENTHAM SCIENCE PUBL LTD}, address = {EXECUTIVE STE Y-2, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB EMIRATES}, abstract = {

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

}, keywords = {Anti-anginal, anti-arrythmic, anti-bacterial, anti-convulsant, anti-depressant anti-diabetic, binary QSAR, chemophore, machine learning, pharmacophore, toxicophore}, issn = {1386-2073}, doi = {10.2174/1386207318666150703112447}, author = {Vyas, Renu and Bapat, Sanket and Jain, Esha and Tambe, Sanjeev S. and Karthikeyan, Muthukumarasamy and Kulkarni, Bhaskar D.} } @article { ISI:000360095900016, title = {Sulfuryl chloride promoted gem-dichlorination-dehydrochlorination in alkyl benzothiazinylacetates: synthesis of the skeleton of trichochrome pigments}, journal = {Synthesis-Stuttgart}, volume = {47}, number = {17}, year = {2015}, month = {SEP}, pages = {2631-2634}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

Chemo- and stereoselective total synthesis of the basic trichochrome skeleton is described starting from o-aminothiophenol and maleic anhydride in very good overall yield. The process involves the synthesis of the corresponding 1,4-benzothiazin-2-ylacetates followed by their sulfuryl chloride induced dihalogenation-dehydrohalogenation and a second condensation with o-aminothiophenol as key steps.

}, keywords = {condensations, halogenation, maleic anhydride, o-aminothiophenol, trichochrome framework}, issn = {0039-7881}, doi = {10.1055/s-0034-1378714}, author = {Jangir, Ravi and Gadre, Smita R. and N. P. Argade} } @article { ISI:000358338300003, title = {Synthesis and antifungal potential of 1,2,3-triazole and 1,2,4-triazole thiol substituted strobilurin derivatives}, journal = {Indian Journal of Chemistry Section B-Organic Chemistry Including Medicinal Chemistry}, volume = {54}, number = {7}, year = {2015}, month = {JUL}, pages = {908-917}, publisher = {COUNCIL SCIENTIFIC \& INDUSTRIAL RES}, address = {ANUSANDHAN BHAWAN, 2 RAFI MARG, NEW DELHI, 110001, INDIA}, abstract = {

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

}, keywords = {1, 2, 3-triazole strobilurin, 4-triazole thiol strobilurin, antifungal, Strobilurin, Y-H transition inhibition}, issn = {0376-4699}, author = {Chaudhary, Preeti M. and Tupe, Santosh G. and Jorwekar, Shweta U. and Sant, Duhita G. and Deshpande, Sunita R. and Maybhate, Shailaja P. and Likhite, Anjali P. and Deshpande, Mukund V.} } @article {45939, title = {Synthesis and evaluation of thieno[2,3-d]pyrimidin-4(3H)-ones as potential antitubercular agents}, journal = {MedChemComm}, volume = {6}, year = {2015}, month = {AUG}, pages = {2209-2215}, type = {Article}, abstract = {

A number of thieno[2,3-d]pyrimidin-4(3H)-ones were designed, synthesized and screened against Mycobacteria as a part of our program to develop new antitubercular agents. It was observed that some of the compounds have significant antimycobacterial activity against Mycobacterium tuberculosis H37Ra (ATCC 25177) and Mycobacterium bovis BCG (ATCC 35743). The active compounds were studied for cytotoxicity against four cell lines and were found to be non-cytotoxic. The results showed that compounds 13b and 29e were found to exhibit very good antimycobacterial activity (MIC in the range of 6-8 mu M) and the thienopyrimidinones as a class have potential to be developed as antitubercular agents.

}, issn = {2040-2503}, doi = {10.1039/c5md00404g}, author = {Borate, Hanumant B. and Annadate, Ritesh A. and Vagh, Sandip S. and Pisal, Mahesh M. and Deokate, Sagar B. and Arkile, Manisha A. and Jadhav, Nandadeep J. and Nawale, Laxman U. and Sarkar, Dhiman} } @article { ISI:000365710500009, title = {Synthesis, antioxidant, anti-inflammatory, and antimicrobial screening of newer thiophene-fused arylpyrazolyl 1,3,4-oxadiazoles}, journal = {Phosphorus Sulfur and Silicon and the Related Elements}, volume = {190}, number = {11}, year = {2015}, month = {NOV}, pages = {1803-1813}, publisher = {TAYLOR \& FRANCIS LTD}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {

A series of newer 1,3,4-oxadiazole derivatives 3a-h, 5a-h containing a thiophene fused with pyrazole moiety of pharmacological significance have been synthesized. The compounds were characterized by H-1 NMR, IR, and mass spectral techniques. The compounds were screened for their in vitro antioxidant, anti-inflammatory and antimicrobial activities. Among them, Compounds 3b (EC50-14.98) and 3f (EC50-12.21) showed significant antioxidant activity. Compound 3a (EC50-15.23) showed good anti-inflammatory activity. Compound 3d was found as the most active derivative against bacterial and fungal strains.

}, keywords = {1, 3, 4-Oxadiazole, Anti-inflammatory, Antimicrobial, Antioxidant, EC50, Thiophene-fused pyrazole}, issn = {1042-6507}, doi = {10.1080/10426507.2015.1024784}, author = {Mahajan, Pravin S. and Nikam, Mukesh and Chate, Asha and Nimbalkar, Urja and Patil, Vrushali and Bobade, Anil and Chaudhari, Abhay and Deolankar, Dattatray and Javale, Balasaheb and Gill, Charansingh H.} } @article { ISI:000366209800015, title = {Synthesis of 3-Thia-1-dethiacephems via Regioselective Iodocyclization Reaction}, journal = {Synthesis-Stuttgart}, volume = {47}, number = {24}, year = {2015}, month = {DEC}, pages = {3956-3962}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

The key N-homopropargylthiourea intermediates, N-substituted 2-oxo-4-propargylazetidine-1-carbothioamides, were prepared by the reaction of a 4-propargylazetidin-2-one with isothiocyanates. Bicyclic -lactams, i.e. 3-thia-1-dethiacephems, were prepared via highly regioselective iodocyclization reaction of N-substituted 2-oxo-4-propargylazetidine-1-carbothioamides with molecular iodine at room temperature in moderate to excellent yields. A variety of functional groups were well tolerated under the reaction conditions.

}, keywords = {-lactams, 3-thia-1-dethiacephems, Iodocyclization, Regioselective, thiourea}, issn = {0039-7881}, doi = {10.1055/s-0035-1560350}, author = {Garud, Dinesh R. and Rode, Navnath D. and Bathe, Sagar R. and Ranpise, Vinod S. and Joshi, Ramesh A. and Joshi, Rohini R. and Koketsu, Mamoru} } @article { ISI:000360597400020, title = {Synthesis of (+/-) debenzoyl analogs of norsampsones as potential anticancer agents}, journal = {Tetrahedron Letters}, volume = {56}, number = {37}, year = {2015}, month = {SEP}, pages = {5235-5237}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {Acylphloroglucinols, Anticancer, Debenzoyl, Norsampsones}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2015.07.057}, author = {Jadhav, Amol R. and Thombal, Raju S. and Nigam, Preeti and Jadhav, Vrushali H.} } @article { ISI:000347890900011, title = {Targeting dormant tuberculosis bacilli: results for molecules with a novel pyrimidone scaffold}, journal = {Chemical Biology \& Drug Design}, volume = {85}, number = {2}, year = {2015}, month = {FEB}, pages = {201-207}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Our inability to completely control TB has been due in part to the presence of dormant mycobacteria. This also renders drug regimens ineffective and is the prime cause of the appearance of drug-resistant strains. In continuation of our efforts to develop novel antitubercular agents that especially target dormant mycobacteria, a set of 55 new compounds belonging to the pyrimidone class were designed on the basis of CoMFA and CoMSIA studies, and these were synthesized and subsequently tested against both the dormant and virulent BCG strain of M.tuberculosis. Some novel compounds have been identified which selectively inhibit the dormant tuberculosis bacilli with significantly low IC50 values. This study reports the second molecule after TMC-207, having the ability to inhibit tuberculosis bacilli exclusively in its dormant phase. The synthesis was accomplished by a modified multicomponent Biginelli reaction. A classification model was generated using the binary QSAR approach - recursive partitioning (RP) to identify structural characteristics related to the activity. Physicochemical, structural, topological, connectivity indices, and E-state key descriptors were used for generation of the decision tree. The decision tree could provide insights into structure-activity relationships that will guide the design of more potent inhibitors.

}, keywords = {Antitubercular activity, dormant tuberculosis bacilli, pyrimidones, recursive partitioning}, issn = {1747-0277}, doi = {10.1111/cbdd.12373}, author = {Joshi, Rohit R. and Barchha, Avinash and Khedkar, Vijay M. and Pissurlenkar, Raghuvir R. S. and Sarkar, Sampa and Sarkar, Dhiman and Joshi, Rohini R. and Joshi, Ramesh A. and Shah, Anamik K. and Coutinho, Evans C.} } @article { ISI:000364355500044, title = {Temperature-dependent raman spectroscopy of titanium trisulfide (TiS3) nanoribbons and nanosheets}, journal = {ACS Applied Materials \& Interfaces}, volume = {7}, number = {43}, year = {2015}, month = {NOV}, pages = {24185-24190}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Titanium trisulfide (TiS3) has recently attracted the interest of the 2D community because it presents a direct bandgap of similar to 1.0 eV, shows remarkable photoresponse, and has a predicted carrier mobility up to 10000 cm(2) V-1 s(-1). However, a study of the vibrational properties of TiS3, relevant to understanding the electron-phonon interaction that can be the main mechanism limiting the charge carrier mobility, is still lacking. In this work, we take the first steps to study the vibrational properties of TiS3 through temperature-dependent Raman spectroscopy measurements of TiS3 nanoribbons and nanosheets. Our investigation shows that all the Raman modes linearly soften (red shift) as the temperature increases from 88 to 570 K due to anharmonic vibrations of the lattice, which also includes contributions from the lattice thermal expansion. This softening with the temperature of the TiS3 modes is more pronounced than that observed in other 2D semiconductors, such as MoS2, MoSe2, WSe2, and black phosphorus (BP). This marked temperature dependence of the Raman spectra could be exploited to determine the temperature of TiS3 nanodevices by using Raman spectroscopy as a noninvasive and local thermal probe. Interestingly, the TiS3 nanosheets show a stronger temperature dependence of the Raman modes than the nanoribbons, which we attribute to lower interlayer coupling in the nanosheets.

}, keywords = {2D semiconductors, layered materials, Raman spectroscopy, thermal effect, TiS3 nanoribbons, TiS3 nanosheets}, issn = {1944-8244}, doi = {10.1021/acsami.5b07492}, author = {Pawbake, Amit S. and Island, Joshua O. and Flores, Eduardo and Ramon Ares, Jose and Sanchez, Carlos and Ferrer, Isabel J. and Jadkar, Sandesh R. and van der Zant, Herre S. J. and Castellanos-Gomez, Andres and Late, Dattatray J.} } @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:000354211100055, title = {Tolbutamide induces conformational change and promotes albumin glycation}, journal = {RSC Advances}, volume = {5}, number = {50}, year = {2015}, month = {APR}, pages = {40070-40075}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Tolbutamide is a first generation sulfonylurea drug used for the treatment of type II diabetes. In the present study, the effect of tolbutamide on albumin conformation was investigated using BSA as a model protein. The binding of tolbutamide induced a conformational change in albumin, which was confirmed by thioflavin T assay, ANS assay, and CD spectroscopy. Computer simulations suggested that the binding of tolbutamide increases the solvent accessibility of lysine residues, the hotspots of glycation. Furthermore, the change in conformation of albumin facilitates increased glycation, which was observed by AGE specific fluorescence and the results were corroborated by mass spectrometric analysis. This study suggested that tolbutamide enhances albumin glycation by inducing conformational change in BSA and hence could be a potential risk factor if used for a prolonged period.

}, issn = {2046-2069}, doi = {10.1039/c5ra03839a}, author = {Bansode, Sneha B. and Batkulwar, Kedar B. and Warkad, Shrikant D. and Jana, Asis K. and Sengupta, Neelanjana and Kulkarni, Mahesh J.} } @article { ISI:000350763600017, title = {Total and semi-syntheses of antimicrobial thuggacin derivatives}, journal = {Chemistry-A European Journal}, volume = {21}, number = {11}, year = {2015}, month = {MAR}, pages = {4272-4284}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

The total and semi-synthesis of 13 new macrolactones derived from thuggacin, which is a secondary metabolite from the myxobacterium Sorangium cellulosum, are reported. The thuggacins have attracted much attention due to their strong antibacterial activity, particularly towards Mycobacterium tuberculosis. This study focuses on 1) thuggacin derivatives that cannot equilibrate by transacylation between the three natural thuggacins A-C, 2) the roles of the thiazole ring, and 3) the hexyl side chain at C2. Semi-synthetic O-methylation at C17 suppressed the transacylations without a substantial loss of antibacterial activity. Exchanging the C17-C25 side chain for simplified hydrophobic chains led to complete loss of antibacterial activity. Exchange of the thiazole by an oxazole ring or removal of the hexyl side chain at C2 had no substantial effect on the biological properties.

}, keywords = {antibiotics, lactones, Natural products, synthesis design, Total synthesis}, issn = {0947-6539}, doi = {10.1002/chem.201405874}, author = {Franke, Jana and Bock, Martin and Dehn, Richard and Fohrer, Joerg and Mhaske, Santosh B. and Migliorini, Antonella and Kanakis, Argyrios A. and Jansen, Rolf and Herrmann, Jennifer and Mueller, Rolf and Kirschning, Andreas} } @article { ISI:000364803200007, title = {Total syntheses and biological evaluation of (+/-)-botryosphaeridione, (+/-)-pleodendione, 4-epi-periconianone B, and analogues}, journal = {ACS Medicinal Chemistry Letters}, volume = {6}, number = {11}, year = {2015}, month = {NOV}, pages = {1117-1121}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The total syntheses of (+/-)-botryosphaeridione, (+/-)-pleodendione, (+/-)-hoaensieremodione, 4-epi-periconianone B, and their analogues have been accomplished for the first time. All the synthesized target compounds were screened in neural anti-inflammatory assays using LPS induced microglia cells (N9). Among them, compounds 1 and 21 were identified as potential lead compounds for further profiling.

}, keywords = {antineuroinflammatoty agents, bohyosphaeridione, Natural product, pleodendione, Total synthesis}, issn = {1948-5875}, doi = {10.1021/acsmedchemlett.5b00241}, author = {Handore, Kishor L. and Jadhav, Prakash D. and Hazra, Bibhabasu and Basu, Anirban and Reddy, D. Srinivasa} } @article { ISI:000360656100018, title = {Total synthesis of the natural product EBC-329}, journal = {Organic \& Biomolecular Chemistry}, volume = {13}, number = {36}, year = {2015}, month = {JUL}, pages = {9485-9491}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

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

}, issn = {1477-0520}, doi = {10.1039/c5ob01276g}, author = {Thombal, Raju S. and Jadhav, Vrushali H.} } @article { ISI:000358237400019, title = {Tunable acid-base bifunctional catalytic activity of FeOOH in an orthogonal tandem reaction}, journal = {Catalysis Science \& Technology}, volume = {5}, number = {8}, year = {2015}, month = {MAY}, pages = {4029-4038}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

In this report, we have explored the acid-base bifunctional catalytic activity of iron oxohydroxides (FeOOH) by catalyzing deacetalization and Henry condensation reactions successively in a single pot. The crystalline polymorphs of FeOOH, namely goethite (alpha FeOOH), akaganeite (beta FeOOH), lepidocrocite (gamma FeOOH) and delta FeOOH, were chemically prepared and tested for the catalytic activity. All the polymorphs of FeOOH exhibited acid-base bifunctional catalytic activity. The relative selectivity for products varied with the polymorphs of FeOOH. Whereas alpha FeOOH produced benzaldehyde in high yield, the polymorphs beta FeOOH, gamma FeOOH and delta FeOOH showed high selectivity for trans-beta-nitrostyrene. In addition, beta FeOOH also exhibited a unique activity towards the formation of 1,3-dinitro-2-phenylpropane. The difference in the catalytic activity of FeOOH polymorphs was explained based on the strength and density of acidic and basic active sites on the surface. Selectivity for the products was tuned by changing the synthesis parameters of the catalysts and reaction conditions.

}, issn = {2044-4753}, doi = {10.1039/c5cy00361j}, author = {Vernekar, D. and Jagadeesan, Dinesh} } @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.} } @article { ISI:000349435000092, title = {Unprecedented ferrocene-quinoline conjugates: facile proton conduction via 1D helical water chains and a selective chemosensor for Zn(II) ions in water}, journal = {RSC Advances}, volume = {5}, number = {20}, year = {2015}, month = {JAN}, pages = {15690-15694}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Two novel ferrocene-quinoline derivatives 3 (C22H19O2N3Fe) and 4 (C34H28O4N6Fe) have been synthesized and structurally characterized. Compound 3 exhibits good proton conductivity through 1D helical water chains. In addition, both compounds 3 and 4 selectively detect Zn2+ ions in water with a detection limit of 2 ppb through multiple channels.

}, issn = {2046-2069}, doi = {10.1039/c4ra13877e}, author = {Ponniah, Joseph S. and Barik, Subrat Kumar and Borthakur, Rosmita and Thakur, Arunabha and Garai, Bikash and Janaa, Sourita and Ghosh, Sundargopal} } @article {42917, title = {Water-dispersible ascorbic-acid-coated magnetite nanoparticles for contrast enhancement in MRI}, journal = {Applied Nanoscience}, volume = {5}, year = {2015}, month = {JAN}, pages = {435-441}, doi = {10.1007/s13204-014-0335-0}, author = {Sreeja, V. and Jayaprabha, Kunnoth N. and Joy, Pattayil Alias} } @article {42699, title = {Well-defined palladium(II) complexes for ligand enabled C(sp3)-alkynylation}, journal = {Dalton Transactions}, volume = {44}, year = {2015}, month = {JUL}, pages = {15382-15386}, abstract = {

The first example of ligand-enabled C(sp3)-alkynylation of 8-methylquinoline is reported. The reaction is catalysed by well-defined Pd(II) complexes. The present C(sp3)-alkynylation has a broad substrate scope as well as functional group tolerance and proceeds efficiently under mild conditions.

}, doi = {10.1039/C5DT02772A}, author = {Landge, Vinod Gokulkrishna and Sahoo, Manoj Kumar and Midya, Siba Prasad and Jaiswal, Garima and Balaraman, Ekambaram} } @article { ISI: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.} } @inbook {45834, title = {Alkoxycarbonylation for fine chemicals: carbamates}, booktitle = {Industrial catalytic processes for fine and specialty chemicals}, year = {2016}, pages = { 693-719}, publisher = {Elsevier Inc.}, organization = {Elsevier Inc.}, abstract = {Carbamates are an important class of compounds having wide applications in pharmaceutical, polymer, and agriculture industry. A brief account of the history of carbamates, their synthesis, and applications in chemical industry is presented in this chapter. A section on synthesis of carbamates by catalytic methoxycarbonylation of amines is also included. Results of lead-catalyzed methoxycarbonylation of aniline to methyl- N-phenyl carbamate are presented as a model case study. The synthesis of several carbamates has been reported using dimethyl carbonate to illustrate the usefulness of the method.}, doi = {10.1016/B978-0-12-801457-8.00015-X}, author = {Didgikar, M. R. and Joshi, S. S.} } @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 {45644, title = {Application of glucose derived magnetic solid acid for etherification of 5-HMF to 5-EMF, dehydration of sorbitol to isosorbide, and esterification of fatty acids}, journal = {Tetrahedron Letters}, volume = {57}, year = {2016}, month = {SEP }, pages = {4398-4400}, type = {Article}, abstract = {

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

}, keywords = {dehydration, Esterification, etherification, Magnetic}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2016.08.061}, author = {Thombal, Raju S. and Jadhav, Vrushali H.} } @article {43614, title = {Bilayer cryogel wound dressing and skin regeneration grafts for the treatment of acute skinwounds}, journal = {ACS Applied Materials \& Interfaces}, volume = {8}, year = {2016}, month = {JUN}, pages = {15145-15159}, abstract = {In this study, the potential of cryogel bilayer wound dressing and skin regenerating graft for the treatment of surgically created full thickness wounds was evaluated. The top layer was composed of polyvinylpyrrolidone-iodine (PVP-I) and served as the antiseptic layer, while the bottom regenerative layer was made using gelatin cryogel. Both components of the bilayer showed typical features of a cryogel interconnected macropore network, rapid swelling, high water uptake capacity of about 90\%. Both PVP and gelatin cryogel showed high tensile strength of 45 and 10 kPa, respectively. Gelatin cryogel sheets were essentially elastic and could be stretched without any visible deformation. The antiseptic PVP-I layer cryogel sheet showed sustained iodine release and suppressed microbial growth when tested with skin pathogens (zone of inhibition cm for sheet of 0.9 cm diameter). The gelatin cryogel sheet degraded in vitro in weeks. The gelatin cryogel sheet supported cell infiltration, attachment, and proliferation of fibroblasts and keratinocytes. Microparticles loaded with bioactive molecules (mannose-6-phosphate and human fibrinogen) were also incorporated in the gelatin cryogel sheets for their role in enhancing skin regeneration and scar free wound healing. In vivo evaluation of healing capacity of the bilayer cryogel was checked in rabbits by creating full thickness wound, defect (diameter 2 cm). Macroscopic and microscopic observation at regular time intervals for 4 weeks demonstrated better and faster skin regeneration in the wound treated with cryogel bilayer as compared to untreated defect and the repair was comparable to commercial skin regeneration scaffold Neuskin-F. Complete skin regeneration was observed after 4 weeks{\textquoteright} of implantation with no sign of inflammatory response. Defects implanted with cryogel having mannose-6-phosphate showed no scar formation,, while the wound treated with bilayer incorporated with human fibrinogen microparticles showed early signs of skin regeneration; epidermis formation occurred at 2 weeks after implantation.}, doi = {10.1021/acsami.6b04711}, author = {Priya, S. Geetha and Gupta, Ankur and Jain, Era and Sarkar, Joyita and Damania, Apeksha and Jagdale, Pankaj R. and Chaudhari, Bhushan P. and Gupta, Kailash C. and Kumar, Ashok} } @article {42555, title = {Biosynthesis of anti-proliferative gold using endophytic fusarium oxysporum strain isolated from neem (A-indica) leaves}, journal = {Current topics in medicinal chemistry}, volume = {16}, year = {2016}, month = {JAN}, pages = {2036-2042}, abstract = {

Here we report a simple, rapid, environment friendly approach for the synthesis of gold nanoparticles using neem (Azadirachta indica A. Juss.) fungal endophyte, which based upon morphological and cultural characteristics was eventually identified as Fusarium oxysporum. The aqueous precursor (HAuCl4) solution when reacted with endophytic fungus resulted in the biosynthesis of abundant amounts of well dispersed gold nanoparticles of 10-40 nm with an average size of 22nm. These biosynthesized gold nanoparticles were then characterized by standard analytical techniques such as UV-Visible spectroscopy, X-ray diffraction, Transmission Electron Microscopy and Fourier Transform Infrared Spectroscopy. Cytotoxic activity of these nanoparticles was checked against three different cell types including breast cancer (ZR-75-1), Daudi (Human Burkitt{\textquoteright}s lymphoma cancer) and normal human peripheral blood mononuclear cells (PBMC), where it was found that our gold nanoparticles are anti-proliferative against cancer cells but completely safe toward normal cells. In addition to this, assessment of toxicity toward human RBC revealed less than 0.1 \% hemolysis as compared to Triton X-100 suggesting safe nature of our biosynthesized gold nanoparticles on human cells. Also, our nanoparticles exhibited no anti-fungal (against Aspergillus niger) or anti-bacterial [against Gram positive (Bacillus subtilis \& Staphylococcus aureus) and Gram negative (Escherichia coli \& Pseudomonas aeruginosa) bacteria] activity thus suggesting their non-toxic, biocompatible nature. The present investigation opens up avenues for eco-friendly, biocompatible nanomaterials to be used in a wide variety of application such as drug delivery, therapeutics, theranostics and so on.

}, doi = {10.2174/1568026616666160215160644}, author = {Siddiqui, Ejaz Ahmad and Ahmad, Absar and Julius, Anju and Syed, Asad and Khan, Shadab and Kharat, Mahesh and Pai, Kalpana and Kadoo, Narendra Y. and Gupta, Vidya} } @article {43410, title = {Building and analysis of protein-protein interactions related to diabetes mellitus using support vector machine, biomedical text mining and network analysis}, journal = {Computational Biology and Chemistry}, volume = {65}, year = {2016}, month = {DEC}, pages = {37-44}, abstract = {In order to understand the molecular mechanism underlying any disease, knowledge about the interacting proteins in the disease pathway is essential. The number of revealed protein-protein interactions (PPI) is still very limited compared to the available protein sequences of different organisms. Experiment based high-throughput technologies though provide some data about these interactions, those are often fairly noisy. Computational techniques for predicting protein protein interactions therefore assume significance. 1296 binary fingerprints that encode a combination of structural and geometric properties were developed using the crystallographic data of 15,000 protein complexes in the pdb server. In a case study, these fingerprints were created for proteins implicated in the Type 2 diabetes mellitus disease. The fingerprints were input into a SVM based model for discriminating disease proteins from non disease proteins yielding a classification accuracy of 78.2\% (AUC value of 0.78) on an external data set composed of proteins retrieved via text mining of diabetes related literature. A PPI network was constructed and analysed to explore new disease targets. The integrated approach exemplified here has a potential for identifying disease related proteins, functional annotation and other proteomics studies. (C) 2016 Elsevier Ltd. All rights reserved.}, doi = {10.1016/j.compbiolchem.2016.09.011}, author = {Vyas, Renu and Bapat, Sanket and Jain, Esha and Karthikeyan, Muthukumarasamy and Tambe, Sanjeev and Kulkarni, Bhaskar D.} } @article {45839, title = {Capsicum annuum proteinase inhibitor ingestion negatively impacts the growth of sorghum pest Chilo partellus and promotes differential protease expression}, journal = {Biochemistry and Biophysics Reports}, volume = {78}, year = {2016}, month = {DEC}, pages = {302-309}, type = {Article}, abstract = {Background Chilo partellus is an important insect pest infesting sorghum and maize. The larvae internalize in the stem, rendering difficulties in pest management. We investigated the effects of Capsicum annuum proteinase inhibitors (CanPIs) on C. partellus larvae by in-vitro and in-vivo experiments. Methods Recombinant CanPI-7 (with four-Inhibitory Repeat Domains, IRDs), -22 (two-IRDs) and insect proteinase activities were estimated by proteinase assays, dot blot assays and in gel activity assays. Feeding bioassays of lab reared C. partellus with CanPI-7 and -22 were performed. C. partellus proteinase gene expression was done by RT-PCR. In-silico structure prediction of proteinases and CanPI IRDs was carried out, their validation and molecular docking was done for estimating the interaction strength. Results Larval proteinases of C. partellus showed higher activity at alkaline pH and expressed few proteinase isoforms. Both CanPIs showed strong inhibition of C. partellus larval proteinases. Feeding bioassays of C. partellus with CanPIs revealed a dose dependent retardation of larval growth, reduction of pupal mass and fecundity, while larval and pupal periods increased significantly. Ingestion of CanPIs resulted in differential up-regulation of C. partellus proteinase isoforms, which were sensitive to CanPI-7 but were insensitive to CanPI-22. In-silico interaction studies indicated the strong interaction of IRD-9 (of CanPI-22) with Chilo proteinases tested. Conclusions Of the two PIs tested, CanPI-7 prevents induction of inhibitor insensitive proteinases in C. partellus so it can be explored for developing C. partellus tolerance in sorghum. General significance Ingestion of CanPIs, effectively retards C. partellus growth; while differentially regulating the proteinases.}, doi = {10.1016/j.bbrep.2016.09.016}, author = {Jadhav, A. R. and War, A. R. and Nikam, A. N. and Adhav, A. S. and Gupta, V. S. and Sharma, H. C. and Giri, A. P. and Tamhane, V.A.} } @inbook {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.} } @inbook {43007, title = {Cells and organs on chip - revolutionary platform for biomedicine}, booktitle = {Lab-on-a-chip fabrication and application}, year = {2016}, publisher = {Intech}, organization = {Intech}, chapter = {5}, address = {Croatia}, author = {Joshi, Preeti Nigam} } @article { ISI:000372169700020, title = {Characteristics of precipitation pattern in the Arabian Peninsula and its variability associated with ENSO}, journal = {Arabian Journal of Geosciences}, volume = {9}, number = {3}, year = {2016}, month = {MAR}, pages = {186}, publisher = {SPRINGER HEIDELBERG}, address = {TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY}, abstract = {

A detailed analysis of the precipitation pattern of the Arabian Peninsula and its temporal and spatial variability were investigated in connection with ENSO. Also, the variability of precipitable water and circulation characteristics was examined for a better understanding. The study was carried out utilizing TRMM rainfall, NOAA OLR, precipitable water, wind, and humidity data sets. It is evident that Northern Arabian Peninsula receives high amount of rainfall mainly during winter and early summer (November to April) in connection with the passage of mid tropospheric westerly troughs and Mediterranean low-pressure systems. But the precipitation pattern over the Southern Arabian Peninsula reveals that it is mainly during summer (May to October) due to the Arabian Sea branch of monsoon and moisture laden cross equatorial LLJ flow. Further, analysis was carried out to assess the influence of ENSO on the precipitation pattern. Thorough analysis was carried out on the circulation pattern using velocity potential in the lower troposphere to understand the features of variability on Hadley/Walker circulation in relation with organized convection. El Nino and La Nina have profound influence on the rainfall pattern in a different manner in the Northern and Southern Arabian Peninsula. Large-scale circulation pattern as derived from velocity potential indicates that shifting of the rising/sinking limb of Hadley/Walker circulation associated with the ENSO causes variability in precipitation.

}, keywords = {Arid region, Circulation, El Nino and La Nina, Precipitation pattern}, issn = {1866-7511}, doi = {10.1007/s12517-015-2265-x}, author = {Babu, C. A. and Jayakrishnan, P. R. and Varikoden, Hamza} } @article { 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 {42695, title = {Cobalt-catalyzed bis-alkynylation of amides via double C{\textendash}H bond activation}, journal = {Organic Letters}, volume = {18}, year = {2016}, month = {FEB}, pages = {812{\textendash}815}, abstract = {

The first example of cobalt-catalyzed selective bis-alkynylation of amides via double C{\textendash}H bond activation with the directing assistance of a removable bidentate auxiliary is reported. The developed alkynylation strategy is simple, efficient, and tolerant of various functional groups including ether, amine, halides, and heterocyclic motifs. The reaction can be scaled up under mild conditions.

}, doi = {10.1021/acs.orglett.6b00095}, author = {Landge, Vinod Gokulkrishna and Jaiswal, Garima and Balaraman, Ekambaram} } @article {42999, title = {Comparative functional characterization of eugenol synthase from four different ocimum species: implications on eugenol accumulation}, journal = {Biochimica Et Biophysica Acta-Proteins and Proteomics}, volume = {1864}, year = {2016}, month = {NOV}, pages = {1539-1547}, abstract = {

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

}, doi = {10.1016/j.bbapap.2016.08.004}, author = {Anand, Atul and Jayaramaiah, Ramesha H. and Beedkar, Supriya D. and Singh, Priyanka A. and Joshi, Rakesh S. and Mulani, Fayaj A. and Dholakia, Bhushan B. and Punekar, Sachin A. and Gade, Wasudeo N. and Thulasiram, Hirekodathakallu V. and Giri, Ashok P.} } @article { ISI:000369480600051, title = {Concentration-dependent apparent partition coefficients of ionic liquids possessing ethyl-and bi-sulphate anions}, journal = {Physical Chemistry Chemical Physics}, volume = {18}, number = {2}, year = {2016}, month = {JAN}, pages = {1105-1113}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

This study deals with the concentration dependent apparent partition coefficients log P of the ethyl and bisulfate-based ionic liquids. It is observed that the bisulfate-based ionic liquids show different behaviour with respect to concentration as compared to ethyl sulphate-based ionic liquids. It is significant and useful analysis for the further implementation of alkyl sulfate based ionic liquids as solvents in extraction processes. The log P values of the ethyl sulphate-based ionic liquids were noted to vary linearly with the concentration of the ionic liquid, whereas a flip-flop trend with the concentration for the log P values of the bisulphate-based ionic liquids was observed due to the difference in hydrogen bond accepting basicity and possibility of aggregate formation of these anions. The pi-pi interactions between the imidazolium and pyridinium rings were seen to affect the log P values. The alkyl chain length of anions was also observed to influence the log P values. The hydrophobicity of ionic liquid changes with the alkyl chain in the anion in the order; [HSO4](-) \< [EtSO4](-) \< [BuSO4](-).

}, issn = {1463-9076}, doi = {10.1039/c5cp06611e}, author = {Jain, Preeti and Kumar, Anil} } @article {42692, title = {Conformational features of the Aβ42 peptide monomer and its interaction with the surrounding solvent}, journal = {Physical Chemistry Chemical Physics}, volume = {18}, year = {2016}, month = {OCT}, pages = {30144-30159}, doi = {10.1039/C6CP04925G}, author = {Khatua, Prabir and Jose, Jaya C. and Sengupta, Neelanjana and Bandyopadhyay, Sanjoy} } @article {42544, title = {Continuous flow doebner{\textendash}miller reaction and isolation using continuous stirred tank reactors}, journal = {Organic Process Research \& Development}, volume = {20}, year = {2016}, month = {AUG}, pages = {1621{\textendash}1625}, abstract = {

Continuous flow Doebner{\textendash}Miller synthesis of different quinaldines from respective anilines is demonstrated using sulfuric acid as a homogeneous catalyst. The extent of reaction was monitored for various parameters, namely, temperature, residence time, mole ratio of sulfuric acid to substrate, mole ratio of crotonaldehyde to substrate, and so forth. Continuous stirred reactors in series were used as a preferred configuration for this rection that generates byproduct in the form of sticky solid material. The approach has been extended for six different anilines, and the results are compared with batch reactions. Continuous stirred reactors in series with distributed dosing of crotonaldehyde facilitated a continuous flow reaction with lower byproduct formation, increased yields, and continuous workup and is a scalable approach.

}, doi = {10.1021/acs.oprd.6b00179}, author = {Yadav, Maruti B. and Kulkarni, Sourabh and Joshi, Ramesh A. and Kulkarni, Amol A.} } @article { ISI:000373408600014, title = {Correlating the role of hydrophilic/hydrophobic nature of Rh(I) and Ru(II) supported organosilica/silica catalysts in organotransformation reactions}, journal = {Applied Catalysis A-General}, volume = {513}, year = {2016}, month = {MAR}, pages = {138-146}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Highly reactive and hydrophobic triphenyl phosphine based rhodium(I) and ruthenium(II) organometallic complexes over benzene containing periodic mesoporous organosilica (PMOB) have been synthesized. This has been achieved by the immobilization of neat metal complexes like RhCl(PPh3)(3) [Wilkinson catalyst], RuHCl(CO)(PPh3)(3) and RuCl2(PPh3)(3) over aminofunctionalized PMOB to get RhCl(PPh3)(2)-PrNH2PMOB, RuHCl(CO)(PPh3)(2)-PrNH2PMOB and RuCl2(PPh3)(3)-PrNH2PMOB, respectively. The physico-chemical properties of the functionalized catalysts were analyzed by elemental analysis, ICP-OES, XRD, N-2 sorption analyses, FT-IR, solid state C-13 and Si-29 NMR spectra, XPS, SEM, TEM and contact angle measurements. The XRD and N-2 sorption analyses showed excellent textural properties with ordered mesoporous channel structure of all synthesized catalysts. The organic moieties anchored in PMOB were confirmed by C-13 CPMAS NMR and Fr-IR spectroscopy with Si-29 CPMAS NMR spectroscopy providing the information about the degree of functionalization of surface silanol groups with organic moiety. The Rh(I) and Ru(II) complexes supported on MCM-41/SBA-15/PMOE (ethane-PMO) were synthesized, and their catalytic activities in hydrogenation and sulfoxidation reactions were compared with Rh(I) and Ru(II) complexes supported on PMOB. The results show that PMOB based catalysts exhibit higher activities and selectivities than MCM-41/SBA-15/PMOB supported catalysts, neat homogeneous complexes and without catalyst. The better catalytic performance of PMOB based catalyst is attributed to the hydrophobic nature and high surface area of the PMOB support. The recycling studies of anchored catalysts show no major deactivation of the catalyst. (C) 2015 Elsevier B.V. All rights reserved.

}, keywords = {Heterogeneous catalysts, Hydrogenation and sulfoxidation, Hydrophobic, Periodic mesoporous organosilica}, issn = {0926-860X}, doi = {10.1016/j.apcata.2015.12.026}, author = {Lazar, Anish and George, Shoy C. and Jithesh, P. R. and Vinod, C. P. and Singh, A. P.} } @article { 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 {43443, title = {Design, synthesis, and biological evaluation of novel fluorinated pyrazole encompassing pyridyl 1,3,4-oxadiazole motifs}, journal = {Medicinal Chemistry Research}, volume = {25}, year = {2016}, month = {NOV}, pages = {2698-2717}, abstract = {A rational approach was adopted for the synthesis of 1-(2-(3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl)-5-(pyridin-4-yl)-1,3,4-oxadiazol-3(2H)-yl)-3-(aryl)prop-2-en-1-ones (5a-n) using conventional heating as well as microwave irradiation techniques. Compounds 5a-n were tested for their in vitro antimicrobial activity and cytotoxicity. Compounds 5g showed most potent antibacterial activity, while compound 5k emerged as the most effective antifungal agent. The most active compounds 5f, 5g, 5l, and 5m were also screened against methicillin-resistant Staphylococcus aureus. Among these compounds, 5g and 5m inhibited the growth against MRSA at low level of cytotoxicity. A binary quantitative structure-activity relationship based recursive partitioning model was developed to probe the physico-chemical properties influencing the structure-activity relationship for this class of molecules, which was used to correctly classify active and inactive compounds.}, doi = {10.1007/s00044-016-1683-y}, author = {Desai, Nisheeth C. and Kotadiya, Ghanshyam M. and Trivedi, Amit R. and Khedkar, Vijay M. and Jha, Prakash C.} } @article { ISI:000372756700003, title = {DFT based assay for tailor-made terpyridine ligand-metal complexation properties}, journal = {Molecular Simulations}, volume = {42}, number = {8}, year = {2016}, month = {MAY}, pages = {618-627}, publisher = {TAYLOR \& FRANCIS LTD}, type = {Article}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {

Electron-rich terpyridine ligand and its metal complexes have a potential to grow as responsive surfaces by adapting their physicochemical properties as a function of environment. The responsiveness is brought about by judicious molecular level designing that is currently hindered due to lack of information and control on terpyridine (TPy)-metal (M) interactions at single molecule level. So far there is no organised understanding on the binding of different metals with TPy ligand and ways to modulate it. Being a large conjugated [GRAPHICS] system, TPy has a large scope to be functionalised with electron exchanging groups to alter its electronic structure and consequently its binding with metal atoms. In first report of such a kind, using density functional theory (DFT), we demonstrate that convenient modulation of TPy-M binding is possible through functionalisation of TPy for [GRAPHICS] , Ru, Fe, Mo and Au. Electron donating groups viz., CH [GRAPHICS] , OCH [GRAPHICS] , C [GRAPHICS] H [GRAPHICS] , NH [GRAPHICS] and electron withdrawing groups viz., CF [GRAPHICS] , COOH, CN and NO [GRAPHICS] are considered for functionalisation of TPy ligand. Significantly, the present work focuses on the functionalisation at 4 and 4 [GRAPHICS] positions of TPy molecule. The role of such a functionalisation in influencing the ligands structure-property correlation is missing in the literature to the best of our knowledge. The present investigation quantifies that by pertinent functionalisation of TPy, TPy-M binding energies can be modified up to [GRAPHICS] 60kcal/mol. Our results reveal that functionalisation leads to a considerable charge redistribution within the TPy-M complex with carbon atoms in pyridine rings functioning as major electron sink/source with a corresponding red/blue shift of [GRAPHICS] stretching frequency. This modifies the red-ox, optical and other chemical properties of TPy-M complexes. In brief, the present report illustrates a way to design ligands such as TPy for diverse applications through tailor-made functionalisation using electronic structure methodology.

}, keywords = {Binding energy, charge redistribution, Density functional theory, functionalisation, Metal organic complexes, metal-ligand interactions, terpyridine}, issn = {0892-7022}, doi = {10.1080/08927022.2015.1067368}, author = {Joshi, Krati and Krishnamurty, Sailaja and Singh, Iksha and Selvaraj, Kaliaperumal} } @article { ISI:000376479400017, title = {Dietary flaxseed oil and fish oil ameliorates renal oxidative stress, protein glycation, and inflammation in streptozotocin-nicotinamide-induced diabetic rats}, journal = {Journal of Physiology and Biochemistry}, volume = {72}, number = {2}, year = {2016}, month = {JUN}, pages = {327-336}, publisher = {SERVICIO PUBLICACIONES UNIVERSIDAD NAVARRA}, address = {CAMPUS UNIV, CARRETERA DEL SADAR S-N, APARTADO 177, 31080 PAMPLONA, SPAIN}, abstract = {

Protective and prophylactic effects of omega-3 fatty acids on oxidative stress and inflammation are well known. We assessed beneficial effects of flaxseed oil and fish oil on streptozotocin (65 mg/kg; i.p.)-nicotinamide (110 mg/kg; i.p.) induced diabetic rats by studying renal expression of antioxidant and inflammatory genes. Diabetic rats given 10 \% flaxseed oil or 10 \% fish oil diet for 35 days showed significant decrease in renal lipid peroxidation. Flaxseed oil diet resulted in up-regulation of renal superoxide dismutase-1 (SOD-1) (activity and expression) and glutathione peroxidase-1 (GPx-1) expression. Furthermore, both diets up-regulated catalase (CAT) (activity and expression) and down-regulated heme oxygenase-1 (HO-1) expression. Both diets were able to limit the renal advanced glycation end products (AGEs) formation and reduced receptor of AGE (RAGE) protein expression significantly. Expressions of interleukin-6 (IL-6) and NF-kappa B p65 subunit were down-regulated significantly by flaxseed oil or fish oil diet. The histological tubular injuries were also lowered by both diets. These results suggest that dietary omega-3 fatty acids may slow the progression of diabetic nephropathy (DN) associated with oxidative stress, glycation, and inflammation in the kidney.

}, keywords = {Diabetes, Fish oil, Flaxseed oil, Glycation, Kidney, Streptozotocin}, issn = {1138-7548}, doi = {10.1007/s13105-016-0482-8}, author = {Jangale, Nivedita M. and Devarshi, Prasad P. and Bansode, Sneha B. and Kulkarni, Mahesh J. and Harsulkar, Abhay M.} } @article { ISI: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 { ISI:000381232100028, title = {Effect of different temperature on structural, magnetic and dielectric properties of strontium hexaferrite powder synthesised using aloe vera plant extracts}, journal = {Advanced Science Letters}, volume = {22}, number = {4, SI}, year = {2016}, note = {3rd International Conference on Nanotechnology, Pune, INDIA, OCT 14-15, 2014}, month = {APR}, pages = {869-875}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USA}, abstract = {

M-type SrFe12O19 hexaferrite particles synthesized using the aloe vera plant extract. Biological materials of microorganisms, plants, enzymes have been suggested as an ecological alternative for conventional reagents in physical and chemical methods. In present paper we report effect of temperature on structural, morphology, magnetic and dielectric properties of M-type SrFe12O19 particles synthesised by Green synthesis technique using Aloe vera plant extract. The metal nitrates (Sr and Fe) were dissolved in aloe vera extract solution and then mixture was kept in oil bath at 100 degrees C till it become dry. The obtain dried powder calcined in a wide temperature range, from 450 degrees C to 1150 degrees C for 4 hours in a static air atmosphere. The calcined powders were characterised using various instrumental techniques like Fourier transform infrared spectroscopy (FTIR) X-ray diffractometry (XRD), Scanning electron microscopy (SEM), energy dispersive X-ray spectroscopy (EDX), Vibrating Sample Magnetometry (VSM), and dielectric measurements. XRD, FTIR, SEM, Magnetic and dielectric measurements were carried out at room temperature. XRD analysis confirms the formation of mono phase of strontium hexaferrite at 1150 degrees C.

}, keywords = {Aloe Vera Extract, green synthesis, M-Type Hexaferrite, Strontium Hexaferrite}, issn = {1936-6612}, doi = {10.1166/asl.2016.6935}, author = {Solanki, Neha and Jotania, R. B. and Khomane, Ramdas B. and Kulkarni, B. D.} } @article {43394, title = {Effect of mixed acid catalysis on pretreatment and enzymatic digestibility of sugar cane bagasse}, journal = {Energy \& Fuels}, volume = {30}, year = {2016}, month = {SEP}, pages = {7310-7318}, abstract = {Aqueous pretreatment using homogeneous acid catalyst is considered as a low-cost technology in the production of lignocellulosic bioethanol. To establish the synergism of mixed acids, pilot-level aqueous pretreatments of bagasse covering a wide range of combined severity (CS) were carried out. To investigate the effect of application of mixture of acids on xylose hydrolysis as well as glucose hydrolysis via pretreatment and enzymatic hydrolysis, the following three combinations of acids were explored: (1) oxalic acid + sulfuric acid (organic + mineral acid), (2) phosphoric + sulfuric acid (mineral acids), and (3) ferric chloride + sulfuric acid (Lewis acid with a mineral acid). Of the pretreatments evaluated, the synergism was most pronounced for the combination of sulfuric and phosphoric acid, which resulted in more than 90\% conversion of hemicellulose to xylose and 70\% conversion of cellulose to glucose through enzymatic hydrolysis. Fourier transform infrared (FTIR) studies of pretreated samples showed higher syringyl/guaiacyl (S/G) ratio for sulfuric and phosphoric acid combination pretreatment, leading to higher enzymatic conversion. FTIR and dynamic light scattering (DLS) experiments conducted on pretreated sugar cane bagasse provided useful correlation with regard to the pretreatment type, particle size, and enzymatic hydrolysis.}, doi = {10.1021/acs.energyfuels.6b01011}, author = {Pal, Siddhartha and Joy, Shereena and Kumbhar, Pramod and Trimukhe, K. D. and Varma, Anjanikumar and Padmanabhan, Sasisanker} } @article { 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.} } @conference { ISI:000375945500074, title = {Effect of sintering temperature and vinca petals extract on structural and magnetic properties of delafossite CuFeO2}, booktitle = {International Conference On Condensed Matter and Applied Physics (ICC 2015)}, series = {AIP Conference Proceedings}, volume = {1728}, year = {2016}, note = {International Conference on Condensed Matter and Applied Physics (ICC), Bikaner, INDIA, OCT 30-31, 2015}, month = {MAY}, pages = {020074}, publisher = {Govt Engn Coll}, organization = {Govt Engn Coll}, address = {2 Huntington Quadrangle, STE 1NO1, Melville, NY 11747-4501 USA}, abstract = {

Delathssite CuFeO2, multi ferroic powder was synthesized using Sol-Gel auto combustion method. Influence of vinea flower petals extract on structural and magnetic properly of CuFeO2 were investigated. X-ray analysis of normal samples (synthesized without presence of vinca petals extract) shows formation of hematite and ferrite phases while the sample synthesized in presence of vinca petals extract show only mono phase. The absorption bands in FTIR spectra present between 510-460 cm(-1)in both the samples are due to stretching of Fe-O vibrations. VSM analysis shows that the squareness ratio (Mr/Ms) of the sample prepared using vinca petals extract obtains value of squareness ratio \<0.5, which attributes multi domain formation of samples.

}, isbn = {978-0-7354-1375-7}, issn = {0094-243X}, doi = {10.1063/1.4946125}, author = {Dhruv, Preksha N. and Solanki, Neha and Kulkarni, Shailja and Jotania, R. B.}, editor = {Shekhawat, MS and Bhardwaj, S. and Suthar, B.} } @article {43620, title = {Effective noncovalent functionalization of poly(ethylene glycol) to reduced graphene oxidenanosheets through gamma-radiolysis for enhanced lubrication}, journal = {Journal of Physical Chemistry C}, volume = {120}, year = {2016}, month = {FEB}, pages = {2139-2148}, abstract = {High-quality reduced graphene oxide (rGO) nanosheets (NSs) were synthesized by the oxidation of graphite followed by hydrazine treatment for the reduction of the oxygen functionalities. gamma-Radiolysis was then used for the functionalization of the rGO-NSs with poly(ethylene glycol) 200 (PEG200). The functionalization resulted in the intercalation of PEG200 molecules in rGO through hydrogen bonding between the hydroxyl groups of rGO and the oxygen atoms of PEG200 molecules. This resulted in an increase in the d spacing of the graphene sheets and a decrease in the defect density of the carbon network in the rGO. The friction coefficient and wear of sliding steel surfaces were reduced by 38\% and 55\%, respectively, when 0.03 mg mL(-1) PEG200-functionalized rGO dispersed in PEG200 was used. The lubrication properties can be described by bipolar interactions between PEG200 and rGO, leading to effective dispersion. Chemical analysis of wear particles showed decomposition of rGO into nanosized graphite domains, as exhibited by mechanical energy produced in tribo-contact. Moreover, these domains formed effective and stable tribofilms on the steel wear tracks that easily sheared under the action of contact stress. This significantly enhanced the antifriction and antiwear properties, resulting in improved oxidation resistance of PEG200 under the tribo-contact. It was found that, at high rGO concentrations, the lubrication efficiency decreased as a result of graphene-graphene intersheet collisions, producing mechanical energy and chemical defects at contact interfaces.}, doi = {10.1021/acs.jpcc.5b08762}, author = {Gupta, Bhavana and Kumar, Niranjan and Panda, Kalpataru and Melvin, Ambrose A. and Joshi, Shailesh and Dash, Sitaram and Tyagi, Ashok Kumar} } @article { ISI:000377811100004, title = {Enhanced field emission behavior of layered MoSe2}, journal = {Materials Research Express}, volume = {3}, number = {3}, year = {2016}, month = {MAR}, pages = {Article Number: 035003}, publisher = {IOP PUBLISHING LTD}, address = {TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND}, abstract = {

Herein, we report one step facile chemical vapor deposition method for synthesis of single-layer MoSe2 nanosheets with average lateral dimension similar to 60 mu m on 300 nm SiO2/Si and n-type silicon substrates and field emission investigation of MoSe2/Si at the base pressure of similar to 1 x 10(-8) mbar. The morphological and structural analyses of the as-deposited single-layer MoSe2 nanosheets were carried out using an optical microscopy, Raman spectroscopy and atomic force microscopy. Furthermore, the values of turn-on and threshold fields required to extract an emission current densities of 1 and 10 mu A cm(-2), are found to be similar to 1.9 and similar to 2.3 V mu m(-1), respectively. Interestingly, the MoSe2 nanosheet emitter delivers maximum field emission current density of similar to 1.5 mA cm(-2) at a relatively lower applied electric field of similar to 3.9 V mu m(-1). The long term operational current stability recorded at the preset values of 35 mu A over 3 hr duration and is found to be very good. The observed results demonstrates that the layered MoSe2 nanosheet based field emitter can open up many opportunities for their potential application as an electron source in flat panel display, transmission electron microscope, and x-ray generation. Thus, the facile one step synthesis approach and robust nature of single-layer MoSe2 nanosheets emitter can provide prospects for the future development of practical electron sources.

}, keywords = {atomically thin nanosheets, chemical vapor deposition, field emission, layered MoSe2}, issn = {2053-1591}, doi = {10.1088/2053-1591/3/3/035003}, author = {Suryawanshi, Sachin R. and Pawbake, Amit S. and Pawar, Mahendra S. and Jadkar, Sandesh R. and More, Mahendra A. and Late, Dattatray J.} } @article { ISI:000374350600073, title = {Enhancing the strain sensitivity of CoFe2O4 at low magnetic fields without affecting the magnetostriction coefficient by substitution of small amounts of Mg for Fe}, journal = {Physical Chemistry Chemical Physics}, volume = {18}, number = {15}, year = {2016}, month = {APR}, pages = {10516-10527}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Attaining high magnetostrictive strain sensitivity (d lambda/dH) with high magnetostriction strain (lambda) is desirable for sintered polycrystalline cobalt ferrite for various applications. It is shown that substitution of a small amount of Fe3+ by Mg2+ in CoMgxFe2-xO4 (x \< 0.1) gives a comparable maximum magnetostriction coefficient to that of the unsubstituted counterpart, with large improvement in the strain sensitivity at relatively low magnetic fields. A large increase in the magnetostriction coefficient is obtained at low magnetic fields for the substituted compositions. The magnetostriction parameters are further enhanced by magnetic field annealing of the sintered products. The results are analyzed based on powder XRD, Raman spectroscopy, XPS and magnetic measurements and based on the results from these studies, the changes in the magnetostriction parameters are correlated with the changes in the cation distribution, magnetic anisotropy and microstructure.

}, issn = {1463-9076}, doi = {10.1039/c6cp00369a}, author = {Anantharamaiah, P. N. and Joy, Pattayil Alias} } @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 {43434, title = {Evaluation of uttroside B, a saponin from Solanum nigrum Linn, as a promising chemotherapeutic agent against hepatocellular carcinoma}, journal = {Scientific Reports}, volume = {6}, year = {2016}, month = {NOV}, pages = {Article Number: 36318}, abstract = {We report, for the first time, the remarkable efficacy of uttroside B, a potent saponin from Solanum nigrum Linn, against liver cancer. The compound has been isolated and characterized from the leaves of Solanum nigrum Linn, a plant widely used in traditional medicine and is a rich resource of several anticancer molecules. Uttroside B, that comprises of beta-D-glucopyranosyl unit at C-26 of the furostanol and beta-lycotetraosyl unit at C-3, is ten times more cytotoxic to the liver cancer cell line, HepG2 (IC50: 0.5 mu M) than sorafenib (IC50: 5.8 mu M), the only FDA-approved drug for liver cancer. Moreover, it induces cytotoxicity in all liver cancer cell lines, irrespective of their HBV status, while being non-toxic to normal immortalized hepatocytes. It induces apoptosis in HepG2 cells by down-regulating mainly the activation of MAPK and mTOR pathways. The drastic reduction in HepG2-xenograft tumor size achieved by uttroside B in NOD-SCID mice and substantiation of its biological safety through both acute and chronic toxicity studies in Swiss albino mice warrants clinical validation of the molecule against hepatic cancer, for which, the chemotherapeutic armamentarium currently has limited weapons.}, doi = {10.1038/srep36318}, author = {Nath, Lekshmi R. and Gorantla, Jaggaiah N. and Thulasidasan, Arun Kumar T. and Vijayakurup, Vinod and Shah, Shabna and Anwer, Shabna and Joseph, Sophia M. and Antony, Jayesh and Veena, Kollery Suresh and Sundaram, Sankar and Marelli, Udaya K. and Lankalapalli, Ravi S. and Anto, Ruby John} } @article { ISI:000367968700030, title = {Evidence for dry molten globule-like domains in the pH-induced equilibrium folding intermediate of a multidomain protein}, journal = {Journal of Physical Chemistry Letters}, volume = {7}, number = {1}, year = {2016}, month = {JAN}, pages = {173-179}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The role of van der Waals (vdW) packing interactions compared to the hydrophobic effect in stabilizing the functional structure of proteins is poorly understood. Here we show, using fluorescence resonance energy transfer, dynamic fluorescence quenching, red-edge excitation shift, and near- and far-UV circular dichroism, that the pH-induced structural perturbation of a multidomain protein leads to the formation of a state in which two out of the three domains have characteristics of dry molten globules, that is, the domains are expanded compared to the native protein with disrupted packing interactions but have dry cores. We quantitatively estimate the energetic contribution of vdW interactions and show that they play an important role in the stability of the native state and cooperativity of its structural transition, in addition to the hydrophobic effect. Our results also indicate that during the pH-induced unfolding, side-chain unlocking and hydrophobic solvation occur in two distinct steps and not in concerted manner, as commonly believed

}, issn = {1948-7185}, doi = {10.1021/acs.jpclett.5b02545}, author = {Acharya, Nirbhik and Mishra, Prajna and Jha, Santosh Kumar} } @article {45857, title = {Facile O-glycosylation of glycals using Glu-Fe3O4-SO3H, a magnetic solid acid catalyst}, journal = {RSC Advances}, volume = {6}, year = {2016}, month = {AUG}, pages = {30846-30851}, type = {Article}, abstract = {A new glucose derived magnetic solid acid catalyst (Glu-Fe3O4-SO3H) was synthesized in a convenient and ecofriendly manner and well characterized using FTIR, PXRD, EDAX, SEM, and XPS which showed the presence of Fe3O4 embedded on the surface of the catalyst along with -SO3H, -OH and -COOH functional groups. This new heterogeneous catalyst was studied for synthesis of 2-deoxy galactosides/glucosides with good yields and selectivity. Moreover, the catalyst can be easily separated from the reaction with an external magnetic force and reused for a minimum of four times without any significant decrease in the yields of the products after every recycle}, doi = {10.1039/c6ra03305a}, author = {Thombal, R. S. and Jadhav, V. H.} } @article {42990, title = {Fine tuning the composition and nanostructure of Fe-based core-shell nanocatalyst for efficient CO2 hydrogenation}, journal = {Chemnanomat}, volume = {2}, year = {2016}, month = {OCT}, pages = {989-996}, abstract = {

Hydrogenation of CO2 to hydrocarbons is one of the crucial technologies to address the energy deficit and increasing environmental pollution. In this work, we have synthesized and systematically studied the influence of composition and nanostructure of a Fe-based, carbon-coated core shell nanocatalyst. The synthesis method offered good control over the thickness of the carbon coating in the core shell catalyst, which in turn controlled the chemical composition of the core. The results emphasized an optimal amount of Fe3O4, Fe5C2 in the core and partially graphitized carbon in the shell for a high catalytic activity in the conversion of CO2 at atmospheric pressure with higher selectivity to C-2-C-4 olefins.

}, doi = {10.1002/cnma.201600234}, author = {Gupta, Sharad and Jain, Vivek K. and Jagadeesan, Dinesh} } @article {45647, title = {Fluorescent carbon nanodots for targeted in vitro cancer cell imaging}, journal = {Applied Materials Today}, volume = {4}, year = {2016}, month = {SEP}, pages = {71-77}, type = {Article}, abstract = {

Carbon quantum dots (CQDs or C-dots, \<= 10nm in size) are tiny carbon nanoparticles being envisaged in biosensing, bio-imaging and biomolecular/drug delivery. In the present investigation, green fluorescent carbon quantum/nano dots (GCQDs, similar to 3 nm in size) were synthesized through facile chemical slicing method. Further, folic acid (FA) functionalized GCQDs (GCQDs-FA) were obtained to enhance their targeting ability. FA is known to positively influence the binding potential and penetration into the cancer cells because of high abundance of folate receptors (FR) on various cancer cell membranes. We report high biocompatibility, photoluminescence stability and excellent in vitro cancer cell cytoplasm and nucleus targeting performance of GCQDs-FA on MCF-7 breast cancer cells. (C) 2016 Elsevier Ltd. All rights reserved.

}, keywords = {Cancer cell bio-imaging, Carbon quantum/nano dots, Cell cytoplasm and nucleus targeting, Green fluorescence, Photoluminescence stability, Targeting ability}, issn = {2352-9407}, doi = {10.1016/j.apmt.2016.07.001}, author = {Aiyer, Sandhya and Prasad, Rajendra and Kumar, Manoj and Niryikar, K. and Jain, Bhanprakash and Kushwaha, Omkar S.} } @article {43402, title = {Fluorescent probe for bisulfite ions: its application to two-photon tissue imaging}, journal = {Journal of Materials Chemistry B}, volume = {4}, year = {2016}, month = {DEC}, pages = {7888-7894}, abstract = {A benzoxazinone based fluorescent probe for the specific and efficient detection of bisulfite ions in aqueous medium is described. The probe formed a bisulfite/sulphite adduct with an associated turn-on fluorescence response in the red wavelength region. No interference was observed in the detection process from all possible competing anions and molecules, including cyanide ion, cysteine, homocysteine and glutathione. In addition, the probe showed a fast response time, low detection limit, and cell membrane permeability. Furthermore, the probe was two-photon excitable, enabling imaging of endogenous bisulfite ions in HeLa cells as well as in deep tissues from different organs of mouse.}, doi = {10.1039/c6tb02637k}, author = {Agarwalla, Hridesh and Pal, Suman and Paul, Anirban and Jun, Yong Woong and Bae, Juryang and Ahn, Kyo Han and Srivastava, Divesh N. and Das, Amitava} } @article { ISI:000374800700041, title = {Functional characterization and transient expression manipulation of a new sesquiterpene synthase involved in beta-caryophyllene accumulation in Ocimum}, journal = {Biochemical And Biophysical Research Communications}, volume = {473}, number = {1}, year = {2016}, month = {APR}, pages = {265-271}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

The genus Ocimum has a unique blend of diverse secondary metabolites, with major proportion of terpenoids including mono- and sesquiterpenes. Although, beta-Caryophyllene, bicyclic sesquiterpene, is one of the major terpene found in Ocimum species and known to possess several biological activities, not much is known about its biosynthesis in Ocimum. Here, we describe isolation and characterization of beta-caryophyllene synthase gene from Ocimum kilimandscharicum Gurke (OkBCS- GenBank accession no. KP226502). The open reading frame of 1629 bp encoded a protein of 542 amino acids with molecular mass of 63.6 kDa and pl value of 5.66. The deduced amino acid sequence revealed 50-70\% similarity with known sesquiterpene synthases from angiosperms. Recombinant OkBCS converted farnesyl diphosphate to beta-caryophyllene as a major product (94\%) and 6\% alpha-humulene. Expression variation of OkBCS well corroborated with beta-caryophyllene levels in different tissues from five Ocimum species. OkBCS transcript revealed higher expression in leaves and flowers. Further, agro-infiltration based transient expression manipulation with OkBCS over-expression and silencing confirmed its role in beta-caryophyllene biosynthesis. These findings may potentially be further utilized to improve plant defense against insect pests. (C) 2016 Elsevier Inc. All rights reserved.

}, keywords = {beta-Caryophyllene, Natural product biosynthesis, Ocimum, Terpene synthase, Transient expression}, issn = {0006-291X}, doi = {10.1016/j.bbrc.2016.03.090}, author = {Jayaramaiah, Ramesha H. and Anand, Atul and Beedkar, Supriya D. and Dholakia, Shushan B. and Punekar, Sachin A. and Kalunke, Raviraj M. and Gade, Wasudeo N. and Thulasiram, Hirekodathakallu V. and Giri, Ashok P.} } @article {42998, title = {Fungal mediated kinetic resolution of racemic acetates to (R)-alcohols using fusarium proliferatum}, journal = {Tetrahedron Letters}, volume = {57}, year = {2016}, month = {OCT}, pages = {4563-4567}, abstract = {

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

}, doi = {10.1016/j.tetlet.2016.08.084}, author = {Jadhav, Dipesh D. and Patil, Harshal S. and Chaya, Patil S. and Thulasiram, Hirekodathakallu V.} } @article {42992, title = {Ganglioside GM1 interacts with the serotonin1A receptor via the sphingolipid binding domain}, journal = {Biochimica et Biophysica Acta}, volume = {1858}, year = {2016}, month = {NOV}, pages = {2818-2826}, abstract = {

Glycosphingolipids are minor yet essential components of eukaryotic cell membranes and are involved in a variety of cellular processes. Although glycosphingolipids such as GM1 have been previously reported to influence the function of G protein-coupled receptors (GPCRs), the molecular mechanism remains elusive. In this paper, we have explored the interaction of GM1 with the serotonin1A receptor, an important neurotransmitter receptor that belongs to the GPCR family. To examine the molecular basis of the interaction of GM1 with the serotonin1A receptor, we performed a series of coarse-grain molecular dynamics simulations of the receptor embedded in membrane bilayers containing GM1. Our results show that GM1 interacts with the serotonin1A receptor predominantly at the extracellular loop 1 and specifically at the sphingolipid binding domain (SBD). The SBD motif consists of a characteristic combination of aromatic, basic and turn-inducing residues, and is evolutionarily conserved in case of the serotonin1A receptor. The interaction of the SBD site with GM1 appears to stabilize a {\textquoteright}flip-out{\textquoteright} conformation in which W102 of the extracellular loop 1 flips out from the central lumen of the receptor toward the membrane. The population of the {\textquoteright}flip-out{\textquoteright} conformation is increased in the presence of cholesterol. Our data strongly suggest that a direct interaction between GM1 and the SBD site of the serotonin1A receptor may occur in vivo. In view of the reported role of GM1 and the serotonin1A receptor in neurodegenerative diseases, GM1-receptor interaction assumes significance in the context of malfunctioning of neuronal GPCRs under such conditions.

}, doi = {10.1016/j.bbamem.2016.08.009}, author = {Prasanna, X. and Jafurulla, M. and Sengupta, Durba and Chattopadhyay, Amitabha} } @article { ISI:000372172800019, title = {Gas-solid interaction of H-2-Ce0.95Zr0.05O2: new insights into surface participation in heterogeneous catalysis}, journal = {Catalysis Science \& Technology}, volume = {6}, number = {6}, year = {2016}, month = {OCT}, pages = {1746-1756}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A direct interaction between a reduction medium (H-2) and a Ce0.95Zr0.05O2 (CZ) solid surface was explored through ambient pressure photoelectron spectroscopy (APPES), with conventional X-ray and He-I photon sources, in H-2 atmosphere up to 0.1 mbar pressure and 773 K. A porous CZ thin film was prepared by a combination of sol-gel and spin-coating methods, and was employed to understand the redox nature of ceria under reduction conditions. The maximum of 45\% Ce3+ along with the corresponding oxygen vacancy was observed due to reduction. An unprecedented decrease in the valence band (VB) energy up to 1.4 eV was observed on reduction along with a narrowing of VB. The highest occupied energy band derived from Ce 4f also shifts closer to E-F. H-2 molecular vibration observed in VB-APPES was employed as a probe to explore the surface potential changes along with the dynamic change in the nature of the surface under reduction conditions. The surface potential decreases by 0.27 eV up to 673 K, and then it reverts by 0.24 eV on further reduction at 773 K for different reasons. Further, an enhancement in the Ce 5d-O 2p interaction occurs at the expense of the Ce 4f-O 2p interaction under the above reduction conditions. Vacuum annealing and H-2 reduction after that show significantly more VB shift and enhanced reduction than H-2 reduction alone. Although Ce reduction occurs on high temperature vacuum annealing of CZ, a significantly lower amount of oxygen vacancies appears. This study shows the dynamic changes in the nature of the surface due to a gas (H-2)-solid (CZ) interaction and ensuing electronic structure changes that influence heterogeneous catalysis. It also underscores the necessity to study the catalytic materials under in situ conditions or closer to that.

}, issn = {2044-4753}, doi = {10.1039/c5cy01428j}, author = {Jain, Ruchi and Dubey, Anjani and Ghosalya, Manoj Kumar and Gopinath, Chinnakonda S.} } @article {42688, title = {Glycation induces conformational changes in Amyloid-? peptide and enhances its aggregation propensity: molecular insights}, journal = {Physical Chemistry Chemical Physics}, volume = {18}, year = {2016}, month = {OCT}, pages = {31446-31458}, doi = {10.1039/C6CP05041G}, author = {Jana, Asis K. and Batkulwar, Kedar B. and Kulkarni, Mahesh J. and Sengupta, Neelanjana} } @article {43011, title = {Graphene quantum dot-based on-chip electrochemical DNA hybridization sensor for pancreatic cancer}, journal = {Reports in Electrochemistry}, volume = {6}, year = {2016}, month = {NOV}, pages = {31-40}, doi = {10.2147/RIE.S83253}, author = {Joshi, Preeti Nigam and Waghmode, S} } @inbook {43013, title = {Graphene quantum dots - from emergence to nanotheranostic applications}, booktitle = {Smart Drug Delivery System}, year = {2016}, publisher = {Intech}, organization = {Intech}, chapter = {7}, address = {Croatia}, doi = {10.5772/61932}, author = {Joshi, Preeti Nigam and Kundu, Subir and Sanghi, Sunil K. and Sarkar, Dhiman} } @article {43004, title = {Green chemistry in nanotechnology: opportunities and future challenges}, journal = {Research and Reviews: Journal of Chemistry}, volume = {5}, year = {2016}, month = {JAN}, pages = {3-4}, author = {Joshi, Preeti Nigam} } @article { ISI:000365857100003, title = {Green synthesis of silver nanoparticles from purple acid phosphatase apoenzyme isolated from a new source limonia acidissima}, journal = {Journal of Experimental Nanoscience}, volume = {11}, number = {1}, year = {2016}, month = {JAN}, pages = {28-37}, publisher = {TAYLOR \& FRANCIS LTD}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {

Green synthesis of nanoparticles is regarded as a safe and non-toxic process whereas conventional synthesis using chemical methods produces toxic substance. This study provides a novel insight for enzymatic synthesis method of silver nanoparticles using purple acid phosphatase, isolated from Limonia acidissima (wood apple) as a new source and used in the synthesis of silver nanoparticles. Stable silver nanoparticles were produced by sonochemical method using apoenzyme as a stabilising and capping agent and were characterised by various physicochemical techniques like UV-Visible spectroscopy, Fourier-transform infrared, X-ray diffraction and transmission electron microscopy. X-ray study shows that nanoparticles are composed of silver and silver oxide. The synthesised nanoparticles exhibited excellent antimicrobial activity against Escherichia coli, Pseudomonas aeruginosa and Staphylococcus aureus.

}, keywords = {green synthesis, Limonia acidissima, purple acid phosphatase, silver nanoparticles}, issn = {1745-8080}, doi = {10.1080/17458080.2015.1025300}, author = {Pawar, Omkar and Deshpande, Neelima and Dagade, Sharda and Waghmode, Shobha and Joshi, Preeti Nigam} } @article { ISI:000381834800016, title = {Hierarchical K/LTL zeolites: synthesis by alkali treatment, characterization and catalytic performance in knoevenagel condensation reaction}, journal = {Journal of Industrial and Engineering Chemistry}, volume = {40}, year = {2016}, month = {AUG}, pages = {128-136}, publisher = {ELSEVIER SCIENCE INC}, address = {360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA}, abstract = {

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

}, keywords = {Basicity, Hierarchical zeolite, K/LTL, Knoevenagel condensation, Micro-mesoporous composite}, issn = {1226-086X}, doi = {10.1016/j.jiec.2016.06.016}, author = {Tangale, Nilesh P. and Sonar, Shilpa K. and Niphadkar, Prashant S. and Joshi, Praphulla N.} } @article {43585, title = {High performance humidity sensor and photodetector based on SnSe nanorods}, journal = {Materials Research Express}, volume = {3}, year = {2016}, month = {OCT}, pages = {Article Number: 105038}, abstract = {Tin selenide (SnSe) nanorods were synthesized using a. one-step solvothermal route and. their. humidity sensing and photodetection performance at room temperature were investigated. The results depict. that SnSe nanorod-based humidity and photosensors have. good long-term stability, are. highly sensitive and have. fast response and recovery times. In the. case of the. humidity sensor it was observed that the resistance of the films decreased. with increasing relative humidity (RH). The humidity sensing behaviors were investigated in the range. 11-97\% RHat room temperature. A. response time of similar to 68 s and recovery time of similar to 149 s were observed for. the humidity sensor. The photosensing behavior showed. typical response/recovery times of similar to 3 s with highly reproducible behavior.}, doi = {10.1088/2053-1591/3/10/105038}, author = {Pawbake, Amit S. and Jadkar, Sandesh R. and Late, Dattatray J.} } @article { ISI:000369753300003, title = {Highly stereoselective, intermolecular haloetherification and haloesterification of allyl amides}, journal = {Synthesis-Stuttgart}, volume = {48}, number = {3}, year = {2016}, month = {FEB}, pages = {A25-A28}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, issn = {0039-7881}, author = {Soltanzadeh, Bardia and Jaganathan, Arvind and Borhan, Babak} } @article { ISI:000370211400055, title = {Highly transparent wafer-scale synthesis of crystalline WS2 nanoparticle thin film for photodetector and humidity-sensing applications}, journal = {ACS Applied Materials \& Interfaces}, volume = {8}, number = {5}, year = {2016}, month = {FEB}, pages = {3359-3365}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

In the present investigation, we report a one-step synthesis method of wafer-scale highly crystalline tungsten disulfide (WS2) nanoparticle thin film by using a modified hot wire chemical vapor deposition (HW-CVD) technique. The average size of WS2 nanoparticle is found to be 25-40 nm over an entire 4 in. wafer of quartz substrate. The low-angle XRD data of WS2 nanoparticle shows the highly crystalline nature of sample along with orientation (002) direction. Furthermore, Raman spectroscopy shows two prominent phonon vibration modes of E12g and A1g at similar to 356 and similar to 420 cm(-1), respectively, indicating high purity of material. The TEM analysis shows good crystalline quality of sample. The synthesized WS2 nanoparticle thin film based device shows good response to humidity and good photosensitivity along with good long-term stability of the device. It was found that the resistance of the films decreases with increasing relative humidity (RH). The maximum humidity sensitivity of 469\% along with response time of similar to 12 s and recovery time of similar to 13 s were observed for the WS2 thin film humidity sensor device. In the case of photodetection, the response time of similar to 51 s and recovery time of similar to 88 s were observed with sensitivity similar to 137\% under white light illumination. Our results open up several avenues to grow other transition metal dichalcogenide nanoparticle thin film for large-area nanoelectronics as well as industrial applications.

}, keywords = {chemical vapor deposition, humidity sensor, nanoparticle, photosensor, thin film, tungsten disulfide}, issn = {1944-8244}, doi = {10.1021/acsami.5b11325}, author = {Pawbake, Amit S. and Waykar, Ravindra G. and Late, Dattatray J. and Jadkar, Sandesh R.} } @article {42689, title = {Hydralazine inhibits amyloid beta (Aβ) aggregation and glycation and ameliorates Aβ1{\textendash}42 induced neurotoxicity}, journal = {RSC Advances}, volume = {6}, year = {2016}, month = {NOV}, pages = {108768-108776}, doi = {10.1039/C6RA20225J}, author = {Batkulwar, Kedar B. and Jana, Asis K. and Godbole, Rashmi K. and Khandelwal, Puneet and Sengupta, Neelanjana and Kulkarni, Mahesh J.} } @article { ISI:000369096800004, title = {Improved performance of microcapsules with polymer nanocomposite wall: preparation and characterization}, journal = {Polymer}, volume = {83}, year = {2016}, month = {JAN}, pages = {27-33}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Polyurea/clay nanocomposite microcapsules containing dimethyl phthalate (DMP) as a model compound were prepared by interfacial polymerization technique. Nanoclays namely, montmorillonite Na+ (MMT) and Laponite were incorporated into microcapsule wall and their effects on morphology, thermal properties and release of DMP from microcapsules were investigated. All microcapsules were characterized using scanning electron microscope (SEM), X-ray diffraction (XRD), transmission electron microscope (TEM), thermogravimetric analysis (TGA) and Fourier transform infrared (FTIR) spectroscopy. The present preparation process results in formation of polyurea/clay nanocomposite microcapsule wall with intercalated clay layered as evidenced by XRD and TEM. Nanocomposite microcapsules have shown significant reduction in release of DMP and change in release mechanism as compared to the pristine microcapsules. Nanocomposite microcapsules show good improvement in the fracture strength as compared to pristine microcapsules. The approach used herein is simple and can be adopted to many other polymeric microcapsule systems prepared by different microencapsulation techniques, requiring reduction in release rate and/or mechanism for several applications like pharmaceuticals, agrochemicals, industrially important chemicals, consumer products, etc. (C) 2015 Elsevier Ltd. All rights reserved.

}, keywords = {Microcapsules, Nanoclay, Nanocomposites, Polyurea, Release mechanism}, issn = {0032-3861}, doi = {10.1016/j.polymer.2015.12.011}, author = {Jagtap, Siddheshwar B. and Mohan, Muthu Subramanian and Shukla, Parshuram G.} } @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 {43419, title = {Influence of carbon and phosphorus doping on electronic properties of ZnO}, journal = {Journal of Materials Science-Materials in Electronics}, volume = {27}, year = {2016}, month = {DEC}, pages = {12318-12322}, abstract = {ZnO is one of the most promising candidate for photoelectrochemical splitting of water for hydrogen production. To increase the efficiency of ZnO based photoelectrochemical cell, its band-gap and band edges should be tailored to match visible light spectra and water redox potential respectively. In this paper, First-principles density functional theory calculations have been performed to evaluate the effect of non-metal dopants on electronic properties of ZnO. The model structures of X-doped ZnO were constructed using 32-atom 2 x 2 x 2 supercell of wurtzite ZnO with one O atom replaced with X (carbon C, phosphorus P). With respect to the electronic band structure, C (2p), P (3p) states are located above the valence band maximum of ZnO and mixing of these states is feeble to produce significant band gap narrowing. Doping of these non-metals dopants helps in the creation of isolated states which enhances visible light absorption of ZnO. Our theoretical calculations are consistent with the experimental results of C (P) doped ZnO and fully explains its visible light activity on non-metal doping.}, doi = {10.1007/s10854-016-5192-z}, author = {Sharma, Vidhika and Prasad, Mohit and Jadkar, Sandesh and Pal, Sourav} } @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 { ISI:000369591400061, title = {Large area chemical vapor deposition of monolayer transition metal dichalcogenides and their temperature dependent Raman spectroscopy studies}, journal = {Nanoscale}, volume = {8}, number = {5}, year = {2016}, month = {JAN}, pages = {3008-3018}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

We investigate the growth mechanism and temperature dependent Raman spectroscopy of chemical vapor deposited large area monolayer of MoS2, MoSe2, WS2 and WSe2 nanosheets up to 70 mu m in lateral size. Further, our temperature dependent Raman spectroscopy investigation shows that softening of Raman modes as temperature increases from 80 K to 593 K is due to the negative temperature coefficient and anharmonicity. The temperature dependent softening modes of chemical vapor deposited mono-layers of all TMDCs were explained on the basis of a double resonance phonon process which is more active in an atomically thin sample. This process can also be fundamentally pertinent in other emerging two-dimensional layered and heterostructured materials.

}, issn = {2040-3364}, doi = {10.1039/c5nr07401k}, author = {Pawbake, Amit S. and Pawar, Mahendra S. and Jadkar, Sandesh R. and Late, Dattatray J.} } @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 {42739, title = {Mechanistic insights into pincer-ligated palladium-catalyzed arylation of azoles with aryl Iodides: evidence of a Pd-II-Pd-IV-Pd-II pathway}, journal = {Organometallics}, volume = {35}, year = {2016}, month = {MAR}, pages = {875{\textendash}886}, abstract = {

Pincer-based (R2POCNR'2)PdCl complexes along with CuI cocatalyst catalyze the arylation of azoles with aryl iodides to give the 2-arylated azole products. Herein, we report an extensive mechanistic investigation for the direct arylation of azoles involving a well-defined and highly efficient (iPr2POCNEt2)PdCl (2a) catalyst, which emphasizes a rare PdII{\textendash}PdIV{\textendash}PdII redox catalytic pathway. Kinetic studies and deuterium labeling experiments indicate that the C{\textendash}H bond cleavage on azoles occurs via two distinct routes in a reversible manner. Controlled reactivity of the catalyst 2a underlines the iodo derivative (iPr2POCNEt2)PdI (3a) to be the resting state of the catalyst. The intermediate species (iPr2POCNEt2)Pd-benzothiazolyl (4a) has been isolated and structurally characterized. A determination of reaction rates of compound 4a with electronically different aryl iodides has revealed the kinetic significance of the oxidative addition of the C(sp2){\textendash}X electrophile, aryl iodide, to complex 4a. Furthermore, the reactivity behavior of 4a suggests that the arylation of benzothiazole proceeds via an oxidative addition/reductive elimination pathway involving a (iPr2POCNEt2)PdIV(benzothiazolyl)(Ar)I species, which is strongly supported by DFT calculations.

}, doi = {10.1021/acs.organomet.6b00003}, author = {Khake, Shrikant M. and Jagtap, Rahul A. and Dangat, Yuvraj B. and Gonnade, Rajesh G. and Vanka, Kumar and Punji, Benudhar} } @article { ISI: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:000368702300006, title = {Molecular interaction of selected phytochemicals under the charged environment of Plasmodium falciparum chloroquine resistance transporter (PfCRT) model}, journal = {Journal of Biomolecular Structure \& Dynamics}, volume = {34}, number = {2}, year = {2016}, month = {FEB}, pages = {290-303}, publisher = {TAYLOR \& FRANCIS INC}, address = {530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA}, abstract = {

Phytochemicals of Catharanthus roseus Linn. and Tylophora indica have been known for their inhibition of malarial parasite, Plasmodium falciparum in cell culture. Resistance to chloroquine (CQ), a widely used antimalarial drug, is due to the CQ resistance transporter (CRT) system. The present study deals with computational modeling of Plasmodium falciparum chloroquine resistance transporter (PfCRT) protein and development of charged environment to mimic a condition of resistance. The model of PfCRT was developed using Protein homology/analogy engine (PHYRE ver 0.2) and was validated based on the results obtained using PSI-PRED. Subsequently, molecular interactions of selected phytochemicals extracted from C. roseus Linn. and T. indica were studied using multiple-iterated genetic algorithm-based docking protocol in order to investigate the translocation of these legends across the PfCRT protein. Further, molecular dynamics studies exhibiting interaction energy estimates of these compounds within the active site of the protein showed that compounds are more selective toward PfCRT. Clusters of conformations with the free energy of binding were estimated which clearly demonstrated the potential channel and by this means the translocation across the PfCRT is anticipated.

}, keywords = {homology modeling, molecular dynamics, Plasmodium falciparum chloroquine, resistance transporter model}, issn = {0739-1102}, doi = {10.1080/07391102.2015.1028449}, author = {Patel, Saumya K. and Khedkar, Vijay M. and Jha, Prakash C. and Jasrai, Yogesh T. and Pandya, Himanshu A. and George, Linz-Buoy and Highland, Hyacinth N. and Skelton, Adam A.} } @article { ISI:000380054400005, title = {Molecular-Pillar-supported functionalized reduced graphene-oxide for energy efficient lubrication}, journal = {Advanced Materials Interfaces}, volume = {3}, number = {13}, year = {2016}, month = {JUL}, pages = {1600161}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Molecular-pillar-supported basal plane of reduced graphene oxide (rGO) is fabricated by polymerizing polyaniline (PANI). In the presence of poly(ethylene glycol) (PEG200), the gamma-radiolysis is used for modifying the functionalization and improving the structural symmetry of PANI and PEG grafted rGO (PANI-PEG-g-rGO). The PANI is covalently and noncovalently grafted onto the surface of the graphene sheets. Carboxyl groups of rGO are linked to the nitrogen atoms in the PANI backbone and an accompanying noncovalent interaction between alkyl chains of grafted PANI and hydrooxylated rGO is formed. Raman and Fourier transform infra-red results confirm existence of stretching vibrations of benzenoid and quinonoid rings in PANI-PEG-g-rGO-functionalized composite, indicating grafting between PANI and rGO through pi-pi interaction. Furthermore, PEG-functionalization through hydrogen bonding with rGO is confirmed when hydroxyl group from the rGO combines with oxygen of PEG. X-ray photoelectron spectroscopy reveals significant increase in carbon, while loading PANI network with rGO followed by gamma-irradiation. Antifriction and antiwear properties of graphene nanocomposite are considerably enhanced to 68.4\% and 48\%, respectively, as compared to pristine PEG. The unique lubrication properties are explained by PEG functionalized molecular PANI-pillar structure across basal plane of rGO.

}, issn = {2196-7350}, doi = {10.1002/admi.201600161}, author = {Gupta, Bhavana and Kumar, Niranjan and Panda, Kalpataru and Melvin, Ambrose A. and Joshi, Shailesh and Dash, Sitaram} } @article { ISI:000379577800033, title = {Molecules with O-acetyl group protect protein glycation by acetylating lysine residues}, journal = {RSC Advances}, volume = {6}, number = {70}, year = {2016}, month = {JUL}, pages = {65572-65578}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Pharmaceutical intervention for reduction of advanced glycation end products (AGEs) is considered as a therapeutic strategy to attenuate the pathogenesis of diabetes. Many molecules have been reported to possess antiglycation activity, one such example is acetylsalicylic acid (aspirin). It protects proteins from glycation by acetylating the lysine residues. Therefore, in this study we have synthesized and screened molecules containing free N-acetyl, O-acetyl and acetophenone groups. All the selected molecules in this study showed glycation inhibition but interestingly, only molecules with O-acetyl but not N-acetyl and acetophenone groups were capable of acetylating lysine residue. Furthermore, we have demonstrated that pre-acetylation or aspirin treatment prior to the induction of diabetes helps in reducing HbA1c and AGE formation in the streptozotocin induced diabetic mice. Hence pre-acetylation may have an additional therapeutic efficacy of reducing AGE levels in vivo. Incorporation of O-acetyl group into anti-diabetic molecules could be a useful strategy, as it may have an additive effect in reducing AGEs. Identification of such novel acetylating agents represents a new area in the drug discovery process.

}, issn = {2046-2069}, doi = {10.1039/c6ra11313c}, author = {Vannuruswamy, Garikapati and Jagadeeshaprasad, Mashanipalya G. and Kashinath, K. and Kesavan, Suresh K. and Bhat, Shweta and Korwar, Arvind M. and Chougale, Ashok D. and Boppana, Ramanamurthy and Reddy, D. Srinivasa and Kulkarni, Mahesh J.} } @article { ISI:000369681000007, title = {Multifunctional nanocatalysts for tandem reactions: a leap toward sustainability}, journal = {Applied Catalysis A-General}, volume = {511}, year = {2016}, month = {FEB}, pages = {59-77}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Design of new multifunctional nanocatalysts is a hot area of research that aims to introduce multiple types of active sites on a single nanocatalyst. Multifunctional nanocatalysts are useful to carry out a multi-step reaction requiring same or different active sites in a single pot. Such catalysts must possess the active sites at spatially distinct locations to avoid neutralization but yet remain active independently or through cooperative actions. The necessity of nanostructuring the active sites have emerged as the key point in a successful design of the catalysts. The review covers the progress in this area of research done in the last five years. It includes the classification of catalysts based on active sites and structure of active sites at the nanoscale. The review covers exhaustively with 250+ references and ample examples to present the concept succinctly. The review covers the evolution of multifunctional catalysts from the perspective of materials chemistry. (C) 2015 Elsevier B.V. All rights reserved.

}, keywords = {Heterogeneous catalysts, Multifunctional nanocatalysts, Nanostructured materials, Tandem reactions}, issn = {0926-860X}, doi = {10.1016/j.apcata.2015.11.033}, author = {Jagadeesan, Dinesh} } @article {42949, title = {New dinor-cis-labdane diterpene and flavonoids with antimycobacterium activity from colebrookea oppositifolia}, journal = {Planta Medica Letters}, volume = {3}, year = {2016}, month = {MAR}, pages = {e20-e24}, abstract = {

The new 14,15-dinor-cis-labdane diterpene, named (+)-14,15-dinor-9α-hydroxy-cis-labd-11(E)-en-13-one (1), was isolated from the acetone extract of the aerial parts of Colebrookea oppositifolia, along with the known compounds alnustin (2), mosloflavone (3), flindulatin (4), 5,6,7-trimethoxy baicalein (5), tanetin (6), scutellarein 4'-methyl ether (7), apigenin (8), caffeic acid (9), anisofolin A (10), apigetrin (11), and forsythoside A (12). Structures of the new and known compounds were established by detailed analysis of 1D and 2D nuclear magnetic resonance studies. The isolated compounds 1{\textendash}12 were evaluated for their antimycobacterium activity against Mycobacterium tuberculosis H37Ra and Mycobacterium bovis in both dormant and active phases. Compounds 1, 7, and 8 exhibited inhibitory activity against M. tuberculosis with IC50 values in the range of 8.1{\textendash}55.0 {\textmu}M (MIC 14.4{\textendash}119.7 {\textmu}M) in the active phase and 7.4{\textendash}43.5 {\textmu}M (MIC 11.5{\textendash}123.3 {\textmu}M) in the dormant phase. Similarly 1, 7, and 8 exhibited inhibitory activity against M. bovis with IC50 values in the range of 4.1{\textendash}98.5 {\textmu}M (MIC 13.7{\textendash}161.0 {\textmu}M) in the active phase and 4.1{\textendash}111.1 {\textmu}M (MIC 13.0{\textendash}166.4 {\textmu}M) in the dormant phase.

}, doi = {10.1055/s-0042-102200}, author = {Chinchansure, Ashish A. and Arkile, Manisha A. and Shinde, Dinesh R. and Sarkar, Dhiman and Joshi, Swati P.} } @article { ISI:000368583100006, title = {New pimarane diterpenes and other antimycobacterial metabolites from anisochilus verticillatus}, journal = {Natural Product Research}, volume = {30}, number = {6}, year = {2016}, month = {MAR}, pages = {675-681}, publisher = {TAYLOR \& FRANCIS LTD}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {

Phytochemical investigation of the acetone extract of the aerial parts of Anisochilus verticillatus afforded a new 8,9-secopimarane diterpene (1), two new isopimarane diterpenes (2, 3) and the known ursolic acid (4), beta-amyrin (5), -amyrin (6), stigmast-5-en-3-one (7) and hydroxychavicol (8). Structures of the new compounds were elucidated with the help of 1D and 2D nuclear magnetic resonance spectroscopic data, and single crystal X-ray crystallography of compound 3. Compounds 2 and 8 inhibited Mycobacterium tuberculosis H37Ra with an IC50 of 11.3 (IC90 of 20.0g/mL) and 12.5g/mL, respectively. Correspondingly, molecular docking studies with Extra Precision Glide revealed a correlation between score and biological activity for these compounds to describe the molecular basis for the most significant SAR results.

}, keywords = {alanine racemase, Anisochilus verticillatus, antimycobacterial activity, diterpenes, Lamiaceae}, issn = {1478-6419}, doi = {10.1080/14786419.2015.1040990}, author = {Kulkarni, Roshan R. and Shurpali, Ketaki and Khedkar, Vijay M. and Puranik, Vedavati G. and Sarkar, Dhiman and Joshi, Swati P.} } @article { ISI:000374351200005, title = {Next-generation ammonia pretreatment enhances cellulosic biofuel production}, journal = {Energy \& Environmental Science}, volume = {9}, number = {4}, year = {2016}, month = {FEB}, pages = {1215-1223}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A new liquid ammonia pretreatment methodology called Extractive Ammonia (EA) was developed to simultaneously convert native crystalline cellulose I-beta (CI) to a highly digestible cellulose IIII (CIII) allomorph and selectively extract up to B45\% of the lignin from lignocellulosic biomass with near-quantitative retention of all polysaccharides. EA pretreated corn stover yielded a higher fermentable sugar yield compared to the older Ammonia Fiber Expansion (AFEX) process while using 60\% lower enzyme loading. The EA process preserves extracted lignin functionalities, offering the potential to co-produce lignin-derived fuels and chemicals in the biorefinery. The single-stage EA fractionation process achieves high biofuel yields (18.2 kg ethanol per 100 kg untreated corn stover, dry weight basis), comparable to those achieved using ionic liquid pretreatments. The EA process achieves these ethanol yields at industrially-relevant conditions using low enzyme loading (7.5 mg protein per g glucan) and high solids loading (8\% glucan, w/v).

}, issn = {1754-5692}, doi = {10.1039/c5ee03051j}, author = {Sousa, Leonardo da Costa and Jin, Mingjie and Chundawat, Shishir P. S. and Bokade, Vijay V. and Tang, Xiaoyu and Azarpira, Ali and Lu, Fachuang and Avci, Utku and Humpula, James and Uppugundla, Nirmal and Gunawan, Christa and Pattathil, Sivakumar and Cheh, Albert M. and Kothari, Ninad and Kumar, Rajeev and Ralph, John and Hahn, Michael G. and Wyman, Charles E. and Singh, Seema and Simmons, Blake A. and Dale, Bruce E. and Balan, Venkatesh} } @article {42696, title = {Nickel-catalyzed direct alkynylation of C(sp2)-H bonds of amides: an {\textquotedblleft}inverse sonogashira strategy{\textquotedblright} to ortho-alkynylbenzoic acids. just accepted}, journal = {Catalysis Science \& Technology}, volume = {6}, year = {2016}, month = {OCT}, pages = {1946-1951}, abstract = {

Nickel-catalyzed direct alkynylation of C(sp2){\textendash}H bonds of amides using commercially available, inexpensive 8-aminoquinoline as a removable bidentate directing group is described. The present ortho-alkynylation has a broad substrate scope, functional group tolerance and high regiocontrol, and can be scaled up. The efficiency and selectivity of this strategy provide sustainable routes to a diverse array of ortho-alkynylbenzoic acids under Ni(II)-catalyzed conditions.

}, doi = {10.1039/C5CY01299F}, author = {Landge, Vinod Gokulkrishna and Shewale, Chinmay H. and Jaiswal, Garima and Sahoo, Manoj Kumar and Midya, Siba Prasad and Balaraman, Ekambaram} } @article {43020, title = {Nitrogen doping in oxygen-deficient Ca2Fe2O5: a strategy for efficient oxygen reduction oxide catalysts}, journal = {ACS Applied Materials and Interfaces}, volume = {8}, year = {2016}, month = {NOV}, pages = {34387{\textendash}34395}, doi = {10.1021/acsami.6b11718}, author = {Jijil, Chamundi P. and Lokanathan, Moorthi and Chithiravel, Sundaresan and Nayak, Chandrani and Bhattacharyya, Dibyendu and Jha, Shambhu Nath and Babu, P. D. and Kakade, Bhalchandra A. and Devi, R. Nandini} } @article {42606, title = {Passive microrheology in the effective time domain: analysing time dependent colloidal dispersions}, journal = {Soft Matter}, volume = {12}, year = {2016}, month = {AUG}, pages = {8167-8176}, abstract = {

We studied the aging dynamics of an aqueous suspension of LAPONITE (R), a model time dependent soft glassy material, using a passive microrheology technique. This system is known to undergo physical aging during which its microstructure evolves progressively to explore lower free energy states. Optical microscopy is used to monitor the motion of micron-sized tracer probes embedded in a sample kept between two glass plates. The mean square displacements (MSD) obtained from the motion of the tracer particles show a systematic change from a purely diffusive behavior at short aging times to a subdiffusive behavior as the material ages. Interestingly, the MSDs at all the aging times as well as different LAPONITE (R) concentrations superpose remarkably to show a time-aging time master curve when the system is transformed from the real time domain to the effective time domain, which is obtained by rescaling the material clock to account for the age dependent relaxation time. The transformation of the master curve from the effective time domain to the real time domain leads to the prediction of the MSD in real time over a span of 5 decades when the measured data at individual aging times are only over 2 decades. Since the MSD obtained from microrheology is proportional to the creep compliance of a material, by using the Boltzmann superposition principle along with the convolution relation in the effective time domain, we predict the stress relaxation behavior of the system in real time. This work shows that the effective time approach applied to microrheology facilitates the prediction of long time creep and relaxation dynamics of a time dependent soft material by carrying out short time experiments at different aging times.

}, doi = {10.1039/c6sm00829a}, author = {Vyas, Bhavna M. and Orpe, Ashish V. and Kaushal, Manish and Joshi, Yogesh M.} } @article { ISI:000368754700011, title = {Pb2+-N bonding chemistry: recycling of polyaniline-pb nanocrystals waste for generating high-performance supercapacitor electrodes}, journal = {Journal of Physical Chemistry C}, volume = {120}, number = {2}, year = {2016}, month = {JAN}, pages = {911-918}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Understanding of Pb-N bonding chemistry is not only fundamentally important in the view of relativistic inert-pair effect but also is important for therapeutic as well as environmental applications. In the present study, an unusual reactivity of N-containing pi-conjugated polyaniline emeraldine base (EB) toward aqueous Pb2+ ions has been identified. In the course of sequestering Pb2+ ions by EB, cuboid-shaped nanocrystals were isolated. Synchrotron-based X-ray absorption near-edge structure and extended X-ray absorption fine structure techniques were employed to understand Pb-N bonding chemistry in EB-Pb nanocrystals. The adopted methodology of slow exposure of HCl vapor to EB-Pb nanomaterial facilitated the isolation of polyaniline emeraldine-salt (ES) with unique morphological patterns, porosity and electrical conductivity. The electrochemical device based on recycled ES showed high-capacitance value (similar to 606 F/g @1 A/g and similar to 663 F/g @10 mV/s), high-energy density (similar to 14.8 Wh/kg at power density of similar to 663 W/kg) and excellent-cycling stability (only similar to 15\% degradation after 1100 continued cycles at current density of 5 A/g). Notably, ES materials prepared directly from EB and upon exposing HNO3 vapor exhibited greatly inferior device performance.

}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.5b11217}, author = {Jha, Plawan Kumar and Singh, Santosh K. and Gatla, Suresh and Mathon, Olivier and Kurungot, Sreekumar and Ballav, Nirmalya} } @article {43572, title = {PolyHIPE derived freestanding 3D carbon foam for cobalt hydroxide nanorods based highperformance supercapacitor}, journal = {Scientific Reports}, volume = {6}, year = {2016}, month = {OCT}, pages = {Article Number: 35490}, abstract = {The current paper describes enhanced electrochemical capacitive performance of chemically grown Cobalt hydroxide (Co(OH)(2)) nanorods (NRs) decorated porous three dimensional graphitic carbon foam (Co(OH)(2)/3D GCF) as a supercapacitor electrode. Freestanding 3D porous GCF is prepared by carbonizing, high internal phase emulsion (HIPE) polymerized styrene and divinylbenzene. The PolyHIPE was sulfonated and carbonized at temperature up to 850 degrees C to obtain graphitic 3D carbon foam with high surface area (389 m(2) g(-1)) having open voids (14 mu m) interconnected by windows (4 mu m) in monolithic form. Moreover, entangled Co(OH)(2) NRs are anchored on 3D GCF electrodes by using a facile chemical bath deposition (CBD) method. The wide porous structure with high specific surface area (520 m(2) g(-1)) access offered by the interconnected 3D GCF along with Co(OH)(2) NRs morphology, displays ultrahigh specific capacitance, specific energy and power. The Co(OH)(2)/3D GCF electrode exhibits maximum specific capacitance about similar to 1235 F g(-1) at similar to 1 Ag-1 charge-discharge current density, in 1 M aqueous KOH solution. These results endorse potential applicability of Co(OH)(2)/3D GCF electrode in supercapacitors and signifies that, the porous GCF is a proficient 3D freestanding framework for loading pseudocapacitive nanostructured materials.}, doi = {10.1038/srep35490}, author = {Patil, Umakant M. and Ghorpade, Ravindra V. and Nam, Min Sik and Nalawade, Archana C. and Lee, Sangrae and Han, Haksoo and Jun, Seong Chan} } @article { ISI:000368189500001, title = {Potential dual role of eugenol in inhibiting advanced glycation end products in diabetes: proteomic and mechanistic insights}, journal = {Scientific Reports}, volume = {6}, year = {2016}, month = {JAN}, publisher = {NATURE PUBLISHING GROUP}, address = {MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND}, abstract = {

Medicinally important genus Ocimum harbors a vast pool of chemically diverse metabolites. Current study aims at identifying anti-diabetic candidate compounds from Ocimum species. Major metabolites in O. kilimandscharicum, O. tenuiflorum, O. gratissimum were purified, characterized and evaluated for anti-glycation activity. In vitro inhibition of advanced glycation end products (AGEs) by eugenol was found to be highest. Preliminary biophysical analysis and blind docking studies to understand eugenol-albumin interaction indicated eugenol to possess strong binding affinity for surface exposed lysines. However, binding of eugenol to bovine serum albumin (BSA) did not result in significant change in secondary structure of protein. In vivo diabetic mice model studies with eugenol showed reduction in blood glucose levels by 38\% likely due to inhibition of alpha-glucosidase while insulin and glycated hemoglobin levels remain unchanged. Western blotting using anti-AGE antibody and mass spectrometry detected notably fewer AGE modified peptides upon eugenol treatment both in vivo and in vitro. Histopathological examination revealed comparatively lesser lesions in eugenol-treated mice. Thus, we propose eugenol has dual mode of action in combating diabetes; it lowers blood glucose by inhibiting a-glucosidase and prevents AGE formation by binding to epsilon-amine group on lysine, protecting it from glycation, offering potential use in diabetic management.

}, issn = {2045-2322}, doi = {10.1038/srep18798}, author = {Singh, Priyanka and Jayaramaiah, Ramesha H. and Agawane, Sachin B. and Vannuruswamy, Garikapati and Korwar, Arvind M. and Anand, Atul and Dhaygude, Vitthal S. and Shaikh, Mahemud L. and Joshi, Rakesh S. and Boppana, Ramanamurthy and Kulkarni, Mahesh J. and Thulasiram, Hirekodathakallu V. and Giri, Ashok P.} } @article {43413, title = {Preparation and characterization of microcapsules containing industrially important reactive water-soluble polyamine}, journal = {Colloid and Polymer Science}, volume = {294}, year = {2016}, month = {DEC}, pages = {2039-2050}, abstract = {Polyurea microcapsules containing water-soluble reactive polyamine, namely, polyaziridine (A33), were prepared by interfacial polymerization technique in non-aqueous medium, wherein (i) A33 was encapsulated for the first time as a neat amine without forming its salt or adduct and (ii) microcapsules formed were without any deleterious effect on A33. A systematic study was conducted by preparing microcapsules with different polyurea wall architectures. Fourier transform infrared (FTIR) and proton nuclear magnetic resonance (H-1 NMR) spectroscopic analysis of extracted A33 from microcapsules do not show any structural changes during microencapsulation. A titration method was developed to analyze the amount of encapsulated A33 quantitatively. Polyurea microcapsules obtained from reaction of ethylene diamine (E) and isophorone diisocyanate (I) monomers have shown better properties such as encapsulation efficiency and extent of agglomeration. Significant reduction in the size was observed when microcapsules of EI wall material were prepared by homogenizing the initial emulsion of A33 in paraffin oil. The process described in this paper for the preparation of microcapsules is cost-effective and industrially viable, which can find applications in agrochemicals, coatings, self-healing composites, etc.}, doi = {10.1007/s00396-016-3966-8}, author = {Shukla, Parshuram G. and Jagtap, Siddheshwar B. and Biradar, Satish C. and Charpe, Vaibhav P. and Jadhav, Arun S.} } @article { ISI:000378935400002, title = {Pretreatment and enzymatic process modification strategies to improve efficiency of sugar production from sugarcane bagasse}, journal = {3 Biotech}, volume = {6}, year = {2016}, month = {JUN}, pages = {Article Number: 126}, publisher = {SPRINGER HEIDELBERG}, address = {TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY}, abstract = {

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

}, keywords = {Dilute acid treatment, High-solid enzymatic hydrolysis, Pilot-scale pretreatment, Pressure filtration, Solid-liquid separation}, issn = {2190-5738}, doi = {10.1007/s13205-016-0446-2}, author = {Pal, Siddhartha and Joy, Shereena and Trimukhe, Kalpana D. and Kumbhar, Pramod S. and Varma, Anjani J. and Padmanabhan, Sasisanker} } @article { 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 { 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:000380943900048, title = {Proton play in the formation of low molecular weight chitosan (LWCS) by hydrolyzing chitosan with a carbon based solid acid}, journal = {Carbohydrate Polymers}, volume = {151}, year = {2016}, month = {OCT}, pages = {417-425}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Low molecular weight chitosan (LWCS) constitute a special class of value added chemicals that are primarily obtained from crustacean shells, which are the main water pollutants from crabs and shrimp processing centers. Unlike chitin and chitosan, LWCS possess improved solubility in water and aqueous solutions, making them widely applicable in numerous fields ranging from drug delivery to waste water treatment. Among the methods employed for their production, chemical breakdown by strong liquid acids has yielded good success. However, this method is met with severe concerns arising from the harsh nature of liquid acids, which may corrode the reactors for commercial synthesis, and their limited reusability. The physical methods like ultrasound and microwave are energy intensive in nature, while the enzymatic methods are expensive and offers limited scope for reuse. We have attempted to overcome these problems by employing carbon based solid acid (CSA) for hydrolyzing chitosan to LWCS. CSA can be easily produced using activated carbon, a cost-effective and easily available raw material. Reactions were carried out between chitosan and CSA in a hydrothermal glass reactor and the products, separated by cold centrifugation, were purified and dried. The dried products were characterized for their molecular weight and solubility. Results indicated more than ten-fold decrease in the molecular weight of chitosan and the product exhibited water solubility. The CSA could be used upto four times, without regeneration, to give a consistent quality product. The aqueous solution of resulting LWCS exhibited a pH of 6.03 +/- 0.11, as against the acidic pH range of solutions of commercially available LWCS, indicating its suitability for biomedical applications. Our investigation facilitates a {\textquoteleft}green approach{\textquoteright} that may be employed for commercial production of value added chemicals from waste products of marine industry. (C) 2016 Elsevier Ltd. All rights reserved.

}, keywords = {Carbon based solid acid, Chitosan, green synthesis, Hydrolysis, Low molecular weight chitosan}, issn = {0144-8617}, doi = {10.1016/j.carbpol.2016.05.082}, author = {Krishnan, R. Akhil and Deshmukh, Pranjal and Agarwal, Siddharth and Purohit, Poorvi and Dhoble, Deepa Arun and Waske, Prashant and Khandekar, Dileep and Jain, Ratnesh and Dandekar, Prajakta} } @article {45657, title = {Pyramiding PvPGIP2 and TAXI-III but not PvPGIP2 and PMEI enhances resistance against fusarium graminearum}, journal = {Molecular Plant-Microbe Interactions}, volume = {29}, year = {2016}, month = {AUG}, pages = {629-639}, type = {Article}, abstract = {

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

}, issn = {0894-0282}, doi = {10.1094/MPMI-05-16-0089-R}, author = {Tundo, Silvio and Kalunke, Raviraj and Janni, Michela and Volpi, Chiara and Lionetti, Vincenzo and Bellincampi, Daniela and Favaron, Francesco and D{\textquoteright}Ovidio, Renato} } @article { ISI: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 {45871, title = {Relevance of small laboratory animals as models in translational research: challenges and road ahead}, journal = {Journal of Applied Pharmaceutical Science}, volume = {6}, year = {2016}, month = {MAY}, pages = {198-209}, type = {Article}, abstract = {Translational research using small laboratory animals is being done to demonstrate proof of concept, to study pharmacokinetics as well as to understand efficacy and safety of new drug molecules. During the evaluation of a drug candidate, the assessment of efficacy and safety is normally performed in different experiments using various animal models. In such experiments, efficacy is assessed by mimicking the disease state in animal model while safety is investigated in healthy animals. Inventing new drugs using biotechnological and nanotechnological approaches is becoming a major thrust area in drug research. Apart from this, the development of medicine from traditional knowledge like Ayurveda has emerged as major area for drug industry. Use of conventional in-vivo approaches may not prove useful to answer many questions. Transgenic/knock-out/knock-in animals are now getting space in pharmaceutical research for target identification and validation. Predictability of in-vivo research depends on scientific protocols and methods adopted for model selection and development. Various alternative approaches for in-vivo research are being followed. It is a fact that no animal model is 100 \% capable of mimicking the complex human body but still, researchers have not yet found any alternative model which can completely replace in-vivo models. This review is a holistic approach explaining the various animal models being used for translational research, animal ethical issues, alternative approaches available and provides a critical analysis of major issues/challenges faced in translational research using in-vivo approaches. }, doi = {10.7324/JAPS.2016.60531}, author = {Siddiqui, E. A. and Jagdale, P. and Ahire, K. and Jadhav, S. and Khan, S. A. and Bhosle, S. and Pal, A. and Jamdagni, P. and Chaudhari, B.} } @article { ISI:000374349600022, title = {Residue dependent hydrogen-bonding preferences in orthanilic acid-based short peptide beta-turn motifs}, journal = {RSC Advances}, volume = {6}, number = {42}, year = {2016}, month = {MAR}, pages = {35328-35331}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

This communication describes the competition between native beta-turn (C10) and 2-aminobenzenesulfonic acid (SAnt)( orthanilic acid)-based pseudo beta-turn (C11) in their hybrid peptides. Solid-state crystal structure and solution-state NMR studies revealed that C10 and C11 can be simultaneously observed under appropriate conditions. The variable temperature NMR coefficient data suggest that the isolated C11/C14 hydrogen bond is weaker in comparison with the consecutive C10 and C11 turns.

}, issn = {2046-2069}, doi = {10.1039/c6ra05684a}, author = {Jedhe, Ganesh S. and Vijayadas, Kuruppanthara N. and Kotmale, Amol S. and Sangtani, Ekta and Shinde, Dinesh R. and Gonnade, Rajesh G. and Rajamohanan, Pattuparambil R. and Sanjayan, Gangadhar J.} } @article { ISI:000377239000034, title = {Role of primary and secondary surfactant layers on the thermal conductivity of lauric acid coated magnetite nanofluids}, journal = {Journal of Physical Chemistry C}, volume = {120}, number = {21}, year = {2016}, month = {JUN}, pages = {11640-11651}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Lauric (dodecanoic) acid coated magnetite nanoparticles with different amounts of primary and secondary surfactant layers on the surface of the nanoparticles have been synthesized. Two sets of the surfactant coated nanoparticles are prepared; one with a comparable amount of primary surfactant and the other with a comparable amount of secondary surfactant. Nanofluids are prepared by dispersing the surfactant coated nanoparticles in toluene. Stability of the nanofluids is found to decrease with increasing amount of secondary surfactant on the surface of the nanoparticles, due to the increased hydrophilic nature of the particles in the nonpolar solvent. Thermal conductivity and viscosity of the nanofluids are found to increase with increasing amount of the secondary surfactant layer on the surface of the nanoparticles. The enhanced thermal conductivity for fluids with particles having a larger amount of secondary surfactant is ascribed to the lower dispersibility of the particles in toluene due to the exposure of the acid group of the surfactant to the hydrophobic solvent, leading to aggregation of the particles. Only a small increase in the thermal conductivity is observed for fluids with a larger amount of primary surfactant on the surface of the nanoparticles due to the increased dispersibility owing to the large number of hydrophobic tail groups of the surfactant. A larger enhancement in the thermal conductivity is observed in the presence of a small magnetic field for the fluids containing particles with a lower amount of the secondary surfactant. The overall results suggest that the thermal conductivity of the nanofluids depend on the amount and nature of the primary and secondary surfactants on the dispersed particles which in turn determine the interaction between the base fluid and the surfactant and therefore the dispersibility and stability of the nanofluids.

}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.5b12476}, author = {Lenin, Ramanujam and Joy, Pattayil Alias} } @article { ISI:000374626200020, title = {Role of surface synergistic effect on the performance of Ni-based hydrotalcite catalyst for highly efficient hydrogenation of furfural}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {417}, year = {2016}, month = {JUN}, pages = {153-162}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {alcohol-hydrotalcites-selective, Biomass-frurfural-furfuryl, Hydrogenation}, issn = {1381-1169}, doi = {10.1016/j.molcata.2016.03.019}, author = {Manikandan, Marimuthu and Venugopal, Ashok Kumar and Prabu, Kandasamy and Jha, Ratnesh Kumar and Thirumalaiswamy, Raja} } @article {42430, title = {Selective synthesis of N-unsubstituted and N-arylindoles by the reaction of arynes with azirines}, journal = {Journal of Organic Chemistry}, volume = {81}, year = {2016}, month = {SEP}, pages = {8604-8611}, abstract = {

The transition-metal-free and temperature-dependent highly selective reaction of arynes with 2H-azirines allowing the synthesis of either N-unsubstituted or N-arylindoles has been developed. At 60 degrees C, arynes generated from 2-(trimethylsilyl)aryl triflates smoothly insert into 2H-azirines to form 2,3-diarylindoles with high selectivity. Interestingly, when the reaction was performed at -10 degrees C, the selectivity was switched to the formation of 1,2,3-triarylindoles in good yields.

}, doi = {10.1021/acs.joc.6b01472}, author = {Thangaraj, Manikandan and Bhojgude, Sachin Suresh and "Jain, Shailja" and Gonnade, Rajesh G. and Biju, Akkattu T.} } @article {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 {42669, title = {Silver nanoparticles: a new perspective in endodontic therapy}, journal = {OAB Journal}, volume = {7}, year = {2016}, month = {JUN}, pages = { 77-81}, abstract = {

Silver has been in use in medicine since time immemorial because of its antimicrobial properties. But due to the emergence of antibiotics the use of silver has been declined. Several pathogenic bacteria have developed resistance against various antibiotics. This has led to reemergence of silver. Recently nano science and nanotechnology are gaining tremendous popularity. The small size of nanoparticles provides larger surface area and hence increases the effectiveness of nanoparticles. Silver nanoparticles are used in medical and dental applications ranging from silver based wound dressings, silver coated medicinal devices like catheters, endotrachial tubes, bone cements, in gels, lotions, cosmetics, in dental restorative materials, endodontic cements, dental implants caries inhibitory agents, and in prosthesis. The purpose of this article is to discuss briefly the potential role of silver nano particles in endodontic therapy.

}, author = {Jadhav, Rajashree and Bhide, Shrinivas and Bhagavatula L. V. Prasad and Kunchiraman, Bipinraj and Shimpi, Jayesh and Nandhini, Usha} } @conference {45824, title = {Single SnO2 Nanowire: field emission investigations}, booktitle = {2016 29th International Vacuum Nanoelectronics Conference (IVNC)}, year = {2016}, month = {JUL}, publisher = {IEEE, 345 E 47th St, New York, NY 10017 USA}, organization = {IEEE, 345 E 47th St, New York, NY 10017 USA}, address = {345 E 47th St, New York, NY 10017 USA}, abstract = {

The present work deals with the field emission study on multiple SnO2 nanowires synthesized by simple thermal evaporation method. For the realistic analysis of the Fowler Nordheim plot of the semiconducting SnO2, field emission behavior of a single nanowire is studied. A relevant model explaining the field emission mechanism from the single SnO2 nanowire is also proposed by the authors.

}, keywords = {SnO2 nanowire}, isbn = {978-1-5090-2419-3}, author = {Joshi, D. and Joag, Dilip S. and Mulla, Imtiaz S. and Late, Dattatray J.} } @article { ISI:000374037600002, title = {Structural insights and functional implications of inter-individual variability in beta(2)-adrenergic receptor}, journal = {Scientific Reports}, volume = {6}, year = {2016}, month = {APR}, pages = {24379}, publisher = {NATURE PUBLISHING GROUP}, address = {MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND}, abstract = {

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

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

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

}, keywords = {glycol donor, glycosyl acceptor, glycosylation, reusability, Sulfonated graphene oxide}, issn = {0732-8303}, doi = {10.1080/07328303.2015.1120874}, author = {Thombal, Raju S. and Jadhav, Vrushali H.} } @article { ISI:000372766400005, title = {Surface tailored PS/TiO2 composite nanofiber membrane for copper removal from water}, journal = {Journal of Colloid and Interface Science}, volume = {469}, year = {2016}, month = {MAY}, pages = {31-37}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

Polystyrene (PS)/TiO2 composite nanofiber membranes have been fabricated by electrospinning process for Cu2+ ions removal from water. The surface properties of the polystyrene nanofibers were modulated by introducing TiO2 nanoparticles. The contact angle of the PS nanofiber membrane was found to be decreased with increasing concentration of TiO2, depicted enhanced hydrophilicity. These membranes were highly effective in adsorbing Cu2+ ions from water. The adsorption capacity of these membranes was found to be 522 mg/g, which is significantly higher than the results reported by other researchers. This was attributed to enhanced hydrophilicity of the PS/TiO2 composite nanofiber membranes and effective adsorption property of TiO2 nanoparticles. (C) 2016 Elsevier Inc. All rights reserved.

}, keywords = {electrospinning, Metal ion adsorption, Nanofiber, TiO2, Water treatment/purification}, issn = {0021-9797}, doi = {10.1016/j.jcis.2016.01.054}, author = {Wanjale, Santosh and Birajdar, Mallinath S. and Jog, Jyoti Prakash and Neppalli, Ramesh and Causin, Valerio and Karger-Kocsis, Jozsef and Lee, Jonghwi and Panzade, Prasad} } @article {42694, title = {Sustainable Iron-catalyzed direct imine formation by acceptorless dehydrogenative coupling of alcohols with amines}, journal = {Green Chemistry}, volume = {18}, year = {2016}, month = {MAY}, pages = {3232-3238}, abstract = {

The Acceptorless Dehydrogenative Coupling (ADC) of alcohols with amines is reported using a heterogeneous Fe-catalyst. The reaction operates under mild conditions with the liberation of dihydrogen and water as the byproducts. The developed ADC strategy is simple, efficient, exhibits wide functional group tolerance and can be scaled up. The present catalytic approach possesses a dual role; acting as a catalyst as well as being magnetically separable. The sustainable reuse of a heterogeneous iron catalyst is also shown.

}, doi = {10.1039/C6GC00565A}, author = {Jaiswal, Garima and Landge, Vinod Gokulkrishna and Jagadeesan, Dinesh and Balaraman, Ekambaram} } @article { ISI:000367329700060, title = {Synthesis and bioactivity of novel triazole incorporated benzothiazinone derivatives as antitubercular and antioxidant agent}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {26}, number = {2}, year = {2016}, month = {JAN}, pages = {561-569}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

In search of new active molecules against Mycobacterium tuberculosis (MTB) H37Ra and M. bovis BCG, a small focused library of benzothiazinone based 1,2,3-triazoles has been efficiently prepared via click chemistry approach. Several derivatives were found to be promising inhibitors of MTB and M. bovis BCG characterized by lower MIC values (27.34-29.37 mu g/mL). Among all the synthesized compounds, 6c and 6e is the most active compound against MTB and M. bovis BCG. The compounds were further tested for anti-proliferative activity against HeLa, A549 and A431 cell lines using MTT assay and showed no significant cytotoxic activity at the maximum concentration evaluated. Further, the synthesized compounds were found to have potential antioxidant activity with IC50 range = 14.14-47.11 mu g/mL. Furthermore, to rationalize the observed biological activity data, the molecular docking study also been carried out against a potential target MTB DprE1, which revealed a significant correlation between the binding score and biological activity for these compounds. The results of the in vitro and in silico study suggest that the triazole incorporated benzothiazinone may possess the ideal structural requirements for further development of novel therapeutic agents. (C) 2015 Elsevier Ltd. All rights reserved.

}, keywords = {1, 2, 3-Triazole, ADME prediction, Antioxidant, Antitubercular, Docking study}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2015.11.071}, author = {Shaikh, Mubarak H. and Subhedar, Dnyaneshwar D. and Arkile, Manisha A. and Khedkar, Vijay M. and Jadhav, Nandadeep J. and Sarkar, Dhiman and Shingate, Bapurao B.} } @article {45828, title = {Synthesis and characterization of novel polymer-hybrid silver nanoparticles and its biomedical study}, journal = {Materials Today: Proceedings}, volume = {3}, year = {2016}, month = {JUN}, pages = {1949-1957}, type = {Article}, abstract = {

Hybrid polymer metal nanoparticles have advantages over conventional metal nanoparticles with respect to their stability, chemical resistance, antibacterial activity and drug delivery properties. In the current work, we have synthesized novel stimuli-responsive polymer hybrid silver nanoparticles using green synthesis method, where the plant extract is used as a reducing agent in the synthesis. Encapsulating metal nanoparticles with stimuli-responsive soft-polymeric system is novel and provides additional versatility whose functions and properties can be tailored by controlling any of the stimuli such as pH, temperature, ionic strength with respect to their antibacterial activity and physiological condition. Moreover, green synthesis methods have advantages over conventional methods involving chemical reducing agents that are often associated with environmental toxicity because of their enhanced antibacterial and other biological effects. The synthesized hybrid particles were characterized using Dynamic light scattering, UV-Visible spectroscopy and Small angle x-ray scattering. Further, we have investigated the antibacterial and cytotoxicity effect of these hybrid particles against different bacterial cells ( Salmonella) and mammalian cell lines (HCT116) respectively. These results are discussed in the light of previous studied work and these results suggest that our synthesized polymer hybrid nanoparticles are more antibacterial and less cytotoxic than the usual silver nanoparticles. (C) 2015Elsevier Ltd.All rights reserved.

}, keywords = {Antibacterial effect, Cytotoxicity, Polymeric hybrid particless, silver nanoparticles}, doi = {10.1016/j.matpr.2016.04.096}, author = {Verma, Suresh Kumar and Jha, Ealisha and Kiran, K. J. and Bhat, Suresh and Suar, Mrutyunjay and Mohanty, P. S.} } @article { ISI:000373739700025, title = {Synthesis and docking studies of pyrazine-thiazolidinone hybrid scaffold targeting dormant tuberculosis}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {26}, number = {9}, year = {2016}, month = {MAY}, pages = {2224-2228}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The persistence of Mycobacterium tuberculosis (MTB) in dormant stage assists the pathogen to develop resistance against current antimycobactrial drugs. To address this issue, we report herein the synthesis of N-(4-oxo-2 substituted thiazolidin-3yl) pyrazine-2-carbohydrazide derivatives designed by following the molecular hybridization approach using pyrazine and thiazolidenone scaffolds. The compounds were evaluated against MTB H37Ra and Mycobacterium bovis BCG in dormancy model. Most of the compounds had IC50 values in 0.3-1 mu g/ml range. The active compounds were further tested for anti-proliferative activity against THP-1, Panc-1, A549, and MCF-7 cell lines using MTT assay and exhibited no significant cytotoxicity. We also report molecular docking studies using active analogs and MTB Decaprenylphosphoryl-beta-D-ribose-2{\textquoteright}-epimerase (DprE1) to rationalize the biological activity and to provide an insight into the probable mechanism of action and binding mode of hybridized structures. The results obtained validate the use of molecular hybridization approach and also suggest that reported compounds can provide a novel pharmacophore to synthesize lead compounds against dormat MTB. (C) 2016 Elsevier Ltd. All rights reserved.

}, keywords = {docking, Dormant, Hybrid design, Pyrazine, Thiazolidenone, tuberculosis}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2016.03.055}, author = {Chitre, T. S. and Asgaonkar, K. D. and Miniyar, P. B. and Dharme, A. B. and Arkile, Manisha A. and Yeware, A. and Sarkar, Dhiman and Khedkar, Vijay M. and Jha, Prakash C.} } @article { ISI:000370693900022, title = {Synthesis and evaluation of thieno[2,3-d]pyrimidin-4(3H)-ones as potential antitubercular agents (vol 6, pg 2209, 2015)}, journal = {Medchemcomm}, volume = {7}, number = {2}, year = {2016}, month = {DEC}, pages = {379}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, issn = {2040-2503}, doi = {10.1039/c5md90062j}, author = {Borate, Hanumant B. and Annadate, Ritesh A. and Vagh, Sandip S. and Pisal, Mahesh M. and Deokate, Sagar B. and Arkile, Manisha A. and Jadhav, Nandadeep J. and Nawale, Laxman U. and Sarkar, Dhiman} } @article { ISI:000369679500020, title = {Synthesis and self-assembly of dumbbell shaped ZnO sub-micron structures using low temperature chemical bath deposition technique}, journal = {Materials Chemistry and Physics}, volume = {169}, year = {2016}, month = {FEB}, pages = {152-157}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

We report well dispersed horizontal growth of ZnO sub-micron structures using simplest technique ever known i.e. chemical bath deposition (CBD). A set of samples were prepared under two different cases A) dumbbell shaped ZnO grown in CBD bath and B) tubular ZnO structures evolved from dumbbell shaped structures by dissolution mechanism. Single phase wurtzite ZnO formation is confirmed using X-ray diffraction (XRD) technique in both cases. From the morphological investigations performed using scanning electron microscopy (SEM), sample prepared under case A indicate formation of hex bit tool (HBT) shaped ZnO crystals, which observed to self-organize to form dumbbell structures. Further these microstructures are then converted into tubular structures as a fragment of post CBD process. The possible mechanism responsible for the self-assembly of HBT units to form dumbbell structures is discussed. Observed free excitonic peak located at 370 nm in photoluminescence (PL) spectra recorded at 18 K indicate that the micro/nanostructures synthesized using CBD are of high optical quality. (C) 2015 Elsevier B.V. All rights reserved.

}, keywords = {Electron microscopy (STEM, Microstructure, Nanostructures, Optical properties, Photoluminescence spectroscopy, Raman spectroscopy and scattering, TEM and SEM)}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2015.11.042}, author = {Borade, P. and Joshi, K. U. and Gokarna, A. and Lerondel, G. and Walke, P. and Late, Dattatray J. and Jejurikar, S. M.} } @article {43621, title = {Synthesis and study of calixarene-doped polypyrrole-TiO2/ZnO composites: antimicrobial activity and electrochemical sensors}, journal = {Journal of Polymer Research}, volume = {23}, year = {2016}, month = {JAN}, abstract = {The present communication describes the synthesis of an electroactive nanocomposite of calixarene- doped polypyrrole ( PPY) containing an oxide of Ti/ Zn. The additive TiO2/ ZnO serves as an oxidizing agent for the polymerization, thus avoiding the use of hazardous organic solvents while calixarene doping stabilizes the polymer. The materials synthesized herein were characterized by UV- visible spectroscopy, FT- IR spectroscopy, scanning electron microscopy ( SEM), transmission electron microscopy ( TEM), energy- dispersive X- ray spectroscopy ( EDX), X- ray photoelectron spectroscopy ( XPS), and cyclic voltammetry ( CV) of synthesized nanocomposites. It was revealed that the resulting calixarene- doped polypyrrole- TiO2/ ZnO nanocomposite has ( 1) long- time stability, ( 2) significant electrochemical activity for sensing formaldehyde, and ( 3) good antimicrobial activity.}, doi = {10.1007/s10965-016-0921-9}, author = {Waghmode, Babasaheb J. and Husain, Zahid and Joshi, Meenal and Sathaye, Shivaram D. and Patil, Kashinath R. and Malkhede, Dipalee D.} } @article { ISI:000372031300074, title = {Synthesis, biological evaluation and molecular docking studies of N-acylheteroaryl hydrazone derivatives as antioxidant and anti-inflammatory agents}, journal = {Research on Chemical Intermediates}, volume = {42}, number = {3}, year = {2016}, month = {MAR}, pages = {2707-2729}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

In search of new therapeutics with greater potency, three new series of 3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carbohydrazide derivatives have been synthesized and evaluated for their in vitro antioxidant and anti-inflammatory activities. The hydrazones bearing a core pyrazole, chromone and tetrazolo[1,5-a]quinoline scaffold showed promising activities. Interestingly, compounds 3a (EC50 = 06.00 +/- A 2.36) and 5c (EC50 = 07.21 +/- A 0.67) showed the most potent antioxidant activity, while compounds 3a (EC50 = 10.25 +/- A 1.08), 7b (EC50 = 10.50 +/- A 0.99) and 7c (EC50 = 11.18 +/- A 0.15) showed significant anti-inflammatory activity. Furthermore, molecular docking studies also revealed a significant correlation between the binding score and biological activity for these compounds to describe the molecular basis for the structure activity relationship (SAR) results. As these compounds are good cyclooxygenase inhibitors, isoenzyme inhibitory potency studies are warranted.

}, keywords = {Anti-inflammatory, Antioxidant, Docking study, N-Acylhydrazones, Structure-activity relationship}, issn = {0922-6168}, doi = {10.1007/s11164-015-2176-1}, author = {Mahajan, Pravin S. and Nikam, Mukesh D. and Khedkar, Vijay M. and Jha, Prakash C. and Sarkar, Dhiman and Gill, Charansingh H.} } @article { ISI:000371344600027, title = {Synthesis, biological evaluation and molecular docking study of some novel indole and pyridine based 1,3,4-oxadiazole derivatives as potential antitubercular agents}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {26}, number = {7}, year = {2016}, month = {APR }, pages = {1776-1783}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

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

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

}, keywords = {1, 3, 4-Oxadiazole, Antimicrobial activity, Cytotoxicity, Pyrazole, Pyridine, QSAR}, issn = {1054-2523}, doi = {10.1007/s00044-016-1511-4}, author = {Desai, N. C. and Kotadiya, G. M. and Trivedi, A. R. and Khedkar, Vijay M. and Jha, Prakash C.} } @article {45875, title = {Synthesis of fuel intermediates from HMF/fructose}, journal = {Catalysis Letters}, volume = {146}, year = {2016}, month = {OCT}, pages = {1984-1990}, type = {Article}, abstract = {Alkylation of toluene, anisole and mesitylene with HMF and fructose is reported using Glu{\textendash}Fe3O4{\textendash}SO3H solid acid catalyst. HMF was found to alkylate toluene, anisole and mesitylene in high yields and high selectivity under solvent free conditions. Polyalkylation and self etherification of HMF was not observed. The alkylated product on hydrodeoxygenation forms liquid alkanes of different chain lengths which have properties of transportation fuels or diesel fuels. The catalyst was easily recoverable and reusable minimum 5 times to achieve good yields and high selectivity of alkylated product.}, doi = {10.1007/s10562-016-1836-0}, author = {Nale, S. D. and Jadhav, V. H. and } } @article { ISI:000372156200013, title = {Synthesis of Sn-containing anatase (TiO2) by sol-gel method and their performance in catalytic water splitting under visible light as a function of tin content}, journal = {Materials Letters}, volume = {171}, year = {2016}, month = {MAY}, pages = {50-54}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {Semiconductors, Sn2+ doped titania, SnO2/TiO2, Sol-gel preparation, visible light, water splitting}, issn = {0167-577X}, doi = {10.1016/j.matlet.2016.02.055}, author = {Tangale, N. P. and Niphadkar, P. S. and Samuel, V. and Deshpande, Suvarna S. and Joshi, P. N. and Awate, S. V.} } @article {45876, title = {Synthesis of tyrosyl-DNA phosphodiesterase i inhibitors}, journal = {Tetrahedron Letters}, volume = {57}, year = {2016}, month = {JUN}, pages = {2652-2654}, type = {Article}, abstract = {The first report for the synthesis of tyrosyl-DNA phosphodiesterase I inhibitors 3,4-dimethoxyphenol-1-β-d-(6'-O-galloyl)glucopyranoside 3 and 3-(4-hydroxy-3-methoxyphenyl)propane-1,2-diol 2-β-d-(6'-O-galloyl) glucopyranoside 5 has been accomplished starting from readily available d-glucose as a starting material. An efficient and general approach has been reported for the synthesis of compounds 3 and 5 with an overall yield of 26\% and 27\%, respectively.}, doi = {10.1016/j.tetlet.2016.05.017}, author = {Nale, S. D. and Jadhav, V. H.} } @article { ISI:000381180000001, title = {Targeted quantification of N-1-(carboxymethyl) valine and N-1-(carboxyethyl) valine peptides of beta-hemoglobin for better diagnostics in diabetes}, journal = {Clinical Proteomics}, volume = {13}, year = {2016}, month = {MAR}, pages = {Article Number: 7}, publisher = {BIOMED CENTRAL LTD}, address = {236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND}, abstract = {

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

}, keywords = {Diabetes, Diagnosis, Glycation, Glycemic control, HbA1c, Mass spectrometry}, issn = {1542-6416}, doi = {10.1186/s12014-016-9108-y}, author = {Jagadeeshaprasad, Mashanipalya G. and Batkulwar, Kedar B. and Meshram, Nishita N. and Tiwari, Shalbha and Korwar, Arvind M. and Unnikrishnan, Ambika G. and Kulkarni, Mahesh J.} } @article {43580, title = {Temperature dependent raman spectroscopy and sensing behavior of few layer SnSe2nanosheets}, journal = {Chemistryselect}, volume = {1}, year = {2016}, month = {OCT}, pages = {5380-5387}, abstract = {Two- dimensional (2D) tin diselenide (SnSe2) nanosheets were synthesized using solvothermal route in one step and perform its humidity sensing, photo sensing and temperature dependant Raman spectroscopy studies. The sensor devices based on few layer SnSe2 nanosheets were prepared and which shows fast response as well as recovery time along with good long-term stability and high sensitivity. The photo sensing behavior shows the typical response time and recovery time to be similar to 310 ms and similar to 340 ms respectively for visible light illumination. The room temperature humidity sensing behaviors were studied in the range of 11-97\% relative humidity (RH). The ob-served sensitivity of similar to 81\% with response time of similar to 74 sec and recovery time of similar to 30 sec were calculated for the few layer SnSe2 nanosheets based humidity sensor. The humidity sensing results confirms the high stability of the device even after six months of time. The temperature dependent Raman spectroscopy investigation in the range of 80 K to 593 K were carried out which shows the negative temperature coefficient and softening of Raman modes as we increases the temperature. The softening modes of SnSe2 nanosheets due to temperature were explained on the basis of a double resonance process which is more active in an atomically thin sample.}, doi = {10.1002/slct.201601347}, author = {Pawbake, Amit S. and Date, Abhijit and Jadkar, Sandesh R. and Late, Dattatray J.} } @article {43635, title = {Temperature dependent Raman spectroscopy of electrochemically exfoliated few layer black phosphorus nanosheets}, journal = {RSC Advances}, volume = {6}, year = {2016}, month = {AUG}, abstract = {The present investigation deals with temperature dependant Raman spectroscopy of electrochemically exfoliated few layer black phosphorus nanosheets. The temperature dependent study illustrates that softening of the A(g)(1), B-2g and A(g)(2) modes occurs as the temperature increases from 78 K to 573 K. The calculated temperature coefficients for the A(g)(1), B-2g and A(g)(2) modes were found to be -0.028 cm(-1) K-1, -0.028 cm(-1) K-1 and -0.018 cm(-1) K-1 respectively. The observed phenomenon can be utilized for characterizing other emerging two-dimensional inorganic layered materials with atomic thickness.}, doi = {10.1039/c6ra15996f}, author = {Pawbake, Amit S. and Erande, Manisha B. and Jadkar, Sandesh R. and Late, Dattatray J.} } @article {42858, title = {Three way catalytic converter reactions aspects at near ambient temperatures on modified pd-surfaces}, journal = {Comptes Rendus Chimie}, volume = {19}, year = {2016}, month = {OCT}, pages = {1363-1369}, abstract = {

The dissolution of oxygen in palladium plays an important role in palladium catalysis. The present study shows that the surface modification (SM) due to the dissolution of atomic oxygen into the subsurfaces of palladium can be used as a control to tune its catalytic activity. CO oxidation and NO + H-2 + O-2 reaction was separately carried out on metallic Pd and on surface modified Pd using a molecular beam instrument and the results were compared. The metallic Pd does not show activity below 400 K for both reactions, whereas the SM-Pd shows activity at near-ambient temperatures. The electronic change due to SM was investigated using ambient pressure photoelectron spectroscopy, and the investigation clearly shows the effect of subsurface oxygen in the ambient temperature activity of palladium. (C) 2016 Academie des sciences. Published by Elsevier Masson SAS. All rights reserved.

}, doi = {10.1016/j.crci.2015.11.019}, author = {Roy, Kanak and Jain, Ruchi and Ghosalya, Manoj Kumar and Reddy, Kasala Prabhakar and Gopinath, Chinnakonda S.} } @article { ISI: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 {42738, title = {Unified strategy for nickel-catalyzed C-2 Alkylation of indoles through chelation assistance}, journal = {ACS Catalysis}, volume = {6}, year = {2016}, month = {JUL}, pages = {5666{\textendash}5672}, abstract = {

A nickel-catalyzed direct C-2 alkylation of indoles through monodentate-chelation assistance has been described. This reaction proceeds via an unusual strategy by the use of a well-designed and defined (quinolinyl)amido{\textendash}nickel catalyst, [{κN,κN,κN-Et2NCH2C(O)(μ-N)C9H6N}Ni(OAc)], providing a solution to the limitations associated with bidentate-chelate auxiliaries. The method allows coupling of indoles with various unactivated primary and secondary alkyl halides with ample substrate scope. This uniquely strategized alkylation proceeded through crucial C{\textendash}H activation and via an alkyl radical intermediate. The reaction by this approach represents a rare example of Ni-catalyzed monodentate-chelate-assisted C{\textendash}H functionalization.

}, doi = {10.1021/acscatal.6b02003}, author = {Soni, Vineeta and Jagtap, Rahul A. and Gonnade, Rajesh G. and Punji, Benudhar} } @article { ISI:000371953000024, title = {Unraveling origins of the heterogeneous curvature dependence of polypeptide interactions with carbon nanostructures}, journal = {Physical Chemistry Chemical Physics}, volume = {18}, number = {8}, year = {2016}, month = {FEB}, pages = {5910-5924}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

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

}, issn = {1463-9076}, doi = {10.1039/c5cp04675k}, author = {Jana, Asis K. and Tiwari, Mrityunjay K. and Vanka, Kumar and Sengupta, Neelanjana} } @article { ISI:000380565100006, title = {Virtual screening techniques to probe the antimalarial activity of some traditionally used phytochemicals}, journal = {Combinatorial Chemistry \& High Throughput Screening}, volume = {19}, number = {7}, year = {2016}, month = {JUL}, pages = {572-591}, publisher = {BENTHAM SCIENCE PUBL LTD}, address = {EXECUTIVE STE Y-2, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB EMIRATES}, abstract = {

Malaria parasites show resistance to most of the antimalarial drugs and hence developing antimalarials which can act on multitargets rather than a single target will be a promising strategy of drug design. Here we report a new approach by which virtual screening of 292 unique phytochemicals present in 72 traditionally important herbs is used for finding out inhibitors of plasmepsin-2 and falcipain-2 for antimalarial activity against P. falciparum. Initial screenings of the selected molecules by Random Forest algorithm model of Weka using the bioassay datasets AID 504850 and AID 2302 screened 120 out of the total 292 phytochemicals to be active against the targets. Toxtree scan cautioned 21 compounds to be either carcinogenic or mutagenic and were thus removed for further analysis. Out of the remaining 99 compounds, only 46 compounds offered drug-likeness as per the {\textquoteleft}rule of five{\textquoteright} criteria. Out of ten antimalarial drug targets, only two target proteins such as 3BPF and 3PNR of falcipain-2 and 1PFZ and 2BJU of plasmepsin-2 are selected as targets. The potential binding of the selected 46 compounds to the active sites of these four targets was analyzed using MOE software. The docked conformations and the interactions with the binding pocket residues of the target proteins were understood by {\textquoteleft}Ligplot{\textquoteright} analysis. It has been found that 8 compounds are dual inhibitors of falcipain-2 and plasmepsin-2, with the best binding energies. Compound 117 (6aR, 12aS)-12a-Hydroxy-9-methoxy-2,3-dimethylenedioxy-8-prenylrotenone (Usaratenoid C) present in the plant Millettia usaramensis showed maximum molecular docking score.

}, keywords = {ADME, malaria, Molecular docking, molecular operating environment, Plasmodium falciparum, virtual screening, weka}, issn = {1386-2073}, doi = {10.2174/1386207319666160420141200}, author = {Shibi, Indira G. and Aswathy, Lilly and Jisha, Radhakrishnan S. and Masand, Vijay H. and Gajbhiye, Jayant M.} } @inbook { ISI:000375719300020, title = {What can simulations tell us about GPCRs: integrating the scales}, booktitle = {G Protein-Coupled Receptors: Signaling, Trafficking and Regulation}, series = {Methods in Cell Biology}, volume = {132}, year = {2016}, pages = {429-452}, publisher = {Elsevier Academic Press Inc.}, organization = {Elsevier Academic Press Inc.}, address = {525 B Street, Suite 1900, San Diego, CA 92101-4495 USA :}, abstract = {

The functional dynamics of G protein-coupled receptors (GPCRs) encompasses multiple spatiotemporal scales, ranging from femtoseconds to seconds and Angstroms to micrometers. Computational approaches, often in close collaboration with experimental methods, have been invaluable in unraveling GPCR structure and dynamics at these various hierarchical levels. The binding of natural and synthetic ligands to the wild-type and naturally occurring variant receptors have been analyzed by several computational methods. The activation of receptors from the inactive to the active state has been investigated by atomistic simulations and ongoing work on several receptors will help uncover general and receptor-specific mechanisms. The interaction of GPCRs with complex membranes that contain phospholipids and cholesterol have been probed by coarse-grain methods and shown to directly influence receptor association. In this chapter, we discuss computational approaches that have been successful in analyzing each scale of GPCR dynamics. An overview of these approaches will allow a more judicious choice of the appropriate method. We hope that an appreciation of the power of current computational approaches will encourage more critical collaborations. A comprehensive integration of the different approaches over the entire spatiotemporal scales promises to unravel new facets of GPCR function.

}, isbn = {978-0-12-803612-9; 978-0-12-803595-5}, issn = {0091-679X}, doi = {10.1016/bs.mcb.2015.11.007}, author = {Sengupta, Durba and Joshi, Manali and Athale, Chaitanya A. and Chattopadhyay, Amitabha}, editor = {Shukla, AK} } @article {43430, title = {Wide band gap and conducting tungsten carbide(WC) thin films prepared by hot wire chemical vapor deposition(HW-CVD) method}, journal = {Materials Letters}, volume = {183}, year = {2016}, month = {NOV}, pages = {315-317}, abstract = {

In this letter, we report synthesis of tungsten carbide (WC) thin films having wide band gap(3.22-3.3 eV) with high electrical conductivity (80-1260 S/cm) by HW-CVD using heated using heated W filament and Tetra-fluoro-methane (CF4) gas. Formation of WC was confirmed by low angle XRD, Raman spectroscopy and x-ray photoelectron spectroscopy. UV-Visible spectroscopy analysis revealed that the synthesized films have high transmission at wavelength 500 nm. Electrical properties measured using Hall measurement show that these films are semiconductor. The obtained results imply that the growth of WC thin films is mainly from the atomic species(W and C) evaporated from the hot filament. The HW-CVD opens a novel route to synthesize wide band gap and conducting WC at a cost-efficient way for DSSCs and hydrogen evolution reaction (HER). (C) 2016 Elsevier B. V. All rights reserved.

}, doi = {10.1016/j.matlet.2016.07.132}, author = {Pawbake, Amit and Waykar, Ravindra and Jadhavar, Ashok and Kulkarni, Rupali and Waman, Vaishali and Date, Abhijit and Late, Dattatray J. and Pathan, Habib and Jadkar, Sandesh} } @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 {43932, title = {Abundance matters: role of albumin in diabetes, a proteomics perspective}, journal = {Expert Review of Proteomics}, volume = {14}, year = {2017}, month = {JUL}, type = {Article}, abstract = {Introduction: Human serum albumin (HSA) is a multifaceted protein with vital physiological functions. It is the most abundant plasma protein with inherent capability to bind to diverse ligands, and thus susceptible to various post-translational modifications (PTMs) which alter its structure and functions. One such PTM is glycation, a non-enzymatic reaction between reducing sugar and protein leading to formation of heterogeneous advanced glycation end products (AGEs). Glycated albumin (GA) concentration increases significantly in diabetes and is implicated in development of secondary complications. Areas covered: In this review, we discuss in depth formation of GA and its consequences, approaches used for characterization and quantification of GA, milestones in GA proteomics, clinical relevance of GA as a biomarker, significance of maintaining abundant levels of albumin and future perspectives. Expert commentary: Elevated GA levels are associated with development of insulin resistance as well as secondary complications, in healthy and diabetic individuals respectively. Mass spectrometry (MS) based approaches aid in precise characterization and quantification of GA including early and advanced glycated peptides, which can be useful in prediction of the disease status. Thus GA has evolved to be one of the best candidates in the pursuit of diagnostic markers for prediction of prediabetes and diabetic complications.}, doi = {10.1080/14789450.2017.1352473}, author = {Bhat, Shweta and Jagadeeshaprasad, Mashanipalya G. and Venkatasubramani, Vinashya and Kulkarni, Mahesh J.} } @article {43493, title = {Acetone and methanol fruit extracts of terminalia paniculata inhibit HIV-1 infection in vitro}, journal = {Natural Product Research}, volume = {31}, year = {2017}, month = {JAN}, pages = {1468-1471}, abstract = {In this study, we report the in vitro anti-HIV1 activity of acetone and methanol extracts of fruit of Terminalia paniculata. Cytotoxicity tests were conducted on TZM-bl cells and peripheral blood mononuclear cells (PBMC), the CC50 values of both the extracts were 260g/mL. Using TZM-bl cells, the extracts were tested for their ability to inhibit replication of two primary isolates HIV-1 (X4, Subtype D) and HIV-1 (R5, Subtype C). The activity against HIV-1 primary isolate (R5, Subtype C) was confirmed using activated PBMC and by quantification of HIV-1 p24 antigen. Both the extracts showed anti-HIV1 activity in a dose-dependent manner. The EC50 values of the acetone and methanol extracts of T. paniculata were 10.3g/mL. The enzymatic assays were performed to determine the mechanism of action which indicated that the anti-HIV1 activity might be due to inhibition of reverse transcriptase (77.7\% inhibition) and protease (69.9\% inhibition) enzymes. }, doi = {10.1080/14786419.2016.1258561}, author = {Durge, Ankita and Jadaun, Pratiksha and Wadhwani, Ashish and Chinchansure, Ashish A. and Said, Madhukar and Thulasiram, H. V. and Joshi, Swati P. and Kulkarni, Smita S.} } @article {43830, title = {AgOTf-catalyzed dehydrative [3+2] annulation of aziridines with 2-naphthols}, journal = {Chemical Communications}, volume = {53}, year = {2017}, month = {JUL}, pages = {8219-8222}, abstract = {The reaction of 2-naphthols with aziridines in the presence of AgOTf resulting in a dehydrative, formal [3+2] annulation is reported. The reaction allows the synthesis of functionalized benzoindolines, and tolerates a broad range of functional groups. A preliminary study on themechanism of this reaction indicates an SN1-type ring-opening of aziridines. This method is demonstrated for the one-pot synthesis of benzoindoles.}, doi = {10.1039/c7cc03425c}, author = {Kaicharla, Trinadh and Jacob, Anu and Gonnade, Rajesh G. and Biju, Akkattu T.} } @article {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 {44156, title = {Alternatively packed dry molten globule-like intermediate in the native state ensemble of a multidomain protein}, journal = {Journal of Physical Chemistry B}, volume = {121}, year = {2017}, month = {OCT}, pages = {9336-9347}, type = {Article}, abstract = {It has been difficult to quantify the degree of side-chain conformational heterogeneity in the native (N) state ensemble of proteins and the relative energetic contributions of the side-chain packing and the hydrophobic effect in protein stability. Here, we show using multiple site specific spectroscopic probes and tools of thermodynamics that the N state ensemble of a multidomain protein contains an equilibrium intermediate (I) whose interdomain region resembles a dry molten globule. In the I state, a tryptophan residue in the interdomain region is alternatively packed, but its secondary structure and intradomain packing are N-like. The I state also has a larger interdomain distance, but the domain-domain interface is dry and molten. Our results indicate that hydrophobic desolvation and side-chain packing are decoupled during protein folding and that interdomain packing interactions have an important energetic contribution in protein stability. Dynamic interconversion between alternatively packed N-like states could be important for multiple allosteric and ligand binding functions of this protein.}, doi = {10.1021/acs.jpcb.7b07032}, author = {Mishra, Prajna and Jha, Santosh Kumar} } @article {43933, title = {Anti-microbial activity of chrysomycin a produced by streptomyces sp. against mycobacterium tuberculosis}, journal = {RSC Advances}, volume = {7}, year = {2017}, month = {JUL}, pages = {36335-36339}, type = {Article}, abstract = {Limited efficacy of the BCG (Bacillus Calmette{\textendash}Gu{\'e}rin) vaccine against adult tuberculosis and the emergence of resistance to existing anti-tuberculosis drugs compel discovery of novel antibiotics against Mycobacterium tuberculosis. Actinomycetes are still an attractive platform for the discovery of new antimicrobials, especially from untapped natural hotspots, despite the belief that they are an exhausted resource after repeated re-discoveries. Herein we report the isolation and identification of chrysomycin A from an actinomycete isolated from a coastal area in Kerala. We show for the first time that it has antimycobacterial activity. It was found to be bactericidal to planktonic and intracellular M. tuberculosis with an MIC of 3.125 μg mL$^{-}${\textonesuperior}; it is non-hemolytic and has negligible cytotoxicity. The actinomycete that produces chrysomycin A was found to be a Streptomyces sp. through 16S rRNA gene sequencing.}, doi = {10.1039/C7RA05576E}, author = {Balaji, Muralikrishnan and Dan, Vipin Mohan and Joseph, Vinodh and Jamsheena, Vellekkatt and Ramachandran, Ranjit and Thomas, Sabu and Dastager, Syed Gulam and Kumar, K. Santhosh and Lankalapalli, Ravi Shankar and Kumar, R. Ajay} } @article {45702, title = {Aromatic polyesters containing pendent 4-(phenylsulfonyl)phenyl groups: synthesis and characterization}, journal = {Journal of Polymer Research}, volume = {24}, year = {2017}, month = {MAR }, pages = {57}, type = {Article}, abstract = {

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

}, keywords = {Aromatic polyesters, Bulky pendent group, solubility, thermal stability}, issn = {1022-9760}, doi = {10.1007/s10965-017-1217-4}, author = {Bapat, Snehalata P. and Jadhav, Sushilkumar A. and Valsange, Nitin G. and Tawade, Bhausaheb V. and Honkhambe, Pandurang N. and Chavan, Nayaku N. and Wadgaonkar, Prakash P.} } @article {43949, title = {Assessing therapeutic potential of molecules: molecular property diagnostic suite for tuberculosis}, journal = {Journal of Chemical Sciences}, volume = {129}, year = {2017}, month = {MAY}, pages = {515-531}, type = {Article}, abstract = {

Abstract: Molecular Property Diagnostic Suite (MPDS TB) is a web tool (http://mpds.osdd.net) designed to assist the in silico drug discovery attempts towards Mycobacterium tuberculosis (Mtb). MPDS TB tool has nine modules which are classified into data library (1{\textendash}3), data processing (4{\textendash}5) and data analysis (6{\textendash}9). Module 1 is a repository of literature and related information available on the Mtb. Module 2 deals with the protein target analysis of the chosen disease area. Module 3 is the compound library consisting of 110.31 million unique molecules generated from public domain databases and custom designed search tools. Module 4 contains tools for chemical file format conversions and 2D to 3D coordinate conversions. Module 5 helps in calculating the molecular descriptors. Module 6 specifically handles QSAR model development tools using descriptors generated in the Module 5. Module 7 integrates the AutoDock Vina algorithm for docking, while module 8 provides screening filters. Module 9 provides the necessary visualization tools for both small and large molecules. The workflow-based open source web portal, MPDS TB 1.0.1 can be a potential enabler for scientists engaged in drug discovery in general and in anti-TB research in particular. Graphical Abstract: SYNOPSIS: A web-based MPDS TB Galaxy tool is developed for assessing therapeutic potential of molecules. MPDS TB is categorized into Data Library, Data Processing and Data Analysis. It can be a potential enabler for scientists engaged in drug discovery in general and in anti-TB research in particular. [Figure not available: see fulltext.] {\textcopyright} 2017, Indian Academy of Sciences.

}, keywords = {chemical analysis, Chemoinformatics, computational chemistry, Diagnosis, Drug discovery portal, Information analysis, Libraries, Molecular graphics, Molecules, Neglected diseases, Open science, Portals, tuberculosis, Web-based technology, Websites}, issn = {0974-3626}, doi = {10.1007/s12039-017-1268-4}, author = {Gaur, A. S. and Bhardwaj, A. and Sharma, A. and John, L. and Vivek, M. R. and Tripathi, N. and Bharatam, P. V. and Kumar, R. and Janardhan, S. and Mori, A. and Banerji, A. and Lynn, A. M. and Hemrom, A. J. and Passi, A. and Singh, A. and Kumar, A. and Muvva, C. and Madhuri, C. and Choudhury, C. and Kumar, D. A. and Pandit, D. and Bharti, D. R. and Kumar, D. and Singam, E. A. and Raghava, G. P. and Sailaja, H. and Jangra, H. and Raithatha, K. and Tanneeru, K. and Chaudhary, K. and Karthikeyan, M. and Prasanthi, M. and Kumar, N. and Yedukondalu, N. and Rajput, N. K. and Saranya, P. S. and Narang, P. and Dutta, Prantu and Krishnan, R.} } @article {43771, title = {Band alignment and charge transfer pathway in three phase anatase-rutile-brookite TiO2 nanotubes: an efficient photocatalyst for water splitting}, journal = {Applied Catalysis B-Environmental}, volume = {128}, year = {2017}, month = {DEC}, pages = {9-19}, type = {Journal Article}, abstract = {The study reports electrochemical synthesis, phase evolution and hydrogen generation efficiency of anatase, anatase-rutile and anatase-rutile-brookite (ARB) TiO2 nanotubes for the first time. The SEM and TEM micrographs confirm the tubular morphology of the samples. The presence of anatase, rutile and brookite phases in a single nanotube is confirmed from high resolution TEM analysis. The water splitting efficiency of the three systems are studied under one sun illumination. It is observed that the anatase-rutile-brookite TiO2 nanotubes are highly efficient compared to anatase-rutile or anatase TiO2 nanotubes. The hydrogen generated by ARB composites, after four hours of one sun illumination, is found to be nearly twice that of anatase TiO2 nanotubes and 1.6 times that of anatase-rutile TiO2 nanotubes. The results suggest that the ARB in single nanotube having two junction interfaces, highly facilitate interparticle charge transfer compared to single junction anatase-rutile or bare anatase TiO2 nanotubes. From the deconvolution of PL spectra and the synchrotron radiation assisted valence band edge analysis, the band diagram for the anatase-rutile-brookite phase is constructed. The charge separation and its transfer pathway for efficient photo-assisted water splitting are delineated. This opens a new route for the simple synthesis and study of tri-phase TiO2 for efficient photocatalytic water splitting compared to the widely studied two phase TiO2. (C) 2017 Published by Elsevier B.V.}, keywords = {Anatase-Rutile-Brookite, Hydrogen generation, nanotubes, Photocatalysis, photoluminescence, Valence band edge}, doi = {10.1016/j.apcatb.2017.06.033}, author = {Preethi, L. K. and Mathews, Tom and Nand, Mangla and Jha, S. N. and Chinnakonda, Gopinath S. and Dash, Sitaram} } @article {45674, title = {Biosynthesis of glycomonoterpenes to attenuate quorum sensing associated virulence in bacteria}, journal = {Biotechnology and Applied Biochemistry}, volume = {181 }, year = {2017}, month = {APR}, pages = {1533-1548}, type = {Article}, abstract = {The acquisition of multidrug resistance in bacteria has become a bigger threat of late, mainly due to the bacterial signaling phenomenon, quorum sensing (QS). QS, among a population of bacteria, initiates the formation of biofilms and offers myriad advantages to bacteria. Burgeoning antibiotic resistance in biofilm-producing bacteria has motivated efforts toward finding new alternatives to these traditional antimicrobials. In the present study, we report the increased solubility and additional quorum quenching as well as biofilm disruption activity of glyco-derivatives of monoterpenes (citral and citronellal). Glycomonoterpenes of citral and citronellal were synthesized via conjugation of the monoterpenes with glucose by the non-pathogenic yeast Candida bombicola (ATCC 22214). Structural elucidation of newly synthesized glycomonoterpenes showed that one synthesized using citronellal contains three major lactonic forms with molecular weight 492.43, 473.47, and 330.39 Da whereas the one produced using citral has an acidic form with molecular weight 389.33 and 346.23 Da. The glycomonoterpenes were able to individually inhibit QS, mediated through various medium-chain and long-chain N-acyl homoserine lactones (AHLs). These new compounds are interesting additions to the known range of quorum sensing inhibitors (QSIs) and could be further explored for potential clinical applications.}, doi = {10.1007/s12010-016-2300-8}, author = {Patil, Amrita and Joshi-Navre, Kasturi and Mukherji, Ruchira and Prabhune, Asmita} } @inbook {43968, title = {Characterizing clinically relevant natural variants of GPCRs using computational approaches}, booktitle = {Methods in cell biology}, year = {2017}, abstract = {

G protein-coupled receptors (GPCRs) are an important class of drug targets owing to their physiological role. A large number of clinically relevant single nucleotide polymorphisms (SNPs) have been observed in GPCRs that are linked to disease susceptibility and adverse drug response. It is therefore important to characterize the variants in order to improve GPCR therapeutics. Here, we discuss computational methods coupling molecular dynamics simulations with docking and free energy calculations to characterize the functional differences in GPCR variants. The hallmark of this approach is the explicit incorporation of receptor and membrane dynamics that allows us to analyze short- and long-range effects in the variant receptors. We use the SNPs reported in β2-adrenergic receptor (β2AR) as a test case and highlight the recent successes in analyzing structural and dynamic differences in a series of population variants. The computational approach we discuss here has a twofold benefit: it helps to unravel the molecular mechanisms underlying hypo- or hyperfunctionality of variant receptors as well as prioritizing novel variants that must be experimentally tested.

}, doi = {10.1016/bs.mcb.2017.07.013}, author = {Sengupta, Durba and Sonar, Krushna and Joshi, Manali} } @article {43809, title = {Chickpea-fusarium oxysporum interaction transcriptome reveals differential modulation of plant defense strategies}, journal = {Scientific Reports}, volume = {7}, year = {2017}, month = {AUG}, type = {Article}, abstract = {Fusarium wilt is one of the major biotic stresses reducing chickpea productivity. The use of wilt-resistant cultivars is the most appropriate means to combat the disease and secure productivity. As a step towards understanding the molecular basis of wilt resistance in chickpea, we investigated the transcriptomes of wilt-susceptible and wilt-resistant cultivars under both Fusarium oxysporum f.sp. ciceri (Foc) challenged and unchallenged conditions. Transcriptome profiling using LongSAGE provided a valuable insight into the molecular interactions between chickpea and Foc, which revealed several known as well as novel genes with differential or unique expression patterns in chickpea contributing to lignification, hormonal homeostasis, plant defense signaling, ROS homeostasis, R-gene mediated defense, etc. Similarly, several Foc genes characteristically required for survival and growth of the pathogen were expressed only in the susceptible cultivar with null expression of most of these genes in the resistant cultivar. This study provides a rich resource for functional characterization of the genes involved in resistance mechanism and their use in breeding for sustainable wilt-resistance. Additionally, it provides pathogen targets facilitating the development of novel control strategies.}, doi = {10.1038/s41598-017-07114-x}, author = {Upasani, Medha L. and Limaye, Bhakti M. and Gurjar, Gayatri S. and Kasibhatla, Sunitha M. and Joshi, Rajendra R. and Kadoo, Narendra Y. and Gupta, Vidya S.} } @article {44400, title = {Colloidal nanocomposite of TiN and N-doped few-layer graphene for plasmonics and electrocatalysis}, journal = {ACS Energy Letters}, volume = {2}, year = {2017}, month = {OCT}, pages = {2251-2256}, abstract = {

A combination of high carrier density, high surface area, solution processability, and low cost is desired in a material for electrocatalytic applications, including H-2 evolution and a counter electrode of a solar cell. Also, plasmonic-based applications in biological systems can be derived from such material. In this regard, a colloidal nanocomposite of TiN and N-doped few-layer graphene (TiN NFG) is synthesized from molecular precursors. TiN nano crystals (NCs) provide free electrons for electrical conductivity and plasmonics, whereas NFG is responsible for charge transport, high surface area, and colloidal stability. Colloidal TiN NFG nano composites exhibit a localized surface plasmon resonance band at around 700 nm. Coatings of the nanocomposite form a counter electrode for efficient (8.9\%) dye-sensitized solar cells. Furthermore, the nanocomposite acts as an efficient electrocatalyst for hydrogen evolution reaction, exhibiting an overpotential similar to 161 mV at a current density of 10 mA/cm(2).

}, doi = {10.1021/acsenergylett.7b00741}, author = {Shanker, G. Shiva and Markad, Ganesh B. and Jagadeeswararao, Metikoti and Bansode, Umesh and Nag, Angshuman} } @article {43913, title = {Comparable ionicity of the solutions of aprotic and protic ionic liquids by anion substitution}, journal = {Journal of Solution Chemistry}, volume = {46}, year = {2017}, month = {JUN}, pages = {1-13 }, type = {Article}, abstract = {Temperature dependent molar conductances and fluidities of bisulfate and ethyl sulfate anion-based ionic liquids were measured. The extent of dissociation of the ionic liquids was estimated from the Walden plot in term of ionicity. The ionicity mainly depends on the magnitude of Coulombic forces, altered by the anion{\textquoteright}s Lewis basicity. Aqueous solutions of aprotic ionic liquids, in general, possesses ionicity in the range of ≈70{\textendash}99\%. This article reveals that the substitution of the anion by bisulfate and ethylsulfate reduces the ionicity of aqueous solution of these ionic liquids to the range of 10{\textendash}37\%. This is very close to that exhibited by some of the protic ionic liquids and phosphonium based ionic liquids with sweetner anions. The concentration dependent molar conductance of these ionic liquids has been fitted to Mahiuddin and Ismail{\textquoteright}s equation. To our surprise, the molar conductances of bisulfate-based aprotic ionic liquids are remarkably high, even though these ionic liquids possess lower ionicity.}, doi = {10.1007/s10953-017-0640-9}, author = {Jain, Preeti and Kumar, Anil} } @article {43812, title = {Comparative analysis of extractive and pressure swing distillation for separation of THF-water separation}, journal = {Computers \& Chemical Engineering}, volume = {103}, year = {2017}, month = {AUG}, pages = {188-200}, type = {Article}, abstract = {In the present work, extractive and pressure-swing distillation methods are analyzed in detail through steady state ASPEN Plus simulations to propose the most economic method for separation of equimolar mixture of THF-Water. Various solvents were evaluated and DMSO was identified as the most appropriate solvent, as it gave minimum Total Annual Cost (TAC) for desired purity. In case of pressure swing distillation, various pressure ranges were explored to achieve minimum TAC. Configurations for extractive and pressure swing distillation with heat integration were also worked out. The optimum designs of extractive and pressure swing distillation with and without heat integration were compared on a common basis of feed conditions and purity constraints. Results indicate that TAC of extractive distillation with heat integration is 5.2\% less than that of PSD with partial heat integration. (C) 2017 Elsevier Ltd. All rights reserved.}, doi = {10.1016/j.compchemeng.2017.03.019}, author = {Ghuge, Pravin D. and Mali, Nilesh A. and Joshi, Sunil S.} } @article {45667, title = {Compositional dependence of electrical conduction in solution grown Zn1-xCrxSe thin films: a correlation}, journal = {Journal of Materials Science: Materials in Electronics}, volume = {28 }, year = {2017}, month = {MAR}, pages = {5070-5074}, type = {Article}, abstract = {Zinc selenide (ZnSe) has a typical band gap of 2.7 eV suitable for window application and can easily be synthesized using a liquid phase chemical bath deposition. An attempt is made to tune its band gap and other characteristics to cope with a maxima of the solar spectrum by deliberate addition of Cr3+. ZnSe and Zn1-xCrxSe (0 <= x <= 0.35) thin films were obtained under the controlled deposition conditions (temperature = 70 A degrees C, time = 210 min, pH = 10, etc). The compositional analysis showed Zn2+ replacement by Cr3+. The X-ray photoelectron spectroscopy revealed chemical states of the constituents Zn, Cr and Se as 2(+), 3(+) and 2(-) respectively. The electrical conductivity and thermo-power measurements in the 300-550 K temperature range showed semiconducting nature of the material and that the electrical conduction is of the n-type. The electrical conductivity is found to be increased continuously up to x = 0.05 and then decreased for further increase in x. The Hall-probe measurements also confirmed n-type conduction. The average Hall coefficient for pure ZnSe is -1.03 x 10(7) cm(3)/C whereas, it is -4.55 x 10(6) cm(3)/C for a sample with x = 0.35.}, doi = {10.1007/s10854-016-6144-3}, author = {Deshmukh, S. L. and Pingale, P. C. and Chavan, G. T. and Pawar, S. T. and Prakshale, V. M. and Kamble, S. S. and Jadkar, S. R. and Chaure, N. B. and Gopinath, C. S. and Maldar, N. N. and Deshmukh, L. P.} } @article {43931, title = {Computational strategies to explore antimalarial thiazine alkaloid lead compounds based on an australian marine sponge plakortis lita}, journal = {Journal of biomolecular Structure \& Dynamics}, volume = {35}, year = {2017}, month = {AUG}, pages = {2407-2429}, type = {Article}, abstract = {In this work, an attempt was made to propose new leads based on the natural scaffold Thiaplakortone-A active against malaria. The 2D QSAR studies suggested that three descriptors correlate with the anti-malarial activity with an R2 value of 0.814. Robustness, reliability and predictive power of the model were tested by internal validation, external validation, Y-scrambling and Applicability domain analysis. HQSAR studies were carried out as an additional tool to find the sub-structural fingerprints. The CoMFA and CoMSIA models gave Q2 values of 0.813 and 0.647, and R2ncv values of 0.994 and 0.984, respectively. Using the 2D-QSAR equation, the activity values of the seven modified compounds were calculated and it was found that three molecules showed good anti-malarial activity. Molecular docking of the 42 Thiaplakortone-A derivatives with P. falciparum calcium-dependent protein kinase 1 (PfCDPK1) was carried out to find out protein-ligand interactions. Data mining of the bioassay dataset AID: 504850 using the classifier based on Random Forest (RF) of Weka suggested that all of the eight molecules selected and three out of the seven virtual molecules were anti-malarial active. Both the virtual molecules and drug molecules were docked with CYP3A4, indicating that the virtual molecules could metabolize easily. Toxicity studies using Osiris shows that three molecules showed no toxic characters.}, doi = {10.1080/07391102.2016.1220870}, author = {Lilly, Aswathy and Jisha, R. S. and Masand, Vijay H. and Gajbhiye, Jayant M. and Shibi, Indira G.} } @article {43566, title = {Continuous flow telescopic oxidation of alcohols via generation of chlorine and hypochlorite}, journal = {Reaction Chemistry \& Engineering}, year = {2017}, month = {MAR}, abstract = {A 3-step continuous flow oxidation of alcohols is demonstrated with continuous generation of chlorine as the first step followed by its use for the flow synthesis of high strength sodium hypochlorite. The solution is subsequently used for oxidation of alcohols in the presence of a catalytic amount of the nitroxyl radical {\textquotedblleft}TEMPO{\textquotedblright}, which inhibits oxidation at the aldehyde stage. Selective oxidations of eight different alcohols were demonstrated. To achieve identical yields, the aromatic alcohols containing electron withdrawing groups needed a longer residence time than aliphatic alcohols.}, doi = {10.1039/C6RE00225K}, author = {Sharma, Y. and Moolya, S. and Joshi, Ramesh A. and Kulkarni, Amol A.} } @article {43981, title = {Data on the effect of oral feeding of Arachidonic acid or Docosahexanoic acid on haematopoiesis in mice}, journal = {Data in Brief}, volume = {14}, year = {2017}, month = {OCT}, pages = {551-557}, type = {Journal Article}, abstract = {

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

}, doi = {10.1016/j.dib.2017.08.009}, author = {Limbkar, K.}, editor = {Dhenge, A.,} } @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 {43791, title = {On demand electrochemical release of drugs from porous reduced graphene oxide modified flexible electrodes}, journal = {Journal of Materials Chemistry B}, volume = {5}, year = {2017}, month = {AUG}, pages = {6557-6565}, type = {Article}, abstract = {Despite the advantages of an electrochemical control for drug release, only a handful of electrochemical-based release systems have been developed so far. We report herein on the development of an electrochemically activatable platform for on-demand delivery of drugs. It is based on flexible gold thin film electrodes coated with porous reduced graphene oxide (prGO) nanosheets onto which the drug of interest has been integrated beforehand. Two different drugs are investigated here: ondansetron hydrochloride (ODS), a selective 5-HT3 receptor antagonist used for preventing nausea and vomiting caused by chemotherapy and radiotherapy, and ampicillin (AMP), an antibiotic to prevent and treat a number of bacterial infections such as respiratory tract infections, urinary tract infections, and meningitis. In the case of ODS, application of a negative potential bias of -0.8 V results in a sustained slow ODS release with an ODS flux of 47 mu g cm(-2) h(-1). In the case of AMP, we show that polyethyleneimine modified prGO (prGO/PEI) is an extremely efficient matrix. Upon the application of +0.8 V, 24\% of AMP could be released from the electrical interface in a time span of 2 h. The released AMP kept its antibacterial activity as demonstrated by antimicrobial tests. These examples illustrate the major benefits of the developed approach for biomedical applications.}, doi = {10.1039/c7tb00687j}, author = {Boulahneche, Samia and Jijie, Roxana and Barras, Alexandre and Chekin, Fereshteh and Singh, Santosh K. and Bouckaert, Julie and Medjram, Mohamed Salah and Kurungot, Sreekumar and Boukherroub, Rabah and Szunerits, Sabine} } @article {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 {44134, title = { Differential accumulation of vimentin fragments in preeclamptic placenta}, journal = {Cytoskeleton}, volume = {74}, year = {2017}, month = {NOV}, pages = {420-425}, type = {Article}, abstract = {Preeclampsia is a pregnancy complication that is the result of abnormal placentation because of inadequate trophoblast invasion into spiral arteries that prevent normal blood flow to the placenta. We report the alteration in vimentin protein proteolysis in placenta of normotensive and preeclamptic women, which is known to have a role in many physiological functions other than its major function in the structural integrity of the cell. Placental proteome from normotensive (n=25) and preeclamptic pregnancies (n=25) showed eight differentially accumulated protein spots of vimentin (proteolytic fragments) by two-dimensional electrophoresis. Immunoblots of normotensive and preeclamptic placenta revealed a difference in proteolytic processing of vimentin. In particular, lower molecular weight vimentin fragments of 32 and 20 kDa were 3.3 and 2.6-fold (p<0.0001) higher, respectively, in preeclampsia compared with normotensive placenta.}, doi = {10.1002/cm.21390}, author = {Mary, Sheon and Kulkarni, Mahesh J. and Mehendale, Savita S. and Joshi, Sadhana R. and Giri, Ashok P.} } @article {44167, title = {Diverse reactivity trends of Ni surfaces in Au@Ni core-shell nanoparticles probed by near ambient pressure (NAP) XPS}, journal = {Catalysis Science \& Technology}, volume = {7}, year = {2017}, month = {OCT }, pages = {4489-4498}, type = {Article}, abstract = {A mild temperature sequential reduction method in aqueous medium is reported for the synthesis of Au@Ni nanoparticles with a core-shell morphology. The nickel shell thickness with a gold core in the nanostructure can be tuned from 2 nm up to about 10 nm. Near ambient pressure XPS (NAPXPS) studies under oxygen atmosphere show that Au-80@Ni-20 with an extremely thin nickel shell (similar to 2 nm) follows a distinctly different decomposition pathway of metastable Ni(OOH) species compared to those with larger shell thickness which behave more like individual nickel surfaces. Thus, Ni(OOH) on Au-80@Ni-20 decomposes to metallic Ni at 100 degrees C and is found to resist oxidation at 0.1 mbar oxygen at this temperature. Those with a larger nickel shell thickness behave more like monometallic Ni in terms of their decomposition and oxidation properties. The Au@Ni system with an ultra thin metallic nickel overlayer (2 nm) shows high catalytic activity and selectivity for phenylacetylene hydrogenation under mild conditions which outweighs their monometallic counterparts and those with higher nickel shell thickness.}, issn = {2044-4753}, doi = {10.1039/c7cy01070b}, author = {Bharathan, Vysakh A. and Jain, Ruchi and Gopinath, Chinnakonda S. and Vinod, C. P.} } @article {44024, title = {Docetaxel-titanate nanotubes enhance radiosensitivity in an androgen-independent prostate cancer model}, journal = {International Journal of Nanomedicine}, volume = {12}, year = {2017}, month = {AUG}, pages = { 6357-6364}, type = {Journal Article}, abstract = {Around 40\% of high-risk prostate cancer patients who undergo radiotherapy (RT) will experience biochemical failure. Chemotherapy, such as docetaxel (DTX), can enhance the efficacy of RT. Multidrug resistance mechanisms often limit drug efficacy by decreasing intracellular concentrations of drugs in tumor cells. It is, therefore, of interest to develop nanocarriers of DTX to maintain the drug inside cancer cells and thus improve treatment efficacy. The purpose of this study was to investigate the use of titanate nanotubes (TiONts) to develop a TiONts-DTX nanocarrier and to evaluate its radiosensitizing in vivo efficacy in a prostate cancer model. In vitro cytotoxic activity of TiONts-DTX was evaluated using an MTS assay. The biodistribution of TiONts-DTX was analyzed in vivo by single-photon emission computed tomography. The benefit of TiONts-DTX associated with RT was evaluated in vivo. Eight groups with seven mice in each were used to evaluate the efficacy of the nanohybrid combined with RT: control with buffer IT injection {\textpm} RT, free DXL {\textpm} RT, TiONts {\textpm} RT and TiONts-DXL {\textpm} RT. Mouse behavior, health status and tumor volume were monitored twice a week until the tumor volume reached a maximum of 2,000 mm3. More than 70\% of nanohybrids were localized inside the tumor 96 h after administration. Tumor growth was significantly slowed by TiONts-DTX associated with RT, compared with free DTX in the same conditions (P=0.013). These results suggest that TiONts-DTX improved RT efficacy and might enhance local control in high-risk localized prostate cancer.}, keywords = {Docetaxel Nanocarrier, nanoparticle, Prostate Cancer, Radiosensitivity, Titanate nanotubes}, doi = {10.2147/IJN.S139167}, author = {Mirjolet, C. and Martin, E. and Boudon, J. and Loiseau, A. and Chevrier, S. and Boidot, R. and Oudot, A. and Collin, B. and Joy, P. A. and Millot, N. and Cr{\'e}hange, G.} } @article {44095, title = {Dry molten globule-like intermediate during the base-induced unfolding of a multidomain protein}, journal = {Physical Chemistry Chemical Physics}, volume = {19}, year = {2017}, month = {NOV}, pages = {30207-30216}, type = {Article}, abstract = {The nature of the initial structural events during the base-induced unfolding of the native (N) state of proteins is poorly understood. Combining site-specific fluorescence resonance energy transfer, size exclusion chromatography, dynamic fluorescence quenching, red-edge excitation shift and circular dichroism spectroscopy, we show here that an early intermediate during the base-induced unfolding of a multidomain protein, i.e., the B form, has features of a dry molten globule. We show that the N (sic) B transition involves protein expansion and loosening of packing of inter-domain helices near domains I and II without the disruption of intra-domain packing or any change in hydration of the inter-domain region which resembles a molten hydrocarbon. Surprisingly, the disruption of inter-domain packing accounts for 40-45\% of the total change in free energy of complete unfolding. Our results show that the disruption of van der Waals packing can be decoupled in different regions of a protein and could occur prior to hydrophobic solvation during base-induced unfolding, challenging the existing notion.}, doi = {10.1039/c7cp06614g}, author = {Acharya, Nirbhik and Mishra, Prajna and Jha, Santosh Kumar} } @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 {45810, title = {Effect of phytase and FYM on soil enzyme activities, microbial population and nutrient availability of non-calcareous soil}, journal = {Journal of the Indian Society of Soil Science}, volume = {65}, year = {2017}, month = {JUN}, pages = {222-229}, type = {Article}, abstract = {A pot culture experiment was conducted to assess the effect of phytase and FYM levels on soil enzyme activities and nutrient availability of non-calcareous soil under soybean cultivation. The treatment consisted of four levels of phytase (0, 1200, 2400 and 3600 IU) and FYM (0, 2.5, 5.0 and 7.5 t ha-1). Enzyme activities and nutrient availability in soil was assessed at 50\% flowering and harvest of soybean. It was observed that application of phytase @ 3600 IU recorded significantly higher acid and alkaline phosphatase and dehydrogenase activity at both the growth stages of soybean. Results revealed that significant interaction effect with combine application of phytase @ 3600IU and FYM @ 7.5 t ha-1 recorded higher bacterial, fungal and actinomycetes population. Combined application of phytase @ 3600 IU and FYM @ 7.5 t ha-1 recorded significantly higher available nitrogen (289.3 and 213.6 kg ha-1) and potassium (295.0 and 270.6 kg ha-1) at 50\% flowering and at harvest of soybean, respectively. However, in case of phosphorus (P), at 50\% flowering significantly higher available P was recorded with phytase @ 3600 IU + 7.5 t ha-1 (23.9 kg ha-1). Reduction trend obtained for calcium carbonate content from 4.24 to 3.68\% at 50\% flowering and from 4.20 to 3.60\% at harvest stage was obtained with the application of phytase @ 3600 IU. This study suggest that application of phytase in combination with manure substantially improves soil biological activities as well as better nutrient supply to crop.}, issn = {0019638X}, doi = {10.5958/0974-0228.2017.00025.1}, author = {Jadhav, A.B. and Suradkar, R. and Taggu, B. and Tamboli, B.D. and Priyanka, B.} } @article {44133, title = { Effect of size and site preference of trivalent non-magnetic metal ions (Al3+, Ga3+, In3+) substituted for Fe3+ on the magnetostrictive properties of sintered CoFe2O4}, journal = {Journal of Physics D-Applied Physics}, volume = {50}, year = {2017}, month = {NOV}, pages = {Article Number: 435005}, type = {Article}, abstract = {The influence of size and crystallographic site preference of three non-magnetic isovalent metal ions of larger (In3+), comparable (Ga3+) and smaller (Al3+) sizes, substituted for Fe3+ in the spinel lattice of CoFe2O4 on its magnetostrictive properties is compared. For the different compositions in CoFe2-xMxO4 (M = In3+, Ga3+, Al3+ and 0 <= x <= 0.3), significant changes in the structural and magnetic parameters are observed with the degree of substitution, due to the size and site preferences. Magnetic and Raman spectral studies revealed that Al3+ is substituted for Fe3+ at both octahedral and tetrahedral sites for all compositions, whereas In3+ and Ga3+ are substituted for Fe3+ at the tetrahedral site only for x <= 0.2 and partly at the octahedral site for x > 0.2. Regardless of the differences in the ionic size, site preference and the magnetic properties, compositions in all three series with x = 0.1 showed almost equal magnitude of maximum magnetostriction (lambda(max) = similar to 230 ppm), marginally higher than that of x = 0 (217 ppm). However, at higher substituted compositions, lambda(max) is decreased with x, but the decrease is much faster for the Al-substituted compositions. The maximum strain sensitivity, [d lambda/dH](max), is also found to be comparable for all three compositions. The comparable magnetostriction characteristics and high strain at low magnetic fields for different substituted compositions at low levels of substitution are attributed to the local structural distortions associated with the inhomogeneous distribution of the substituted ions in the spinel ferrite lattice. The studies suggest ways to optimise the magnetostriction properties of properly substituted sintered cobalt ferrite for applications in sensors and actuators.}, doi = {10.1088/1361-6463/aa8af6}, author = {Anantharamaiah, P. N. and Joy, P. A.} } @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 {43351, title = {Enantioselective synthesis of spiro γ-butyrolactones by N-heterocyclic carbene (NHC)-catalyzed formal [3+2] annulation of enals with 3-hydroxy oxindoles}, journal = {Organic \& Biomolecular Chemistry }, volume = {16}, year = {2017}, month = {FEB}, pages = {2013 - 2019}, abstract = {The N-heterocyclic carbene (NHC)-catalyzed enantioselective formal [3 + 2] annulation of α,β-unsaturated aldehydes with 3-hydroxy oxindoles is presented. Under oxidative conditions using the bisquinone oxidant, the reaction resulted in the synthesis of spiro γ-butyrolactones in moderate to good yields, enantioselectivity and diastereoselectivity. The reaction likely proceeds via the generation of the NHC-bound α,β-unsaturated acylazolium intermediate from enals, which was intercepted by the dioxindoles in a formal [3 + 2] pathway to form the spirocyclic compounds. However, a deeper mechanistic investigation revealed that the reaction can also proceed via the homoenolate intermediate. In this case, the dioxindole was oxidized to the corresponding isatin derivative using traces of air under basic conditions, and was intercepted with the NHC-bound homoenolate intermediate in a formal [3 + 2] pathway to afford the spiro compound.}, doi = {10.1039/C7OB00148G}, author = {Mukherjee, Subrata and Joseph, Sumi and Bhunia, Anup and Gonnade, Rajesh Ghanshyam and Reddy, Santhi Vardhan and Biju, Akkattu T.} } @article {45713, title = {Engineering molecular topology: A pseudopeptidic macrocyclic figure-eight motif}, journal = {European Journal of Organic Chemistry}, year = {2017}, month = {FEB }, pages = {1120-1124}, type = {Article}, abstract = {

We herein present a rational-design strategy for the synthesis of molecules with figure-eight topology. The design concept is based on the incorporation of turn units in the back-bone of the macrocycle. The molecular structures and the folding are studied by X-ray crystallography and NMR, FT-IR, and CD spectroscopy.

}, keywords = {Macrocycles, noncovalent interactions, Pi interactions, topology, X-ray diffraction}, issn = {1434-193X}, doi = {10.1002/ejoc.201601365}, author = {Sharma, Sakshi and Thorat, Shridhar H. and Gonnade, Rajesh G. and Jasinski, Jerry P. and Butcher, Ray and Haridas, V.} } @article {43568, title = {Expeditious and solvent-free nickel-catalyzed C-H arylation of arenes and indoles}, journal = {ChemSusChem}, volume = {10}, year = {2017}, month = {APR}, pages = {2242-2248}, type = {Article}, abstract = {An efficient solvent-free nickel-catalyzed method for C-H bond arylation of arenes and indoles has been developed, which proceeds expeditiously through chelation assistance. The reaction is highly selective for mono-arylation and tolerates sensitive and structurally diverse functionalities, such as halides, ethers, amines, indole, pyrrole and carbazole. This reaction represents the first example of a nickel-catalyzed C-H arylation by monochelate assistance and symbolizes a rare precedent in solvent-free C-H arylation. Mechanistic investigations by various controlled reactions, kinetic studies, and deuterium labeling experiments suggest that the arylation follows a single electron transfer (SET) pathway involving the turnover-limiting C-H nickelation process.}, doi = {10.1002/cssc.201700321}, author = {Jagtap, Rahul A. and Soni, Vineeta and Punji, Benudhar} } @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 {43543, title = {Glycation inhibitors extend yeast chronological lifespan by reducing advanced glycation end products and by back regulation of proteins involved in mitochondrial respiration}, journal = {Journal of Proteomics}, volume = {156}, year = {2017}, month = {MAR}, pages = {104-112}, abstract = {Advanced Glycation End products (AGEs) are implicated in aging process. Thus, reducing AGEs by using glycation inhibitors may help in attenuating the aging process. In this study using Saccharomyces cerevisiae yeast system, we show that Aminoguanidine (AMG), a well-known glycation inhibitor, decreases the AGE modification of proteins in non-calorie restriction (NR) (2\% glucose) and extends chronological lifespan (CLS) similar to that of calorie restriction (CR) condition (0.5\% glucose). Proteomic analysis revealed that AMG back regulates the expression of differentially expressed proteins especially those involved in mitochondrial respiration in NR condition, suggesting that it switches metabolism from fermentation to respiration, mimicking CR. AMG induced back regulation of differentially expressed proteins could be possibly due to its chemical effect or indirectly by glycation inhibition. To delineate this, Metformin (MET), a structural analog of AMG and a mild glycation inhibitor and Hydralazine (HYD), another potent glycation inhibitor but not structural analog of AMG were used. HYD was more effective than MET in mimicking AMG suggesting that glycation inhibition was responsible for restoration of differentially expressed proteins. Thus glycation inhibitors particularly AMG, HYD and MET extend yeast CLS by reducing AGEs, modulating the expression of proteins involved in mitochondrial respiration and possibly by scavenging glucose. Significance: This study reports the role of glycation in aging process. In the non-caloric restriction condition, carbohydrates such as glucose promote protein glycation and reduce CLS. While, the inhibitors of glycation such as AMC, HYD, MET mimic the caloric restriction condition by back regulating deregulated proteins involved in mitochondria( respiration which could facilitate shift of metabolism from fermentation to respiration and extend yeast CLS. These findings suggest that glycation inhibitors can be potential molecules that can be used in management of aging. (C) 2017 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.jprot.2017.01.015}, author = {Kazi, Rubina S. and Banarjee, Reema M. and Deshmukh, Arati B. and Patil, Gouri V. and Jagadeeshaprasad, Mashanipalya G. and Kulkarni, Mahesh J.} } @article {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 {45747, title = {High magnetostriction parameters of sintered and magnetic field annealed Ga-substituted CoFe2O4}, journal = {Materials Letters}, volume = {192}, year = {2017}, month = {APR }, pages = {169-172}, type = {Article}, abstract = {

Impact of substitution of the non-magnetic ion Ga3+ for Fe3+ on the magnetostriction parameters of CoFe2O4 has been investigated for samples prepared by a tartrate-gel method. All the Ga-substituted compositions in CoGaxFe2-xO4 (0 \<= x \<= 0.3) showed higher strain sensitivity (d lambda/dH), at low magnetic fields, compared to that of the unsubstituted sample. The magnetostriction strain (lambda) and d lambda/dH of the composition CoGa0.1Fe1.9O4 could be enhanced from -228 to -296 ppm and -2.20 x 10(-9) to -3.55 x 10(-9) miA, respectively, at low magnetic fields, after magnetic field annealing at 300 degrees C. (C) 2016 Elsevier B.V. All rights reserved.

}, keywords = {Cobalt ferrite, Magnetic field annealing, Magnetic materials, Magnetostriction, Substitution}, issn = {0167-577X}, doi = {10.1016/j.matlet.2016.12.031}, author = {Anantharamaiah, P. N. and Joy, P. A.} } @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 {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} } @article {43855, title = {Improved tolerance against helicoverpa armigera in transgenic tomato over-expressing multi-domain proteinase inhibitor gene from capsicum annuum}, journal = {Physiology and Molecular Biology of Plants}, volume = {23}, year = {2017}, month = {JUL}, pages = {597-604}, type = {Article}, abstract = {Plant proteinase inhibitors (PIs) are plant defense proteins and considered as potential candidates for engineering plant resistances against herbivores. Capsicum annuum proteinase inhibitor (CanPI7) is a multi-domain potato type II inhibitor (Pin-II) containing four inhibitory repeat domains (IRD), which target major classes of digestive enzymes in the gut of Helicoverpa armigera larvae. Stable integration and expression of the transgene in T1 transgenic generation, were confirmed by established molecular techniques. Protein extract of transgenic tomato lines showed increased inhibitory activity against H. armigera gut proteinases, supporting those domains of CanPI7 protein to be effective and active. When T1 generation plants were analyzed, they exhibited antibiosis effect against first instar larvae of H. armigera. Further, larvae fed on transgenic tomato leaves showed delayed growth relative to larvae fed on control plants, but did not change mortality rates significantly. Thus, better crop protection can be achieved in transgenic tomato by overexpression of multi-domain proteinase inhibitor CanPI7 gene against H. armigera larvae.}, doi = {10.1007/s12298-017-0456-5}, author = {Tanpure, Rahul S. and Barbole, Ranjit S. and Dawkar, Vishal V. and Waichal, Yashashree A. and Joshi, Rakesh S. and Giri, Ashok P. and Gupta, Vidya S.} } @article {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 {43461, title = {Iron complex catalyzed selective C-H bond oxidation with broad substrate scope}, journal = {Organic Letters}, volume = {19}, year = {2017}, month = {FEB}, pages = {746-749}, abstract = {

The use of a peroxidase-mimicking Fe complex has been reported on the basis of the biuret-modified TAML macrocyclic ligand {\textquoteright}framework (Fe-bTAML) as a catalyst to perform selective oxidation of unactivated 3 degrees C-H bonds and activated 2 degrees C-H bonds with low catalyst loading (1 mol \%) and high product yield (excellent mass balance) under near neutral conditions and broad substrate scope (18 substrates which includes arenes, heteroaromatics, and polar functional groups). Aliphatic C-H oxidation of 3 and 2 sites of complex substrates was achieved with predictable selectivity using steric, electronic, and stereoelectronic rules that govern site selectivity, which included oxidation of (+)-artemisinin to (+)-10 beta-hydroxyartemisinin. Mechanistic studies indicate Fe-V(O) to be the active oxidant during these reactions.

}, doi = {10.1021/acs.orglett.6b03359}, author = {Jana, Sandipan and Ghosh, Munmun and Ambule, Mayur and Sen Gupta, Sayam} } @article {44402, title = {Iron-based nanocatalyst for the acceptorless dehydrogenation reactions}, journal = {Nature Communications}, volume = {8}, year = {2017}, month = {DEC}, pages = {Article Number: 2147}, abstract = {Development of sustainable catalytic systems for fundamentally important synthetic transformations and energy storage applications is an intellectually stimulating challenge. Catalytic dehydrogenation of feedstock chemicals, such as alcohols and amines to value-added products with the concomitant generation of dihydrogen is of much interest in the context of hydrogen economy and is an effective alternative to the classical oxidation reactions. Despite a number of homogeneous catalysts being identified for the acceptorless dehydrogenation, the use of high price and limited availability of precious metals and poor recovery of the catalyst have spurred interest in catalysis with more earth-abundant alternatives, especially iron. However, no report has described a reusable iron-based heterogeneous catalyst for oxidant-free and acceptorless dehydrogenation reactions. Here we replace expensive noble metal catalysts with an inexpensive, benign, and sustainable nanoscale iron catalyst for the efficient acceptorless dehydrogenation of N-heterocycles and alcohols with liberation of hydrogen gas.}, doi = {10.1038/s41467-017-01603-3}, author = {Jaiswal, Garima and Landge, Vinod G. and Jagadeesan, Dinesh and Balaraman, Ekambaram} } @article {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 {43811, title = {Iron-catalyzed dehydrogenation reactions and their applications in sustainable energy and catalysis}, journal = {Catalysis Science \& Technology}, volume = {7}, year = {2017}, month = {AUG}, pages = {3177-3195}, type = {Article}, abstract = {Inspired by nature, chemists have designed new catalysts in the pursuit of selective bond activation and chemical transformations. Emergent biological systems often use earth-abundant first-row transition elements as catalytically active sites to facilitate specific and highly selective chemical processes. The design of a new catalytic system based on abundant and inexpensive catalysts, particularly the iron-based catalysts, for fundamentally significant synthetic transformations under environmentally benign conditions is an important paradigm in chemical synthesis. In recent times, iron-based catalytic systems have shown unprecedented reactivity in the acceptorless dehydrogenation reactions of feedstock chemicals, with the liberation of molecular hydrogen as the by-product, and have enabled greener chemical synthetic methods and alternative energy storage systems. Indeed, it has been demonstrated that the proper design of iron catalysts by judiciously choosing ligands, can aid in the development of new sustainable energy storage systems and catalysis. This tutorial review focuses on the recent development of iron-based dehydrogenation reactions of fundamentally important feedstock, as a route to sustainable chemical synthesis and energy storage applications. The emerging area of the iron-based dehydrogenation strategy provides an opportunity to make industrially applicable, cost-effective and environmentally benign catalytic systems.}, doi = {10.1039/c7cy00879a}, author = {Balaraman, Ekambaram and Nandakumar, Avanashiappan and Jaiswal, Garima and Sahoo, Manoj K.} } @article {44036, title = {Isobaric vapor-liquid equilibrium data for the binary systems of dimethyl carbonate with xylene isomers at 93.13 kPa}, journal = {Journal of Chemical and Engineering Data}, volume = {62}, year = {2017}, month = {AUG}, pages = {2436-2442}, type = {Journal Article}, abstract = {Isobaric binary vapor-liquid equilibrium (VLE) data for dimethyl carbonate with xylene isomers (p-xylene, m-xylene, o-xylene, and ethylbenzene) were measured at the local atmospheric pressure of 93.13 kPa by using a dynamic recirculation still. The experimental VLE data were tested and found to be thermodynamically consistent by Herington and Van Ness consistency test. The experimental VLE data were correlated using the Wilson, NRTL, and UNIQUAC activity coefficient models and binary interactions parameters were estimated using a suitable objective function. The absolute mean deviation between the experimental and the model predicted values of vapor phase composition and total pressure was well within acceptable limits. No azeotrope was observed in any of the binary pairs and appeared to be easy for separation using conventional distillation method. }, keywords = {Atmospheric Pressure, binary mixture, Distillation, Xylene}, doi = {10.1021/acs.jced.7b00372}, author = {Yadav, S.S.}, editor = {Mali, N. A.} } @article {44009, title = {Large anion incorporation to improve the performance of large, paper based conducting polymer supercapacitors}, journal = {Materials Today Energy}, volume = {5}, year = {2017}, month = {SEP}, pages = {112-117}, type = {Journal Article}, abstract = {

Poly(3,4-ethylenedioxythiophene) (PEDOT) is a stable conducting polymer, hence its dispersion is widely used in commercial devices. However, PEDOT{\textquoteright}s charge storage properties are not impressive. Thus, improvement in charge storage properties of PEDOT will render the possibility of fabricating stable energy storage devices such as supercapacitors. A fundamentally different approach is required to achieve this objective. We envisioned that the charge storage property of PEDOT can be improved by trapping large anions. These ions would facilitate better ion transport into the PEDOT matrix from the electrolyte and increase the efficiency of supercapacitors. Furthermore, a large anion such as triiodide is relatively immobile in the polymer matrix, hence we hypothesize the ions to be trapped in the polymer. To test this hypothesis, triiodide trapped PEDOT based supercapacitors are fabricated on paper substrates. A 1 cm2 triiodide incorporated PEDOT based supercapacitor exhibited a specific capacitance of 486 F/g. On the other hand, PEDOT without triiodide incorporation exhibited a specific capacitance of 221 F/g. Indeed, a device with an area of 32 cm2 exhibited a specific capacitance of 476 F/g.

}, keywords = {Flexible Supercapacitors, Paper based Supercapacitors, polyphenols}, doi = {10.1016/j.mtener.2017.06.004}, author = {Jain, B. and Krishnamoorthy, K.} } @article {43772, title = {Magnetic reduced graphene oxide loaded hydrogels: highly versatile and efficient adsorbents for dyes and selective Cr(VI) ions removal}, journal = {Journal of Colloid and Interface Science}, volume = {507}, year = {2017}, month = {DEC}, pages = {360-369}, type = {Article}, abstract = {The formation of composites of reduced graphene oxide (rGO) and magnetic nanoparticles (MP) has flourished in recent years as they combine the advantages of both nanomaterials. Most of these composite materials are prepared by in situ formation of MP onto rGO or by the post-adsorption onto rGO. We report here on a simple and highly controlled method for the fabrication of different magnetic 3D rGO-loaded hydrogels. Cellulose bound magnetic nanoparticles (MP@cellulose) were synthesized by chemical co-precipitation and loaded together with rGO into poly(ethylene glycol) dimethacrylate based hydrogels during their fabrication using photo-polymerization. The magnetic rGO-loaded hydrogels proved to be highly adaptable to different applications. The as-formed composites allowed for efficient dye removal with an adsorption capacity of 111.9 +/- 4 mg g(-1) in the case of methylene blue (MB). Integration of poly(ethyleneimine) (PEI) allowed for the selective capturing of Cr6+ ions with an adsorption capacity of 313 12 mg g-1. Most importantly, independent of the application, the magnetic rGO-loaded hydrogel can be regenerated without loss of its adsorption capacity. (C) 2017 Elsevier Inc. All rights reserved.}, doi = {10.1016/j.jcis.2017.07.075}, author = {Halouane, Fatima and Oz, Yavuz and Meziane, Dalila and Barras, Alexandre and Juraszek, Jean and Singh, Santosh K. and Kurungot, Sreekumar and Shaw, Pankaj K. and Sanyal, Rana and Boukherroub, Rabah and Sanyal, Amitav and Szunerits, Sabine} } @article {43780, title = {Magnetoelastic properties of terbium substituted cobalt ferrite}, journal = {Chemical Physics Letters}, volume = {685}, year = {2017}, month = {OCT}, pages = {465-469}, type = {Article}, abstract = {The magnetic properties of terbium substituted cobalt ferrites CoFe(2-x)TbxO(4) (x = 0, 0.05, 0.1, 0.15 and 0.2) prepared by conventional solid state method are studied. The coercivity showed marked increase up to x = 0.1 and saturation magnetization decreased with increasing terbium content. Magnetostriction measurements did not show much decrease in the maximum value of strain but significant increase in the slope of magnetostriction was observed for x = 0.15 with moderate magnetostriction of around 144 ppm. The observed magnetic and magnetostrictive properties can be explained on the basis of structural and microstructural changes arising because of terbium substitution. (C) 2017 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.cplett.2017.08.006}, author = {Bhame, Shekhar D. and Joy, Pattayil Alias} } @article {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 {43358, title = {Mechanistic aspects of wet and dry CO oxidation on Co3O4 nanorod surfaces: a NAP-UPS study}, journal = {ACS Omega}, volume = {2}, year = {2017}, month = {MAR}, pages = {828-834}, type = {Jouranl Article}, abstract = {

Catalytic activity, electronic structure, and the mechanistic aspects of Co3O4 nanorod (NR) surfaces have been explored for CO oxidation in dry and wet atmosphere using near-ambient pressure ultraviolet photoelectron spectroscopy. Presence of water with CO + O2 plummets the catalytic activity because of the change in the electronic nature from predominantly oxide (without water in feed) to a Co3O4 surface covered by a few intermediates. However, at >=375 K, the Co3O4 surface recovers and regains the oxidation activity, at least partially, even in the presence of water. This is fully supported by the changes observed in the work function of Co3O4 under wet (H2O + CO + O2) conditions compared with dry (CO + O2) conditions. This study focuses on the comparative CO oxidation rate on Co3O4 NR surfaces and highlights the changes in the electronic structure that occur in the catalyst during the CO oxidation reaction.

}, keywords = {Catalyst, Nano Structures, Power X-Ray Diffraction, spectra, Water Vapor}, doi = {10.1021/acsomega.6b00471}, author = {Ruchi Jain and Gnanakumar, Edwin S. and Gopinath, Chinnakonda S.} } @article {43689, title = {Mechanistic study of nucleophilic fluorination promoted by tri-tert-butanolamine}, journal = {Journal of Fluorine Chemistry}, volume = {197}, year = {2017}, month = {MAY}, pages = {80-86}, type = {Article}, abstract = {Quantum chemical study is carried out to elucidate the mechanism of S(N)2 fluorination using. CsF promoted by tri-tert-butanolamines. Focus is on the role of the hydroxyl (OH) and the amine functional groups for accelerating the reaction. Our systematic analysis indicates that the OH groups form strong interactions with the nucleophile F-. Thus, it seems that hydrogen bonding with the nucleophile may accelerate the S(N)2 processes rather than retard them, as conventional wisdom suggests. The origin of the experimentally observed improvement of the promotor efficiency in t-butanol solvent over that in CH3CN is examined. We show that the coordination of the solvent t-butanol molecule as Lewis base on the counter-cation Cs+ lowers the Gibbs free energy of activation. (C) 2017 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.jfluchem.2017.03.013}, author = {Lee, Sung-Sik and Jung, Hyun-Kyung and Shinde, Sandip S. and Lee, Sungyul} } @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 {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 {43989, title = {Microreactor-based continuous process for controlled synthesis of poly-methyl-methacrylate-methacrylic acid (PMMA) nanoparticles}, journal = {Journal of Materials Chemistry B}, volume = {5}, year = {2017}, month = {APR}, pages = {3404-3417}, type = {Article}, abstract = {We have developed a microreactor-based continuous process for synthesizing PMMA nanoparticles (NPs), based on the principle of nanoprecipitation. Our objective was to identify the critical parameters governing the size of nanoparticles, produced in microreactors, to enable reproducible synthesis of mono-disperse particles. Experiments were carried out in a microreactor, where parameters like flow rates of aqueous and organic phases, residence time and polymer concentrations were varied to examine their influence on particle size and homogeneity. The results from Dynamic Light Scattering confirmed that the particle size decreased with decreasing residence time, whereas when the aqueous to organic phase flow rate ratio was changed sequentially from 9 : 1, 4 : 1, 7 : 3, 3 : 2, to 1 : 1 (v/v), the particle size increased. Particles fabricated using a microreactor demonstrated a narrow and homogenous distribution, thus confirming their monodispersity. TEM, SEM and XRD were also performed for morphology analysis and phase identification of the particles. Further, paclitaxel encapsulated PMMA nanoparticles were prepared using the microreactor, demonstrating an increase in mean size of around 30 nm and a slightly higher polydispersity index compared to the blank nanoparticles. The drug encapsulation efficiency and drug release kinetics of these nanoparticles were comparable to those prepared in batch-experiments, thus establishing the suitability of the technology for preparing drug-loaded nanoparticles. Also, it was observed that at all the residence times (10 min to 10 s), about 80\% of the polymer got transformed into nanoparticulate form, thus confirming the efficiency of the microreactor. In recent times, much work has been conducted to synthesize polymeric nanoparticles using different types of microreactors, but they lack detailed investigation of the effect of various parameters on the physiochemical properties of the resulting particles. Our investigation synthesizes PMMA NPs, using microreactor technology, for the very first time, to the best of our knowledge. Furthermore, we have performed a detailed analysis of the influence of various process parameters on the size and uniformity of the resulting nanoparticles. These critical parameters can serve as a useful tool to synthesize a myriad of nanoparticles of alternative polymers, using microreactor technology.}, doi = {10.1039/C7TB02344H}, author = {Dobhal, Anurag and Kulkarni, Amol and Dandekar, Prajakta and Jain, Ratnesh} } @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 {43890, title = {Multifunctional inulin tethered silver-graphene quantum dots nanotheranostic module for pancreatic cancer therapy}, journal = {Material Science and Engineering C- Materials for Biological Application}, volume = {78}, year = {2017}, month = {SEP}, chapter = {1203-1211}, abstract = {

Cancer nanotechnology is an emerging area of cancer diagnosis and therapy. Although considerable progress has been made for targeted drug delivery systems to deliver anticancer agents to particular site of interest, new nanomaterials are frequently being developed and explored for better drug delivery efficiency. In the present work, we have explored a novel nanoformulation based on silver-graphene quantum dots (Ag-GQDs) nanocomposite for its successful implementation for pancreatic cancer specific drug delivery in wistar rats. Carboxymethyl inulin (CMI); a modified variant of natural polysaccharide inulin is tethered with the nanocomposite via carbodiimide coupling to enhance the biocompatibility of nanoformulation. Experiments are performed to investigate the cytotoxicity reduction of silver nanoparticles after inulin tethering as well as anticancer efficacy of the system using 5-Fluorouracil (5-FU) as model drug. SEM, TEM, FT-IR, UV-vis, photoluminescence and anti proliferative assays (MTT) are performed for characterisation of the nanocomposite. Hyaluronic acid (HA) is conjugated as targeting moiety for CD-44 (cancer stem cell marker) to fabricate a complete targeted drug delivery vehicle specific for pancreatic cancer. In the present work two prime objectives were achieved; mitigation the toxicity of silver nanoparticles by inulin coating and it{\textquoteright}s in vivo application for pancreatic cancer. (C) 2017 Elsevier B.V. All rights reserved.

}, keywords = {acid, Dextran, Drug-delivery, graphene quantum dots, Inulin, Nanocomposite, Nanocomposites, Nanoparticles, Pancreatic Cancer, Silver nanoparticle, Strategies, Systems, Targeted Drug Delivery}, issn = {0928-4931}, doi = {10.1016/j.msec.2017.03.176}, author = {Joshi, Preeti Nigam and Agawane, Sachin and Agawane, Sachin and Agawane, Sachin and Sarkar, Dhiman and Sarkar, Dhiman} } @article {43171, title = {Multiple functionalities of Ni nanoparticles embedded in carboxymethyl guar gum polymer: catalytic activity and superparamagnetism}, journal = {Applied Surface Science}, year = {2017}, month = {JAN}, abstract = {Composites comprising of metallic nanoparticles in polymer matrices have allured significant importance due to multifunctionalities. Here a simple protocol has been described to embed Ni nanoparticles in carboxymethyl guar gum (CMGG) polymer. The composite formation helps in the stabilization of Ni nanoparticles which are otherwise prone towards aerial oxidation. Further the nanoparticles retain their superparamagnetic nature and catalytic capacity. Ni-Polymer composite catalyses the reduction of 4-Nitrophenol to 4-Aminophenol very efficiently in presence of NaBH4, attaining a complete conversion under some experimental conditions. Ni-Polymer composite is well characterized using UV{\textendash}vis spectroscopy, FTIR, XPS, powder XRD, TGA, SEM and TEM. A detailed magnetic measurement using superconducting quantum interference device-vibrating sample magnetometer (SQUID-VSM) reveals superparamagnetic behaviour of the composite.}, author = {Sardar, Debasmita and Sengupta, Manideepa and Bordoloi, Ankur and Ahmed, Md. A. and Neogi, S. K. and Bandyopadhyay, Sanjoy and Jain, Ruchi and Gopinath, Chinnakonda S. and Bala, Tanushree} } @article {43872, title = {Multipronged quantitative proteomics reveals serum proteome alterations in breast cancer intrinsic subtypes}, journal = {Journal of Proteomics}, volume = {163}, year = {2017}, month = {JUN}, pages = {1-13}, type = {Article}, abstract = {Being molecularly heterogeneous, breast cancer tends to be a complicated oncological disease with high incidence rates throughout the world. The primary aim of this study was to identify the set of serum proteins with discriminatory capabilities towards the four major subtypes of breast cancer. We employed multipronged quantitative proteomic approaches like 2D-DIGE, iTRAQ and SWATH-MS and identified 307 differentially regulated proteins. Luminal A subtype consisted of 24, Luminal B subtype 38, HER2 Enriched subtype 17 and Triple negative breast cancer subtype 10 differentially regulated subtype specific proteins. These specific proteins were further subjected to bioinformatic tools which revealed the involvement in platelet degranulation, fibrinolysis, lipid metabolism, immune response, complement activation, blood coagulation, glycolysis and cancer signaling pathways in the subtypes of the breast cancer. The significant discrimination efficiency of the models generated through multivariate statistical analysis was decent to distinguish each of the four subtypes from controls. Further, some of the statistically significant differentially regulated proteins were verified and validated by immunoblotting and mass spectrometry based selected reaction monitoring (SRM) approach. Our Multipronged proteomics approaches revealed panel of serum proteins specifically altered for individual subtypes of breast cancer. The mass spectrometry data are available via ProteomeXchange with identifier PXD006441. Biological significance: Worldwide, breast cancer continues to be one of the leading causes of cancer related deaths in women and it encompasses four major molecular subtypes. As breast cancer treatment majorly depends on identification of specific subtype, it is important to diagnosis the disease at subtype level. Our results using multipronged quantitative proteomics identified 307 differentially regulated proteins in which 24 were specific for Luminal A, 38 for Luminal B, 17 for HER2 enriched and 10 proteins were specific for TN subtype. Bioinformatic analysis of these proteins revealed certain biological processes and pathways altered at subtype level and validation experiments of some of these proteins using immunoblotting and SRM assays are consistent with discovery data. This is the first comprehensive proteomic study on serum proteome alterations at subtype level which will not only help to distinguish subtype of breast cancer but also contribute to a better understanding of the molecular characteristic of breast cancer at individual subtype level. (C) 2017 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.jprot.2017.05.007}, author = {Gajbhiye, Akshada and Dabhi, Raju and Taunk, Khushman and Jagadeeshaprasad, Mashanipalya G. and RoyChoudhury, Sourav and Mane, Anupama and Bayatigeri, Santhakumari and Chaudhury, Koel and Santra, Manas K. and Rapole, Srikanth} } @article {43352, title = {N - heterocyclic - carbene - catalyzed umpolung of imines}, journal = {Angewandte Chemie International Edition}, volume = {56}, year = {2017}, month = {MAR}, pages = {2730 - 2734}, type = {Article}, abstract = {

N-Heterocyclic carbene (NHC) catalysis has been widely used for the umpolung of aldehydes, and recently for the umpolung of Michael acceptors. Described herein is the umpolung of aldimines catalyzed by NHCs, and the reaction likely proceeds via aza-Breslow intermediates. The NHC-catalyzed intramolecular cyclization of aldimines bearing a Michael acceptor resulted in the formation of biologically important 2-(hetero)aryl indole 3-acetic-acid derivatives in moderate to good yields. The carbene generated from the bicyclic triazolium salt was found to be efficient for this transformation.

}, doi = {10.1002/anie.201611268}, author = {Patra, Atanu and Mukherjee, Subrata and Das, Tamal Kanti and Jain, Shailja and Gonnade, Rajesh Ghanshyam and Biju, Akkattu T.} } @article {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 {43544, title = {Nonlinear Fowler-Nordheim behavior of a single SnO2 nanowire}, journal = {Journal of Vacuum Science \& Technology B}, volume = {35}, year = {2017}, month = {MAR}, pages = {Article Number: 02C105}, abstract = {The present work deals with the field emission study on multiple SnO2 nanowires synthesized by a simple thermal evaporation method. The randomly oriented multiple nanowires grown by the vapor-liquid-solid mechanism exhibit low turn on field (0.8V/mu m defined for the current density of 1 mu A/cm(2)) and linear Fowler-Nordheim nature (FN). However, for the understanding of the nature of the FN plot, field emission behavior of a single SnO2 nanowire is investigated. The FN plot is observed to be nonlinear in nature. A simple model explaining the field emission mechanism from the semiconducting single SnO2 nanowire is proposed. (C) 2017 American Vacuum Society.}, doi = {10.1116/1.4973949}, author = {Joshi, Padmashree D. and Joag, Dilip S. and Late, Dattatray J. and Mulla, Imtiaz S.} } @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.} } @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 {43902, title = {Oral feeding with polyunsaturated fatty acids fosters hematopoiesis and thrombopoiesis in healthy and bone marrow-transplanted mice}, journal = {Journal of Nutritional Biochemistry}, volume = {47}, year = {2017}, month = {sep}, chapter = {94-105}, abstract = {

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

}, keywords = {Bone Marrow Transplantation (Bmt), Cord Blood, Down-regulation, Ex-vivo Expansion, Hematopoiesis, Hematopoietic Stem Cells (Hscs), Lipid rafts, Myocardial-infarction, Polyunsaturated Fatty Acids, Progenitor Cells, Prostaglandin-e2, Self-renewal, Spleen Colonies, Stem-cell Proliferation, Thrombopoiesis}, doi = {10.1016/j.jnutbio.2017.05.002}, author = {Limbkar, Kedar and Dhenge, Ankita and Jadhav, Dipesh D. and Thulasiram, Hirekodathakallu V. and Kale, Vaijayanti and Limaye, Lalita} } @article {44028, title = {Organocatalytic Enantioselective Vinylogous Michael-Aldol Cascade for the Synthesis of Spirocyclic Compounds}, journal = {Electrochimica Acta}, volume = {246}, year = {2017}, month = {AUG}, pages = { 1023-1028}, type = {Journal Article}, abstract = {Nanoscopic spheres of poly(3,4-ethylenedioxythiophene) from its poly(styrene sulfonate) stabilised dispersion was converted to nanofibers by acid treatment. The nanofibers showed a conductivity of 1800 S/cm. The specific capacitance of nanofiber based supercapcitors increased by 10 times compared to nanospeheres. The specific capacitance and power density were found to be 288 F/g and 9491 W/kg. }, doi = { 10.1016/j.electacta.2017.06.156}, author = {Jain, B.}, editor = {Krishnamoorthy, K.} } @article {43554, title = {Organocatalyzed efficient one-pot synthesis, biological evaluation, and molecular docking studies of 4,4-(Arylmethylene)bis-(3-methyl-1-phenyl-1H-pyrazol-5-ols)}, journal = {Journal of Heterocyclic Chemistry}, volume = {54}, year = {2017}, month = {MAR}, pages = {1109-1120}, abstract = {The synthesis of 4,4-(arylmethylene)bis-(3-methyl-1-phenyl-1H-pyrazol-5-ol) derivatives catalyzed by ?-proline is a simple, versatile, and efficient method. In vitro antioxidant, anti-inflammatory, and antimicrobial activities of compounds 4a, 4b, 4c, 4d, 4e, 4f, 4g, 4h, 4i, 4j were studied. Furthermore, to rationalize the observed anti-inflammatory activity data, molecular docking study has been performed against COX-2 enzyme which revealed a good binding affinity for these molecules and could provide an insight into the various bonded and non-bonded interactions guiding their binding affinity.}, doi = {10.1002/jhet.2681}, author = {Mahajan, Pravin S. and Nikam, Mukesh D. and Khedkar, Vijay and Jha, Prakash and Badadhe, Pravin V. and Gill, Charansingh H.} } @article {44155, title = {Organo-photoredox catalyzed oxidative dehydrogenation of N-heterocycles}, journal = {Chemistry-A European Journal}, volume = {23}, year = {2017}, month = {OCT}, pages = {14167-14172}, type = {Article}, abstract = {We report here for the first time the catalytic oxidative dehydrogenation of N-heterocycles by a visible-light organo-photoredox catalyst with low catalyst loading (0.1-1mol\%). The reaction proceeds efficiently under base- and additive-free conditions with ambient air at room temperature. The utility of this benign approach is demonstrated by the synthesis of various pharmaceutically relevant N-heteroarenes such as quinoline, quinoxaline, quinazoline, acridine, and indole.}, doi = {10.1002/chem.201703642}, author = {Sahoo, Manoj K. and Jaiswal, Garima and Rana, Jagannath and Balaraman, Ekambaram} } @article {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 {43960, title = {Palladium supported ionic liquid phase catalyst (Pd@SILP-PS) for room temperature Suzuki-Miyaura cross-coupling reaction}, journal = {Molecular Catalysis}, volume = {442}, year = {2017}, month = {DEC}, pages = {126-132}, type = {Journal Article}, abstract = {

A new Pd-SILP based on amino functionalized imidazolium ionic liquid immobilized on Merrifield resin (Pd@SILP-PS) has been synthesized. The catalyst was characterized by different techniques like FT-IR, SEM-EDS, TEM, TGA-DTA and XPS. The catalyst has shown to be highly active in Suzuki-Miyaura cross-coupling reaction of various aryl halides and aryl boronic acids in ethanol at room temperature. The activity of catalyst and the nature of product were highly dependent on the type of the solvent used, as well as the substituents present on the aryl halides. The protic polar solvent ethanol gave desired cross-coupling product in good to excellent yields at room temperature. However the aprotic polar solvent THF gave homocoupling product. The catalyst showed at least five times recyclability without a decrease in product yield.

}, keywords = {Immobilization, Ionic liquid, Palladium, SILP, Suzuki-Miyaura reaction}, doi = {10.1016/j.mcat.2017.08.023}, author = {More, S. and Jadhav, S and Salunkhe, R. and Kumbhar, A.} } @article {43922, title = {Pilot-scale pretreatments of sugarcane bagasse with steam explosion and mineral acid, organic acid, and mixed acids: synergies, enzymatic hydrolysis efficiencies, and structure-morphology correlations}, journal = {Biomass Conversion and Biorefinery}, volume = {7}, year = {2017}, month = {SEP}, pages = {179-189}, type = {Article}, abstract = {In lignocellulosic (LC) ethanol processes, to facilitate enzymatic hydrolysis of cellulose, a physical chemical pretreatment is vital. In this study, we explored a single as well as a two-step physical-chemical pretreatment involving steam and mixed acid on unwashed sugarcane bagasse at pilot-scale level in a continuous horizontal reactor. To serve as a large-scale model, pretreatments were carried out at high solid levels of 18{\textendash}20 \% w/w. For the pretreatment, partial replacement of corrosive sulfuric acid with a milder acid-like oxalic acid was explored to derive possible advantages and synergies accruing by using a mixture of mineral acid and organic acid. The results of this work showed that first-step pretreatment carried out by the mixing of sulfuric acid (1.5 \% w/w) and oxalic acid (1.5 \% w/w) at 150 {\textdegree}C followed by a second-step steam explosion pretreatment at 180 {\textdegree}C gave significant synergies and advantages over other variants of pretreatments investigated, such as lower inhibitor levels and lower reaction severity. On post-pretreated bagasse, this study conducted comparative enzymatic hydrolysis study using a simple lab enzyme and a robust commercial enzyme. It was found that the addition of Tween 80 to the lab enzyme improved its performance to match the performance of the commercial enzyme. Scanning electron microscopy (SEM) studies were further carried out to correlate the morphology of pretreated samples with efficiency of enzyme hydrolysis. Besides morphological study, Fourier transform infrared (FTIR) studies of pretreated samples showed higher syringyl/guaiacyl ratio for all pretreatments, indicating lower levels of pseudo-lignins, which is beneficial for improved enzyme hydrolysis.}, doi = {10.1007/s13399-016-0220-z}, author = {Pal, Siddhartha and Joy, Shereena and Kumbhar, Pramod S. and Trimukhe, Kalpana D. and Gupta, Rishi and Kuhad, Ramesh Chander and Varma, Anjani J. and Shankar, Sasi} } @article {43028, title = {Placental proteomics provides insights into pathophysiology of pre-eclampsia and predicts possible markers in plasma}, journal = {Journal of Proteome Research}, volume = {16}, year = {2017}, month = {FEB}, pages = {1050-1060}, abstract = {

Pre-eclampsia is a hypertensive disorder characterized by the new onset of hypertension \>140/90 mmHg and proteinuria after the 20th week of gestation. The disorder is multi-factorial and originates with abnormal placentation. Comparison of the placental proteome of normotensive (n=25) and pre-eclamptic (n=25) patients by gel-free proteomic techniques, identified a total of 2145 proteins in the placenta of which 180 were differentially expressed (\>1.3 fold, p\<0.05). Gene ontology enrichment analysis of biological process suggested that the differentially expressed proteins belonged to various physiological processes such as angiogenesis, apoptosis, oxidative stress, hypoxia, placental development, which are implicated in the pathophysiology of pre-eclampsia. Some of the differentially expressed proteins were monitored in the plasma by multiple reaction monitoring (MRM) analysis, which showed an increase in Apolipoprotein AI and AII in gestational week 26-30th (2-fold, p\<0.01) while haptoglobin and hemopexin decreased in gestational week 26-30th and 40th week/at delivery (1.8 fold, p\<0.01) in pre-eclamptic patients. This study provides a proteomic insight into the pathophysiology of pre-eclampsia. Identified candidate proteins can be evaluated further for the development of potential biomarkers associated with pre-eclampsia pathogenesis.

}, doi = {10.1021/acs.jproteome.6b00955}, author = {Mary, Sheon and Kulkarni, Mahesh J. and Malakar, Dipankar and Joshi, Sadhana Ramchandra and Mehendale, Savita S. and Giri, Ashok P.} } @article {44092, title = {Polylactic acid (PLA) biocomposites filled with waste leather buff (WLB)}, journal = {Journal of Polymers and the Environment}, volume = {25}, year = {2017}, month = {DEC}, pages = {1099-1109}, type = {Article}, abstract = {A large amount of leather waste is generated from tanning industries and most of which are disposed of landfill or discharged into the natural water bodies without any treatment, causing environmental problems. The aim of this study is to develop eco-biocomposites using waste leather buff (WLB) as filler in Polylactic acid (PLA) matrix to reduce the environmental issues and provide sustainable solution. WLB/PLA composites were prepared by twins-screw micro extruder varying the WLB content from 2\% to 30 wt\%. These composite were extensively characterise by several techniques. Tensile properties of the composites showed addition of WLB resulted in improvement of tensile property of composite and reduction in percentage crystallinity of PLA matrix observed with increase in WLB content. The effect of WLB on properties of interfacial adhesion and dispersion in WLB/PLA composites were studied by SEM. Wettability of composites was tested by contact angle and water absorption studies. WLB/PLA composite showed increase in water absorption with WLB loading. These WLB/PLA composite could be used to develop low cost eco-friendly product material.}, doi = {10.1007/s10924-016-0891-3}, author = {Ambone, Tushar and Joseph, Seena and Deenadayalan, E. and Mishra, Satyendra and Jaisankar, S. and Saravanan, P.} } @article {43861, title = {Probing the solute-solvent interactions in the binary mixtures of ionic liquids with water and alcohols by conductance, viscosity and IR spectroscopy}, journal = {Journal of Molecular Liquids}, volume = {238}, year = {2017}, month = {JUL}, pages = {270-280}, type = {Article}, abstract = {The molar conductance and viscosities of the bisulfate ([HSO4](-)) and ethylsulfate ([EtSO4](-))-based imidazolium ionic liquids in various molecular solvents have been measured at 298.15 K as a function of concentration of ionic liquids (1 x 10(-4) to 0.1 mol L-1). It is shown that the anions have considerable effect on the molar conductance and association constant of the [HSO4](-) and [EtSO4](-)-based imidazolium ionic liquids. Higher molar conductance of the [HSO4](-)-based imidazolium ionic liquids in polar protic solvents (water and methanol) is noted as compared to the [EtSO4](-)-based imidazolium ionic liquids, though the [HSO4](-)-based imidazolium ionic liquids possess higher association constant in water than in methanol. The intermolecular interactions in the pure and binary mixture of [HSO4](-) and [EtSO4](-)-based imidazolium ionic liquids have been investigated by IR spectroscopy. The C-2-H stretching vibration frequency of the imidazolium ring reveals the H-bonding between cations and anions of pure ionic liquids and their solutions. The transport properties (limiting molar conductance, transport number, ionic mobility and diffusion coefficient) of cations and anions correlate well with the hydrodynamic radius in their aqueous solutions. The study shows that the energy barrier for charge transfer is minimal as compared to the fluidity of the aqueous solution of the studied ionic liquids obtained from the Arrhenius equation. (C) 2017 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.molliq.2017.05.005}, author = {Jain, Preeti and Kumar, Anil} } @article {44122, title = { Processing and characterization of waste leather based polycaprolactone biocomposites}, journal = {Polymer Composites}, volume = {38}, year = {2017}, month = {DEC}, pages = {2889-2897}, type = {Article}, abstract = {Waste leather buff (WLB) filled polycaprolactone (PCL) composites were prepared by twin-screw extrusion varying the WLB content from 2\% to 40\%. These composites were extensively characterized by several techniques in order to establish micro and macroscopic properties. Addition of WLB resulted in improvement of tensile modulus of neat PCL and reduction in percentage crystallinity of PCL matrix was observed with increase in WLB content. Interfacial adhesion and dispersion of WLB on PCL matrix was investigated using Scanning Electron Microscope. Percentage of water uptake increased with increase in concentration of WLB in the composite. These biodegradable composites could be used to develop low cost materials suitable for applications in footwear industry, for making bags, suitcases, etc., eliminating the environmental issues arising from WLB generated from tanneries in leather industry. POLYM. COMPOS., 38:2889-2897, 2017. (c) 2015 Society of Plastics Engineers}, doi = {10.1002/pc.23891}, author = {Joseph, Seena and Ambone, Tushar S. and Salvekar, Abhijit V. and Jaisankar, S. N. and Saravanan, P. and Deenadayalan, E.} } @article {45737, title = {Promotional effect of WOx in Pt-WOx/AlPO4-5 catalyzed deoxygenation of fatty acids}, journal = {ChemistrySelect}, volume = {2}, year = {2017}, month = {FEB}, pages = {1895-1901}, type = {Article}, abstract = {

WOx promoted Pt/AlPO4-5 catalysts with varying Pt and W contents were prepared by wet-impregnation method and characterized. Catalysts with Pt to W weight ratio of 1: 2 exhibited higher catalytic performance than the other compositions in deoxygenation of oleic acid (OA). WOx enhanced significantly the catalytic activity of Pt and enabled quantitative conversion of OA to linear alkanes (predominantly C-18/C-17) at a temperature as low as 280 degrees C. It changed the reaction pathway from decarbonylation/ decarboxylation (DCO for Pt/AlPO4-5) to hydrodeoxygenation (HDO for Pt-WOx/AlPO4-5). It affected the particle size and redox behaviour of Pt. The enhanced H-spill over (by 14.8\%) and presence of strong acid sites (300 - 500 degrees C) are the cause for the high activity of Pt-WOx/AlPO4-5 catalysts even at lower temperatures. Partially reduced WOx activates OA and leads to the HDO product (C-18). In the absence of WOx, Lewis acid sites of the support activate OA through the C=O group and Pt facilitates C-C cleavage and formation of DCO product (C-17).

}, keywords = {biofuels, Deoxygenation, Fatty acids, Green Diesel, Hydrocarbons}, issn = {2365-6549}, doi = {10.1002/slct.201700159}, author = {Janampelli, Sagar and Darbha, Srinivas} } @article {44124, title = { p-Selective (sp(2))-C-H functionalization for an acylation/alkylation reaction using organic photoredox catalysis}, journal = { Chemical Communications}, volume = {53}, year = {2017}, month = {NOV}, pages = {12337-12340}, type = {Article}, abstract = {p-Selective (sp(2))-C-H functionalization of electron rich arenes has been achieved for acylation and alkylation reactions, respectively, with acyl/alkylselenides by organic photoredox catalysis involving an interesting mechanistic pathway.}, doi = {10.1039/c7cc07529d}, author = {Pandey, Ganesh and Tiwari, Sandip Kumar and Singh, Bhawana and Vanka, Kumar and Jain, Shailja} } @article {44044, title = {Recovery of radio-cesium from actual high level liquid waste using solvents containing calix[4]arene-crown-6 ligands}, journal = {Journal of Environmental Chemical Engineering}, volume = {5}, year = {2017}, month = {AUG}, chapter = {4134-4140}, abstract = {

This paper gives two methods, viz. a solvent extraction method and a hollow fiber contactor based liquid membrane method, for the separation of radio-cesium from actual high level liquid waste (HLLW) solutions using calix[4]arene-crown-6 based solvent systems. While the solvent extraction method involved calix[4]arene-bis-benzo-crwon-6 (CBC) in PTMS (phenyltrifluoromethyl sulphone), the hollow fiber supported liquid membrane method used a polysulphone fiber containing contactor and bis-octyl-benzo-calix[4]arene-mono-crown-6 (CMC) in 40\% iso-decanol + 60\% n-dodecane. Both methods reported selective radio-cesium separation with almost no contamination from the associated fission product radionuclides. The radiolytic stability of the hollow fiber contactor was checked by keeping the contactor module in contact with the diluted HLLW for 50 days. The second run carried out after 50 days resulted in excellent reproducibility suggesting efficacy of this method for radioactive waste remediation.

}, keywords = {137Cs, Calix-crown-6, Cesium, fibers, Fission products, Hollow fiber contactor, Liquid membranes, liquids, PUREX-HLLW, Radioactive wastesSolvent extraction, solvent extraction, Solvents}, issn = {2213-3437}, doi = {10.1016/j.jece.2017.07.055}, author = {Jagasia, P. and Dhami, P. S. and Mohapatra, P. K. and Ansari, S. A. and Jadhav, S. Y. and Kalyankar, G. K. and Gandhi, P. M. and Kharul, U. K.} } @article {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 {43836, title = {Role of base fluid on the thermal conductivity of oleic acid coated magnetite nanofluids}, journal = {COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS}, volume = {529}, year = {2017}, month = {SEP}, chapter = {922-929}, abstract = {

Thermal conductivity enhancement of nanofluids of oleic acid coated magnetite nanoparticles dispersed in four different base fluids (toluene, xylene, mesitylene, kerosene) is studied to understand the role of the solvent (base fluid). From the correlation of the thermophysical properties of the base fluid with the thermal conductivity of the corresponding nanofluid, it is found that the nanofluid with the base fluid of lower intrinsic thermal conductivity and dielectric constant shows relatively larger enhancement in the thermal conductivity. A linear increase in the thermal conductivity with increasing viscosity is observed for all four nanofluids studied. The concentration dependent thermal conductivity studies showed enhancement only above a particular concentration, within the sensitivity of the measurement, and this critical concentration is different for the different nanofluids. The nanofluid with kerosene showed the lowest critical concentration for thermal conductivity enhancement compared to the other nanofluids. The difference between the experimental thermal conductivity and the calculated value using the Maxwell model is found to depend on the critical concentration. By assuming the critical concentration as the zero concentration, it is found that all the studied nanofluids almost follow the Maxwell model of thermal conductivity. Thus, for the dispersions of the same oleic acid coated magnetite nanoparticles, the base fluid affects the critical concentration for thermal conductivity enhancement, probably due to the interfacial effects arising from the surfactant-solvent interactions.

}, keywords = {Brownian-Motion, Enhancement, Heat-transfer Characteristics, Magnetic nanofluids, Maxwell model, Nanoparticles, Particle Migration, Size, stability, Suspension, Temprature, Thermal conductivity, Thermophysical properties, transport mechanism, viscosity}, issn = {0927-7757}, doi = {10.1016/j.colsurfa.2017.06.084}, author = {Lenin, Ramanujam and Joy, Pattayil Alias} } @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 {43966, title = {Selective and reusable Pt-WO x /Al 2 O 3 catalyst for deoxygenation of fatty acids and their esters to diesel-range hydrocarbons}, journal = {Catalysis Today}, volume = {309}, year = {2017}, month = {JUN}, pages = {219-226}, type = {Article}, abstract = {Tungsten oxide promoted platinum catalysts (Pt-WOx/Al2O3) of varying composition were prepared by wet impregnation method and reduced in hydrogen atmosphere. X-ray powder diffraction and photoelectron spectroscopy revealed that Pt is completely reduced to metallic state while tungsten is in +6 and +5 oxidation state. Pt crystallite and particle sizes increased (from 1.2 to 1.4 nm and 2.5 to 3 nm, respectively) in presence of WOx (CO-chemisorption and transmission electron microscopy). Tungsten addition augmented strong acid sites. It enhanced significantly the catalytic activity of Pt/Al2O3 in deoxygenation of fatty acids and their methyl esters. Tungsten altered the reaction pathway from decarbonylation/decarboxylation to hydrodeoxygenation. A catalyst with 4 wt\% Pt and 8 wt\% W exhibited high catalytic performance. Complete conversion of oleic acid and octadecane product selectivity in the range 67.1 - 80.8\% was obtained. Pt-WOx/Al2O3 is a stable and reusable fatty acid deoxygenation catalyst.}, keywords = {biofuels, Deoxygenation, Diesel-range hydrocarbons, Fatty acids, Pt catalyst}, issn = {0920-5861}, doi = {10.1016/j.cattod.2017.06.030}, author = {Janampelli, Sagar and Srinivas, Darbha} } @article {44144, title = {Selective isolation and eradication of E. coli associated with urinary tract infections using anti-fimbrial modified magnetic reduced graphene oxide nanoheaters}, journal = {Journal of Materials Chemistry B}, volume = {5}, year = {2017}, month = {OCT}, pages = { 8133-8142}, type = {Article}, abstract = {The fast and efficient elimination of pathogenic bacteria from water, food or biological samples such as blood remains a challenging task. Magnetic isolation of bacteria from complex media holds particular promise for water disinfection and other biotechnological applications employing bacteria. When it comes to infectious diseases such as urinary tract infections, the selective removal of the pathogenic species in complex media such as human serum is also of importance. This issue can only be accomplished by adding pathogen specific targeting sites onto the magnetic nanostructures. In this work, we investigate the potential of 2-nitrodopamine modified magnetic particles anchored on reduced graphene oxide (rGO) nanocomposites for rapid capture and efficient elimination of E. coli associated with urinary tract infections (UTIs) from water and serum samples. An optimized magnetic nanocarrier achieves a 99.9\% capture efficiency even at E. coli concentrations of 1 x 10(1) cfu mL(-1) in 30 min. In addition, functionalization of the nanostructures with poly(ethylene glycol) modified pyrene units and anti-fimbrial E. coli antibodies allowed specific elimination of E. coli UTI89 from serum samples. Irradiation of the E. coli loaded nanocomposite with a near-infrared laser results in the total ablation of the captured pathogens. This method can be flexibly modified for any other pathogenic bacteria, depending on the antibodies used, and might be an interesting alternative material for a magnetic-based body fluid purification approach.}, doi = {10.1039/c7tb01890h}, author = {Halouane, Fatima and Jijie, Roxana and Meziane, Dalila and Li, Chengnan and Singh, Santosh K. and Bouckaert, Julie and Jurazek, Jean and Kurungot, Sreekumar and Barras, Alexandre and Li, Musen and Boukherroub, Rabah and Szunerits, Sabine} } @article {44571, title = {Silver sequestration of halides for the activation of Pd(OAc) 2 catalyzed Mizoroki-Heck reaction of 1,1 and 1,2 - Disubstituted alkenes: Ag Sequestration for Pd catalyzed Heck reaction- disubstituted alkenes}, journal = {Applied Organometallic Chemistry}, volume = {32}, year = {2017}, month = {NOV}, pages = {e4159}, abstract = {A ligand free catalytic system consisting of Pd(OAc)2 (cat) and stoichiometric quantities of silver salts, AgOAc or AgBF4, exhibit high efficiency in the Mizoroki-Heck arylation, transforming aryl iodides and 1,1 as well as 1,2 disubstituted alkenes into 1,1,2 {\textendash} trisubstituted aryl alkenes in excellent yields in very short reaction times.}, keywords = {1, 1-disubstituted alkenes, 2-disubstituted alkenes, AgBF4, AgOAc, Mizoroki-Heck reaction}, issn = {0268-2605}, doi = {10.1002/aoc.4159}, author = {Bangar, Pronnoy G. and Jawalkar, Priyanka R. and Dumbre, Swapnil and Patil, Dharmaraj and Iyer, Suresh} } @conference {45710, title = {Solubility limits of ceria-zirconia-lanthana solid-solutions}, booktitle = {International Conference on Recent Trends in Engineering and Material Sciences (ICEMS)}, year = {2017}, month = {MAR}, publisher = {Elsevier Science BV, PO BOX 211, 1000 AE Amsterdam, Netherlands}, organization = {Elsevier Science BV, PO BOX 211, 1000 AE Amsterdam, Netherlands}, address = {Jaipur, India}, abstract = {

We demonstrate, the solubility limits of Ceria-Zirconia-Lanthana (CZLa) solid-solutions with the increase in heat-treatment temperature from 600 degrees C to 1300 degrees C. CZLa nano-crystalline samples were successfully synthesized by EDTA-Citrate complex method and were characterized by Raman Spectroscopy (RS) and Transmission Electron Microscopy (TEM) analysis. With an increase in temperature, it is noticed that the solubility limit is decreased in CZLa system. At 600 degrees C, a very good solubility is observed in CZLa system and is confirmed from RS analysis. At higher heat-treatment temperatures (1000 and 1300 degrees C), with an increase in La content, Zr precipitated in the CZLa system and is confirmed from RS analysis. The reason for such kind of behavior in this CZLa system is clearly explained in this work. (C) 2017 Elsevier Ltd. All rights reserved.

}, keywords = {Ceria-Zirconia Lanthana, EDTA-Citrate method, Raman spectroscopy, solubility limit, XRD}, author = {Abbas, Zenab and Surendran, Mythili and Anjana, P. A. and Jidev, P. K. and Dasari, Harshini and Naidu, Sudhakar N. and Anandhan, S. and Bhat, Udaya K. and Babu, Uday Bhaskar G. and Dasari, Hari Prasad} } @article {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 {43693, title = {Structural and dynamics studies of the TetR family protein, CprB from Streptomyces coelicolor in complex with its biological operator sequence}, journal = {Journal of Structural Biology}, volume = {198}, year = {2017}, month = {MAy}, pages = {134-146}, type = {Article}, abstract = {In Streptomycetes, tetracycline repressor family of transcription regulators (TetR-FTRs) controls various biological processes including antibiotic biosynthesis, cellular morphology and innate resistance. Here, we focus on understanding the structural basis of transcription regulation by CprB, a member of TetR-FTRs from S. coelicolor. CprB is implicated as a receptor of gamma-butyrolactones, a class of quorum sensing molecules, responsible for initiating secondary metabolic pathways. In order to understand the molecular mechanism of DNA recognition, the X-ray structure of CprB in complex with its biological relevant operator sequence was solved to a resolution of 3.95 angstrom. Furthermore, to refine and compliment the results, atomistic molecular dynamics simulations were carried out using the X-ray structure as the template. The studies reveal that CprB binds to DNA as dimer of dimers with this mode of interaction results in minimal distortion in the DNA, enabling these proteins to recognize multiple sequences with varying affinity. Another crucial finding from our simulation results was that the positively charged N-terminal arm of CprB brings extra stability to the protein-DNA complex by interacting with the minor-groove of the DNA and anchoring itself to the phosphate backbone. Corroborating electrophoretic mobility shift assay and fluorescence anisotropy experiments showed that the mutant AN6-CprB exhibited about 7-8 fold reduced DNA binding. Comparison with other TetR-FTRs reveals that this strategy is also employed by over 25\% of TetR-FTRs, where N-terminal anchoring mechanism is used to enhance selectivity for a particular DNA sequence. (C) 2017 Elsevier Inc. All rights reserved.}, doi = {10.1016/j.jsb.2017.03.006}, author = {Bhukya, Hussain and Jana, Asis K. and Sengupta, Neelanjana and Anand, Ruchi} } @article {43497, title = {Structural, magnetic, dielectric and magnetodielectric properties of Bi1-xCaxFe1-xMnxO3 in the morphotropic phase boundary region}, journal = {Materials Research Express}, volume = {4}, year = {2017}, month = {JAN}, pages = {Article Number: 016104}, abstract = {Structural, magnetic, dielectric and magnetodielectric properties of Ca and Mn co-substituted bismuth ferrite, Bi1-xCaxFe1-xMnxO3 (0 <= x <= 0.4) are reported. Structural studies by Rietveld refinement of XRD patterns revealed rhombohedral R3c structure for x <= 0.11 and orthorhombic Pbnm structure for x >= 0.2. For compositions in the range 0.11 < x < 0.2, mixed phase behaviour is observed showing a morphotropic phase boundary (MPB) region. Magnetisation at room temperature increases with increasing Ca and Mn content, showing weak ferromagnetism. Coercivity and remanence initially increase and then decrease with increasing x, showing a maximum for x = 0.175 in the MPB region. Dielectric constant also shows a maximum value in the mixed phase region. Magnetodielectric (MD) studies revealed positive MD for the R3c phase and a negative MD for the Pbnm phase, showing a maximum MD (similar to 1\%) for x approximate to 0.1 and crossover at x approximate to 0.175. The studies show strong interplay between the structure and properties, suggesting tuneable bismuth ferrite based compositions for magnetoelectric applications.}, doi = {10.1088/2053-1591/aa5686}, author = {Manjunath, B. and Thakuria, P. and Joy, P. A.} } @article {43858, title = {Structural phases, magnetic properties and Maxwell-Wagner type relaxation of CoFe2O4/Sr2Co2Fe12O22 ferrite composites}, journal = {Materials Research Express}, volume = {4}, year = {2017}, month = {JUL}, pages = {Article Number: 076105}, type = {Article}, abstract = {CoFe2O4 (S:Y-1:0) and Sr2Co2Fe12O22 (S:Y-0:1) ferrites were synthesized separately by using chemical coprecipitation technique and calcined at 1000 degrees C for 5 h. The mixed ferrite composites (S:Y-3:7, 4:6, 5:5, 6:4 and 7:3) were prepared by physical mixing of individual ferrite powders in required weight proportions. The prepared composites were heated at 1150 degrees C for 5 h in a muffle furnace and then slowly cooled to room temperature. The prepared ferrites were characterized using various instrumental techniques like FTIR, XRD, SEM, VSM and dielectric measurements. The x-ray diffraction studies of pure Sr2Co2Fe12O22 ferrite sample show the presence of M and Y-type hexagonal phases, while the composites consist of spinel and Y-type phases. FTIR spectra of all samples show two bands of Fe-O stretching vibrations. VSM results of composites reveal that the values of the saturation magnetization (M-s) vary from 50.44 emu g(-1) to 31.21 emu g(-1), while remanent magnetization values found from 11.18 emu g(-1) to 3.70 emu g(-1). A higher value of coercivity (H-c = 562 emu g(-1)) is observed in the composite S:Y-3:7 but Mr/Ms ratio of pure and composites is found to be less than 0.5. The dielectric behavior is explained using Maxwell-Wegner type interfacial polarization and N. Rezlescu{\textquoteright}s model.}, doi = {10.1088/2053-1591/aa7699}, author = {Patel, Chirag K. and Solanki, Neha P. and Singh, Charanjeet and Jotania, Rajshree B. and Chauhan, Chetna C. and Kulkarni, Shailja D. and Shirsath, Sagar E.} } @article {43773, title = {Studies on the role of unsaturation in the fatty acid surfactant molecule on the thermal conductivity of magnetite nanofluids}, journal = {Journal of colloid and interface science }, volume = {506}, year = {2017}, month = {NOV}, chapter = {162-168}, abstract = {

To study the role of unsaturation in the surfactant molecule on the thermal conductivity of magnetite nanofluids, four different fatty acid (stearic, oleic, linoleic, and linolenic acids with different degree of unsaturation) coated magnetite nanoparticles of comparable size are prepared and dispersed in toluene. It is found that the nanofluid with the saturated fatty acid coated nanoparticles show larger viscosity than the fluid with the unsaturated fatty acid coated particles at all concentrations. Thermal conductivity studies show enhancement only above a critical concentration for all fluids. The critical concentration for thermal conductivity enhancement varies with the surfactant, possibly due to the difference in the degree of aggregation of the nanoparticles in the fluid, because of the difference in the conformation of the surfactant molecules on the nanoparticle{\textquoteright}s surface. The experimental thermal conductivity follows the Maxwell model at higher concentrations. From the overall studies, it is observed that the thermal conductivity of the fluids with aggregated or assembled nanoparticles shows slightly larger enhancement than that of the fluids with isolated particles. However, in the presence of a magnetic field, the fluids with isolated nanoparticles showed relatively larger enhancement, possibly due to the easy response of the isolated magnetite nanoparticles to the applied field. (C) 2017 Elsevier Inc. All rights reserved.

}, keywords = {Chains, Dynamics, Enhancement, Fields, Fluids, Forces, gold nanoparticles, Magnetic fluid; Nanofluid; Surfactant; Unsaturation; Conformation; Thermal conductivity; Viscosity, Self-assembled Monolayers}, issn = {0021-9797}, doi = {10.1016/j.jcis.2017.07.038}, author = {Lenin, Ramanujam and Joy, Pattayil Alias} } @conference {44414, title = {Studies on use of sodium poly acrylate (SPA) for low salt animal skinpreservation}, booktitle = { IULTCS CONGRESS 2017}, year = {2017}, month = {FEB}, publisher = {Central Leather Research Institute}, organization = {Central Leather Research Institute}, address = { ITC CHOLA , CHENNAI}, abstract = {In this study, commercial sodium poly acrylate (SPA) is used along with sodium chloride for low salt skin preservation. SPA is a super-absorbent polymer which can absorb water many times of its own weight.}, author = {Sandhya, K. V. and Brindha, Velappan and Abinandan, Sudharsanam and Vedaraman, N. and John, Sundar V. and Suresha, P. R. and Badiger, Manohar and Chinnaraj, Velappan kandukalpatti and Muralidharan, C.} } @article {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 {43686, title = {Synthesis of gamma-WO3 thin films by hot wire-CVD and investigation of its humidity sensing properties}, journal = {Physica Status Solidi A-Applications and Materials Science}, volume = {214}, year = {2017}, month = {MAY}, pages = {Article Number: 1600717}, type = {Article}, abstract = {In this study, monoclinic tungsten oxide (gamma-WO3) have been grown in a single step using HW-CVD method by resistively heating W filaments in a constant O-2 pressure. The formation of gamma-WO3 was confirmed using low angle-XRD and Raman spectroscopy analysis. Low angle-XRD analysis revealed that as-deposited WO3 film are highly crystalline and the crystallites have preferred orientation along the (002) direction. HRTEM analysis and SAED pattern also show the highly crystalline nature of WO3 with d spacing of similar to 0.38 nm, having an orientation along the (002) direction. Surface topography investigated by SEM analysis shows the formation of a uniform and homogeneous cauliflower like morphology throughout the substrate surface without flaws and cracks. A humidity sensing device incorporating WO3 is also fabricated, which shows a maximum humidity sensitivity factor of similar to 3954\% along with a response time of similar to 14 s and a recovery time of similar to 25 s. The obtained results demonstrate that it is possible to synthesize WO3 in a single step by HW-CVD method and to fabricate a humidity sensor by using it. (C) 2017 WILEY-VCH Verlag GmbH \& Co. KGaA, Weinheim}, doi = {10.1002/pssa.201600717}, author = {Jadkar, Vijaya and Pawbake, Amit and Waykar, Ravindra and Jadhavar, Ashok and Date, Abhijit and Late, Dattatray and Pathan, Habib and Gosavi, Suresh and Jadkar, Sandesh} } @article {44033, title = {Synthesis of orthorhombic-molybdenum trioxide (α-MoO3) thin films by hot wire-CVD and investigations of its humidity sensing properties}, journal = {Journal of Materials Science Materials in Electronics}, volume = {1}, year = {2017}, month = {JUL}, type = {Article}, abstract = {In present work, we report synthesis of orthorhombic-molybdenum trioxide (α-MoO 3) thin films using home-build hot wire-CVD (HW-CVD) method simply by heating the Mo filament in a controlled O 2 atmosphere. The formation of α-MoO 3 was confirmed by low angle-XRD and Raman spectroscopy. Low angle-XRD analysis revealed that α-MoO 3 crystallites have orientations along (110), (101) and (111) directions while Raman spectroscopy analysis shows two prominent vibrational modes ~819 and ~994 cm -1 associated with Mo 2{\textendash}O and Mo=O respectively. SEM and TEM analysis show the formation of nano-sheets like morphology of α-MoO 3 thin films. The SAED pattern shows highly crystalline nature of α-MoO 3. The humidity-sensing properties were investigated at room temperature by fabricating the two probe device. The humidity sensing results showed n-type behavior of α-MoO 3. The maximum humidity sensitivity of ~6957\% along with response time of ~66 s and recovery time of ~5 s were observed for α-MoO 3 thin film humidity sensor device. Our results have opened up a new avenue to grow α-MoO 3 for humidity sensor applications.}, doi = {10.1007/s10854-017-7473-6}, author = {Jadkar, Vijaya and Pawbake, Amit S. and Waykar,Ravindra G. and Jadhavar, Ashok Arjun and Mayabadi, Azam and Date, Abhijit and Late, Dattatray J. and Pathan, Habib M. and Gosavi, Suresh W. and Jadkar, Sandesh R.} } @article {45705, title = {Synthesis, structure and DNA interaction studies of bisphosphoramides: theoretical and experimental insights}, journal = {Inorganica Chimica Acta}, volume = {461}, year = {2017}, month = {MAY }, pages = {84-91}, type = {Article}, abstract = {

New bisphosphoramides (having phenyl (EDAPOPh(2)) and ethoxy (EDADEP) substituents attached to phosphoryl groups bridged with ethylenediamine spacer) are synthesized and structurally characterized by spectroscopic techniques as well as elemental analysis. The molecular structure of EDAPOPh(2) was determined by single crystal X-ray diffraction technique. The interaction of these bisphosphoramides with calf thymus DNA (ct-DNA) is investigated using UV-Visible absorption and fluorescence spectral data as well as the DFT calculations. These studies reveal that EDAPOPh(2) and EDADEP interact with DNA in a partial intercalation mode. The intrinsic binding constants K-b of two different bisphosphoramides with ct-DNA were determined by fluorescence spectroscopy as 2.08 x 10(4) and 3.86 x 10(4) M-1 respectively. The results indicated that the two compounds bind to ct-DNA with different binding affinities, i.e. EDAPOPh(2) \> EDADEP. The binding mechanism of these bisphosphoramides to ct-DNA is also discussed. (C) 2017 Elsevier B.V. All rights reserved.

}, keywords = {Bisphosphoramides, crystal structure, DNA interaction, Molecular docking}, issn = {0020-1693}, doi = {10.1016/j.ica.2017.02.017}, author = {Goud, E. Veerashekhar and Sivaramakrishna, Akella and Vijayakrishna, Kari and Rao, C. V. S. Brahmmananda and Khedkar, Vijay M. and Jha, Prakash C.} } @inbook {43985, title = {Targeted quantification of the glycated peptides of human serum albumin}, booktitle = {Methods in Molecular Biology }, year = {2017}, pages = {403-416}, chapter = {Serum/Plasma Proteomics}, abstract = {

Glycated human serum albumin (HSA) serves as an important marker for monitoring the glycemic status. Developing methods for unambiguous identification and quantification of glycated peptides of HSA using high-throughput technologies such as mass spectrometry has a great clinical significance. The following protocol describes the construction of reference spectral libraries for Amadori-modified lysine (AML), N(ε)-(carboxymethyl) lysine (CML)-, and N(ε)-(carboxyethyl)lysine (CEL)-modified peptides of synthetically modified HSA using high-resolution mass spectrometers. The protocol also describes work flows, for unambiguous identification and quantification of glycated modified peptides of HSA in clinical plasma using standard spectral libraries by various mass spectrometry approaches such as parallel reaction monitoring (PRM), sequential window acquisition of all theoretical fragment ion spectra (SWATH), and MSE.

}, doi = {10.1007/978-1-4939-7057-5_28}, author = {Garikapati, Vannuruswamy and Korwar, Arvind M. and Jagadeeshaprasad, Mashanipalya G. and Kulkarni, Mahesh J.} } @article {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 {45671, title = {Total synthesis of tetrahydroisoquinoline-based bioactive natural products laudanosine, romneine, glaucine, dicentrine, and their unnatural analogues isolaudanosine and isoromneine}, journal = {Synthesis-Stuttgart}, volume = { 49 }, year = {2017}, month = {APR}, pages = {1655-1663}, type = {Article}, abstract = {Starting from suitably substituted homophthalic acids, total synthesis of titled alkaloids have been demonstrated in very good yields. The obtained natural products laudanosine and romneine were utilized to accomplish synthesis of two isoquinoline-based alkaloids glaucine and dicentrine. Base-induced selective generation of two different types of benzylic carbanions, their coupling reactions with 3,4-dimethoxybenzyl mesylate, and the regioselective iodination followed by intramolecular aryl-aryl coupling reactions to form the fused biaryl systems were the strategic steps.}, doi = {10.1055/s-0036-1588920}, author = {Jangir, Ravi and Argade, Narshinha P.} } @article {43799, title = {Transcriptional transitions in alphonso mango (Mangifera indica L.) during fruit development and ripening explain its distinct aroma and shelf life characteristics}, journal = {Scientific Reports}, volume = {7}, year = {2017}, month = {AUG}, type = {Article}, abstract = {Alphonso is known as the "King of mangos" due to its unique flavor, attractive color, low fiber pulp and long shelf life. We analyzed the transcriptome of Alphonso mango through Illumina sequencing from seven stages of fruit development and ripening as well as flower. Total transcriptome data from these stages ranged between 65 and 143 Mb. Importantly, 20,755 unique transcripts were annotated and 4,611 were assigned enzyme commission numbers, which encoded 142 biological pathways. These included ethylene and flavor related secondary metabolite biosynthesis pathways, as well as those involved in metabolism of starch, sucrose, amino acids and fatty acids. Differential regulation ( p-value <= 0.05) of thousands of transcripts was evident in various stages of fruit development and ripening. Novel transcripts for biosynthesis of mono-terpenes, sesqui-terpenes, di-terpenes, lactones and furanones involved in flavor formation were identified. Large number of transcripts encoding cell wall modifying enzymes was found to be steady in their expression, while few were differentially regulated through these stages. Novel 79 transcripts of inhibitors of cell wall modifying enzymes were simultaneously detected throughout Alphonso fruit development and ripening, suggesting controlled activity of these enzymes involved in fruit softening.}, doi = {10.1038/s41598-017-08499-5}, author = {Deshpande, Ashish B. and Anamika, Krishanpal and Jha, Vineet and Chidley, Hemangi G. and Oak, Pranjali S. and Kadoo, Narendra Y. and Pujari, Keshav H. and Giri, Ashok P. and Gupta, Vidya S.} } @article {43536, title = {Tubulointerstitial nephritis antigen-like 1 protein is downregulated in the placenta of pre-eclamptic women}, journal = {Clinical Proteomics}, volume = {14}, year = {2017}, month = {MAR}, pages = {Article Number: 8}, abstract = {Background: Tubulointerstitial nephritis antigen-like 1 protein (TINAGL1), is a matricellular protein, known to play role in cell adhesion and cell receptor interaction. Research related to TINAGL1 is limited to cell culture and animal models. Demonstration of TINAGL1 as a positive regulator of angiogenesis and its expression in the decidua of postimplantation mouse uterus, prompted us to validate its expression in human placenta during impaired angiogenesis in pre-eclamptic condition. Methods: Placental tissue from normotensive (n = 25) and pre-eclamptic (n = 25) pregnancies were used to study the differentially expressed proteins by two-dimensional gel electrophoresis and TINAGL1 protein was validated with Western blotting. Results: A total of 55 protein spots were differentially expressed (fold change > 1.5, p < 0.05), of which 27 were upregulated and 28 were downregulated in the pre-eclamptic placenta. TINAGL1 was found to be downregulated in pre-eclamptic compared to normotensive pregnant women. Conclusion: This is the first study reporting TINAGL1 to be present in human placenta and differentially expressed in pre-eclamptic condition. The functional role of TINAGL1 in association to human pregnancy needs to be explored further.}, doi = {10.1186/s12014-017-9144-2}, author = {Mary, Sheon and Kulkarni, Mahesh J. and Mehendale, Savita S. and Joshi, Sadhana R. and Giri, Ashok P.} } @article {45707, title = {Tuning of the magnetostrictive properties of cobalt ferrite by forced distribution of substituted divalent metal ions at different crystallographic sites}, journal = {Journal of Applied Physics}, volume = {121}, year = {2017}, month = {MAR}, type = {Article}, abstract = {Comparative studies have been made to understand the role of different crystallographic site preferences of the substituted non-magnetic divalent metal ions in the magnetostrictive properties of cobalt ferrite, by substitution of Zn2+ and/or Mg2+ for Fe3+ in CoMgxFe2-xO4, CoZnxFe2-xO4, and CoMgx/2Znx/2Fe2-xO4 (0.0 <= x <= 0.2). Detailed Raman spectral and magnetic characterizations are made to extract the information on the tetrahedral/octahedral site preferences of Zn and Mg in the spinel lattice of cobalt ferrite. The structural, microstructural, magnetic, Raman spectral, and magnetostrictive parameters of the studied compositions show distinguishable variations for x< 0.1 and x >= 0.1. Co-substitution of a small amount of Mg and Zn for Fe in CoMgx/2Znx/2Fe2-xO4 (x < 0.1) showed relatively larger strain sensitivity, [d lambda/dH](max) (-2.6 x 10(-9) mA(-1) for x = 0.05), higher than that for the Mg-substituted samples (-2.05 x 10(-9) mA(-1) for x = 0.05) and comparable to that for the Zn-substituted samples (-2.47 x 10(-9) mA(-1) for x = 0.05), without much drop in the maximum value of magnetostriction, lambda(max) (-189 ppm for x = 0.05) compared to that for the unsubstituted counterpart (-221 ppm). The results show that it is possible to obtain high strain sensitivity (at fields < 50 kA/m), along with high magnetostriction strain at low magnetic fields (similar to 250 kA/m), by tuning the distribution of the substituted cations in the tetrahedral and octahedral sites of the cobalt ferrite lattice. Published by AIP Publishing.}, doi = {10.1063/1.4977758}, author = {Anantharamaiah, P. N. and Joy, P. A.} } @article {43736, title = {Two-dimensional infrared spectroscopy reveals cosolvent-composition-dependent crossover in intermolecular hydrogen bond dynamics}, journal = {Journal of Physical Chemistry Letters}, volume = {8}, year = {2017}, month = {APR}, pages = {1604-1609}, type = {Article}, abstract = {Cosolvents have versatile composition-dependent applications in chemistry and biology. The simultaneous presence of hydrophobic and hydrophilic groups in dimethyl sulfoxide (DMSO), an industrially important amphiphilic cosolvent, when combined with the unique properties of water, plays key roles in the diverse fields of pharmacology, cryoprotection, and cell biology. Moreover, molecules dissolved in aqueous DMSO exhibit an anomalous concentration-dependent nonmonotonic behavior in stability and activity near a critical DMSO mole fraction of 0.15. An experimental identification of the origin of this anomaly can lead to newer chemical and biological applications. We report a direct spectroscopic observation of the anomalous behavior using ultrafast twodimensional infrared spectroscopy experiments. Our results demonstrate the cosolventconcentration-dependent nonmonotonicity arises from nonidentical mechanisms in ultrafast hydrogen-bond-exchange dynamics of water above and below the critical cosolvent concentration. Comparison of experimental and theoretical results provides a molecular-level mechanistic understanding: a distinct difference in the stabilization of the solute through dynamic solute solvent interactions is the key to the anomalous behavior.}, doi = {10.1021/acs.jpclett.7b00270}, author = {Kashid, Somnath M. and Jin, Geun Young and Chakrabarty, Suman and Kim, Yung Sam and Bagchi, Sayan} } @article {43975, title = {Ultrananocrystalline diamond decoration on to the single wall carbon nano tubes}, journal = {Applied Surface Science}, volume = { 418}, year = {2017}, month = {OCT}, pages = {401-405}, type = {Journal Article}, abstract = {

We have demonstrated the decoration of the ultrananocrystalline diamonds on single walled carbon nanotubes using a hot filament assisted chemical vapor deposition. Study reveals the critical influence of the filament to substrate distance on the formation of ultrananocrystalline diamonds on to the single walled carbon nanotubes. It is also observed that etching of carbon nanotubes, due to the presence of unavoidable atomic hydrogen throughout the chemical vapor deposition processes, can be significantly reduced by adjusting the filament to substrate distance. Morphological and structural investigations performed using high resolution transmission electron microscope suggests the growth of ultrananocrystalline diamond is subsequent to the formation of crystalline sp2 carbon layer on the nanotube wall, enabling us to suggest a growth model. The composite synthesized can be thought not only to use as a fuel cell catalyst support but also as chemical sensors, bio-sensors and micro electromechanical systems (MEMS).

}, keywords = {Carbon nanotubes, Composite Coating, Electron microscopy (STEM, Nanostructures, TEM and SEM)}, doi = { 10.1016/j.apsusc.2016.12.057}, author = {Sinha, B. and Late, D. and Jejurikar, S.M.} } @article {43984, title = {Unusual role of the aromatic solvent in single site Al(I) chemistry: insights from theory}, journal = {Chemistry - A European Journal}, volume = {23}, year = {2017}, month = {JUL}, pages = {13957-13963}, type = {Article}, abstract = {The single site activation of strong σ bonds (such as that of H-H, P-H and N-H) remains a significant challenge in main group chemistry, with only a few cases reported to date. In this regard, recent exciting experiments done with Al(I) complexes hold significance, because they, too, have been seen to activate a variety of strong σ bonds. Such chemistry is generally seen to occur in aromatic solvents. The current computational studies with density functional theory (DFT) reveal the interesting reason for this: it is seen that an explicit aromatic solvent molecule acts as a catalyst by converting the Al(I) complex to Al(III) during the process. Different cases of σ bond activation by Al(I) complexes have been investigated and the efficiency for the H-X (X=H, NHtBu, PPh2) bond activation in the presence of an explicit benzene solvent molecule has been seen to be orders of magnitude higher than in its absence. The current work therefore reveals the chemistry of Al(I) complexes to be richer and more complex than realized to date, and shows it to be dependent on metal-solvent cooperativity, the first known example of its kind in main group chemistry.}, doi = {10.1002/chem.201701642}, author = {Jain, Shailja and Vanka, Kumar} } @article {44006, title = {Valorization of potato peel: a biorefinery approach}, journal = {Critical Reviews in Biotechnology}, year = {2017}, month = {JUN}, chapter = {1-13}, abstract = {

Potato is the fourth main crop consumed worldwide and is an important constituent in the human diet. Consequently, potato is widely used in food-processing industries. However, these industries generate massive amounts of potato peel (PP) as a by-product, which is usually considered a waste, and is discarded. Interestingly, recent research suggests that PP is a valuable source of bioactive compounds, which can be converted into value-added products. In this study, we review the physicochemical composition and valorization of PP. In addition to being used as a dietary fiber or medicine, the value-added products obtained by the fermentation of PP have multiple uses, including their use as adsorbents, biocomposites and packaging materials. These products can also be used in energy production, biopolymer film development, corrosion inhibition and the synthesis of cellulose nanocrystals. The biorefinery approach for PP will increase the value of this waste by producing an array of value-added products and reducing extensive waste generation.

}, keywords = {Bioactive compounds, Biorefinery, Potato peel, Valorization, Value-added products}, doi = {10.1080/07388551.2017.1331337}, author = {Pathak, P. D. and Mandavgane, S. A. and Puranik, N. M. and Jambhulkar, S. J and Kulkarni, B. D.} } @article {43551, title = {Vapor-liquid equilibrium data for binary mixtures of acetic acid plus anisole, acetone plus anisole, and isopropanol plus anisole at pressure 96.15 kPa}, journal = {Journal of Chemical and Engineering Data}, volume = {62}, year = {2017}, month = {MAR}, pages = {947-953}, abstract = {In this work, the vapor-liquid equilibrium (VLE) data have been generated at the local atmospheric pressure of 96.15 kPa for the binary systems acetic acid + anisole, acetone + anisole, and isopropanol + anisole. A circulation type apparatus was designed and developed with few modifications in one of the stills proposed in the literature. For the validation of the new apparatus, VLE data were generated for the known system of N,N-DMF + aniline and compared with the literature data. The VLE data, generated in Txy form for all pairs, were found to be consistent through the point-to-point consistency test. Activity coefficient models, Wilson, NRTL, and UNIQUAC, were fitted to these data using an objective function of minimizing the sum of deviation between experimental and calculated total pressures to estimate the binary interaction parameters. The model predictions with estimated parameters were compared with the experimental data and found appropriate.}, doi = {10.1021/acs.jced.6b00700}, author = {Mali, Nilesh A. and Mali, Pawan K. and Patil, Asmita P. and Joshi, Sunil S.} } @article {44407, title = {Vapor-liquid equilibrium data for binary mixtures of dimethyl carbonate with methyl acetate, ethyl acetate, n-propyl acetate, isopropyl acetate, n-butyl acetate, and isoamyl acetate at 93.13 kPa}, journal = {Journal of Chemical and Engineering Data}, volume = {62}, year = {2017}, month = {DEC}, pages = {4356-4363}, abstract = {Isobaric vapor-liquid equilibrium (VLE) data was measured at the local atmospheric pressure of 93.13 kPa for the binary systems of dimethyl carbonate (DMC) with methyl acetate, ethyl acetate, n-propyl acetate, isopropyl acetate, n-butyl acetate, and isoamyl acetate using a dynamic recirculation still. VLE data was generated in the form of T-x,y and was checked for thermodynamic consistency using the Herington area test, Van Ness test, and mean absolute deviation between experimental and calculated total pressure and vapor phase composition. Data for all pairs meet the criteria for thermodynamic consistency and were found suitable for process modeling. Binary interaction parameters for the Wilson, nonrandom two-liquid (NRTL), and universal quasichemical (UNIQUAC) activity coefficient models were determined using the objective function of minimizing the deviation between the experimental and the calculated vapor phase composition and total pressure. For all binary systems, Wilson, NRTL, and UNIQUAC models gave good predictions. Azeotropic behavior was observed for the isopropyl acetate-DMC pair at 357.8 K and 0.6 mole fraction of isopropyl acetate.}, doi = {10.1021/acs.jced.7b00704}, author = {Mali, Nilesh A. and Yadav, Satyajeet S. and Ghuge, Pravin D. and Joshi, Sunil. S.} } @article {44029, title = {Viable alternative in vitro system and comparative metabolite profiling of different tissues for the conservation of ceropegia karulensis}, journal = {Plant Cell, Tissue and Organ Culture}, year = {2017}, month = {AUG}, pages = {1-15}, type = {Article}, abstract = {Abstract: Ceropegia karulensis is an endemic and critically endangered plant of the Western Ghats from India. Exploitation of the tubers and poor regeneration from seed has narrowed distribution and propagation of the species. There is a need to develop in vitro propagation methods for C. karulensis to alleviate these problems. Here, we optimized callus induction, somatic embryogenesis and microtuberization from different seedling explants viz. cotyledonary leaf and root. The environmental scanning electron microscopy was used to observe somatic embryonic origin and their developmental stages. Highest callus proliferation was recorded with 2 {\textmu}M 6-benzylaminopurine and 1 {\textmu}M 2,4-dichlorophenoxyacetic acid. Somatic embryos derived from cotyledonary leaf explants were more proliferative than root explants. The combination of 2 {\textmu}M 6-benzylaminopurine, 2 {\textmu}M naphthalene acetic acid and 7\% sucrose in MS media resulted in highest microtuberization. Further, gas chromatography-mass spectrometry based metabolic profiling was carried out from native wild plants and in vitro callus tissues which identified various phytochemicals such as alkaloids, fatty acids, esters alcohols, etc. Multivariate analysis revealed the chemical disparities, where considerable variations were observed between native wild type and in vitro tissues, but no significant differences were found among in vitro callus from both root and cotyledonary explants. Overall, our results suggested that the production of various secondary metabolites found in C. karulensis was not affected by in vitro propagation and could be utilized in the conservation strategies for this plant. Graphical Abstract: [Figure not available: see fulltext.]}, keywords = {alkaloids, Metabolites}, doi = {10.1007/s11240-017-1292-6}, author = {Pandey, M. and Jayaramaiah, R.H. and Dholakia, B.B and Punekar, S.A. and Giri, A.P.} } @article {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 {45443, title = { Albumin abundance and its glycation Status determine hemoglobin glycation}, journal = {ACS Omega}, volume = {3}, year = {2018}, month = {OCT}, pages = {12999-13008}, type = {Article}, abstract = {Diabetes diagnosis and management majorly depend upon the measurement of glycated hemoglobin (HbAlc) levels. Various factors influence HbAlc levels such as the use of various analytical methods and the presence of various clinical conditions. Plasma albumin levels were known to be negatively associated with HbAlc. However, the precise mechanism by which they affect HbAlc is not well{\textquoteright} understood. Therefore, we have studied the influence of albumin levels and its glycation status on hemoglobin glycation using erythrocyte culture experiments. Erythrocytes maintained at low albumin concentration exhibited relatively increased albumin and hemoglobin glycation as compared to that in those maintained at higher albumin concentration. Increase in albumin glycation may decrease its ability to protect hemoglobin glycation. This was demonstrated by treatment of erythrocytes with N(epsilon-(carboxymethyl)lysine-modified serum albumin (CMSA), which failed to protect hemoglobin glycation; instead, it increased hemoglobin glycation. The inability of CMSA to reduce hemoglobin glycation was due to the lack of free lysine residues of albumin, which was corroborated by using N(epsilon-(acetyI)lysine serum albumin (AcSA) and clinical diabetic plasma. This is the first study which demonstrates that the modification of lysine residues of albumin impairs its ability to inhibit hemoglobin glycation. Furthermore, correlation studies between HbAlc and albumin levels or relative albumin fructosamine from clinical subjects supported our experimental finding that albumin abundance and its glycation status influence hemoglobin glycation. Therefore, we propose albumin level and its glycation status to be quantified in conjunction with HbAlc for better management of diabetes.}, doi = {10.1021/acsomega.8b01702}, author = {Jagadeeshaprasad, Mashanipalya G. and Venkatasubramani, Vinashya and Unnikrishnan, Ambika G. and Kulkarni, Mahesh J.} } @article {44426, title = {Au26: a case of fluxionality/co-existence}, journal = {Physical Chemistry Chemical Physics }, volume = {20}, year = {2018}, month = {APR}, pages = {8616-8623}, type = {Article}, abstract = {

The Au26 cluster is one of the widely studied gold clusters in the size range of n = 21{\textendash}30. It has been proposed in a more recent combined experimental and theoretical study that the neutral Au26 cluster is fluxional. The fluxionality of a cluster is relevant to its catalytic applications. In this context, to explore the extent of fluxionality, Born Oppenheimer Molecular Dynamical (BOMD) simulations are carried out on experimentally and theoretically proposed fluxional Au26 conformations (three compact or core{\textendash}shell structures and a high symmetry cage structure). The simulations reveal that the high energy golden tube outperforms the ground state structure (compact C2v conformation) as well as the other two low-symmetry compact conformations in terms of thermal stability. The enhancement in the thermal stability is explained on the basis of structural integrity imposed by the open skeleton of shortest bond distances within Au26-Tube. In addition to this, the homogeneous distribution of charges and the strong s{\textendash}d hybridization exhibited by FMOs are seen to play a pivotal role in increasing the stability of Au26-Tube. The present investigation also reveals that the characteristic fluxionality proposed to exist in the Au26 system is noted only above 400 K and it is missing at room temperature. The simulations also bring forth the question of how relevant a ground state conformation is at working temperatures.

}, issn = {1463-9076}, doi = {10.1039/C7CP07997D}, author = {Joshi, Krati and Krishnamurty, Sailaja} } @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 {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 {44431, title = {Chiral amino-acid-amide based ionic liquids as a stereoselective organocatalyst in asymmetric transfer hydrogenation of acetophenone at room-temperature}, journal = {Chemistryselect}, volume = {3}, year = {2018}, month = {MAR}, pages = {2623-2625}, abstract = {Chiral Ionic Liquids (CILs) of amino acid amide were synthesized and used as novel organo catalyst for Asymmetric Transfer Hydrogenation (ATH) of acetophenone at room temperature. The developed CILs show very high yield and excellent enantio-selectivity in transfer hydrogenation of acetophenone.}, doi = {10.1002/slct.201800240}, author = {Javle, Balasaheb R. and Kinage, Anil K.} } @article {44651, title = {Cloning and characterization of trehalase: a conserved glycosidase from oriental midge, Chironomus ramosus}, journal = {3 Biotech}, volume = {8}, year = {2018}, month = {AUG}, pages = {352}, abstract = {

Insect trehalase is a multiferous enzyme, crucial for normal physiological functions as well as under stress conditions. In this report, we present a fundamental study of the trehalase gene segment (1587 bp) from Chironomus ramosus (CrTre) encoding for 529 amino acids, using appropriate bioinformatics tools. C. ramosus, a tropical midge is an emerging animal model to investigate the consequences of environmental stresses. We observed that CrTre belongs to GH family 37 in the CAZy database and possess 57-92\% identity to dipteran trehalases. In silico characterization provided information regarding the structural, functional and evolutionary aspects of midge trehalase. In the phylogenetic tree, CrTre clustered with the soluble dipteran trehalases. Moreover, domain functional characterization of the deduced protein sequence by InterProScan (IPR001661), ProSite (PS00927 and PS00928) and Pfam (PF01204) indicated presence of highly conserved signature motifs which are important for the identification of trehalase superfamily. Furthermore, the instability index of CrTre was predicted to be \< 40 suggesting its in vivo stability while, the high aliphatic index indicated towards its thermal stability (index value 71-81). The modelled 3D tertiary structure of CrTre depicts a (alpha/alpha)(6) barrel toroidal core. The catalytic domain of the enzyme comprised Glu424 and Asp226 as the putative active site residues. Interestingly, the conserved motifs were observed to be formed by the flexible loopy regions in the tertiary structure. This study revealed essential sequence features of the midge trehalase and offers better insights into the structural aspects of this enzyme which can be correlated with its function.

}, keywords = {Conserved motifs, Homology modelling, Midges, Secondary structure, trehalose}, issn = {2190-572X}, doi = {10.1007/s13205-018-1376-y}, author = {Shukla, Ekta and Thorat, Leena and Bendre, Ameya D. and Jadhav, Santosh and Pal, Jayanta K. and Nath, Bimalendu B. and Gaikwad, Sushama M.} } @article {44347, title = {Close loop separation process for the recovery of Co, Cu, Mn, Fe and Li from spent lithium-ion batteries}, journal = {Separation and Purification Technology}, volume = {200}, year = {2018}, month = {JUL}, pages = {327-334}, type = {Article}, abstract = {Lithium-ion batteries (LIBs) are essential energy source used in advanced electronic gadgets for getting constant and continuous power supply. Huge amount of spent LIBs are generated after their end use. LIBs contain metals, organics and plastics which require proper treatment before disposal. Keeping in view of stringent environmental regulations, limited natural resources and energy crisis, adopting recycling will not only protect the environment and pacify the gap between demand and supply but also conserve the natural resources. Present paper reports a complete process for the recycling of LIBs to recover metals and materials as value added products fulfilling zero waste concept. Initially, the spent LIBs were crushed and beneficiated by wet scrubbing process to separate cathodic material, plastic and metallic fractions. The cathodic material contained 20\% Co and 2.4\% Li along with other impurities (Mn, Fe, Cu). The cathodic material obtained from different LIBs were homogenized and put to leaching studies to optimize various process parameters viz. effect of leachant concentration, temperature, time, etc. About 97\% Co and 99.99\% Li were leached using 2 M H2SO4 and 10\% H2O2 at room temperature, in 2 h maintaining pulp density 75 g/L. Kinetics for leaching of Co fitted well with Chemical reaction control dense constant size cylindrical particles model, i.e. 1 - (1 - X)(1/2) = Kct. The leach liquor obtained was further processed to recover Mn and Fe using (NH4)(2)S2O8 as a precipitant whereas 99.99\% Cu was extracted using LIX 84 IC at eq. pH 2, O/A ratio 1/1 and mixing time 5 min. Further, from the leach liquor depleted with Mn, Fe and Cu, similar to 98\% Co was extracted using 20\% Cyanex 272 at pH 4.8 in 10 min maintaining phase ratio (O/A) 1/1 in two stages, leaving Li in the raffinate. From the pure Co solution, value added products as metal and salt were produced using electrowinning/evaporation/precipitation techniques. The TCLP test of leached residue shows the presence of metals within permissible limit and the effluent generated was treated in an effluent treatment plant (ETP) with standard procedure and recycled to the system. The developed clean process is economical as well as environment friendly and has potential to be translated in industry after scale-up studies.}, doi = {10.1016/j.seppur.2018.02.022}, author = {Dutta, Deblina and Kumari, Archana and Panda, Rekha and Jha, Soni and Gupta, Divika and Goel, Sudha and Jha, Manis Kumar} } @article {45597, title = {Cobalt-doped Ba2In2O5 brownmillerites: an efficient electrocatalyst for oxygen reduction in alkaline medium}, journal = {ACS omega }, volume = {3}, year = {2018}, month = {FEB }, pages = {1710{\textendash}1717}, type = {Article}, abstract = {A series of compounds with cobalt doping in the indium site of Ba2In2O5 brownmillerites exhibited excellent oxygen reduction activity under alkaline conditions. Doping (25\%) retains the brownmillerite structure with disorder in the O3 site in the two-dimensional alternate layer along the ab plane. Further substitution of cobalt in the indium site leads to the loss of a brownmillerite structure, and the compound attains a perovskite structure. Cobalt-doped samples exhibited far better oxygen reduction reaction (ORR) activity when compared to the parent Ba2In2O5 brownmillerite. Among the series of compounds, BaIn0.25Co0.75O3-δ with the highest Co doping and oxygen vacancies randomly distributed in the lattice exhibited the best ORR activity. BaIn0.25Co0.75O3-δ showed a 40 mV positive shift in the onset potential with better limiting current density and a nearly four-electron-transfer reduction pathway when compared to the parent Ba2In2O5 brownmillerite.}, issn = {2470-1343}, doi = { 10.1021/acsomega.7b01655}, author = {Jijil, C. P. and Patil, I. M. and Kakade, B. and Nandini Devi, R.} } @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 {44630, title = {Continuous flow synthesis of micron size silica nanoparticles: parametric study and effect of dosing strategy}, journal = {Journal of Flow Chemistry}, volume = {8}, year = {2018}, month = {JUN}, pages = {59-67}, abstract = {

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

}, keywords = {Flow synthesis, Multipoint injection, silica, TEOS, Tubular reactor}, issn = {2062-249X}, doi = {10.1007/s41981-018-0008-3}, author = {Jundale, Rajashri and Bari, Atul and Thara, Chinnu and Kulkarni, Amol} } @conference {45435, title = {Controlled release nanocomposite microcapsules for agricultural 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 (ACS) }, organization = {American-Chemical-Society (ACS) }, address = {Boston, MA}, author = {Shanmuganathan, Kadhiravan and Shukla, Parshuram and Jagtap, Siddheshwar and Patil, Vishal and Sapre, Aditya} } @article {45541, title = {Convenient synthesis of the enantiomerically pure (S)-2,4-dihydroxybutyl-4-hydroxybenzoate using hydrolytic kinetic resolution}, journal = {Synthetic Communications}, volume = {48}, year = {2018}, month = {JUL}, pages = { 2093-2098}, type = {Article }, abstract = {(S)-2,4-Dihydroxybutyl-4-hydroxybenzoate was prepared in an extremely simple and practical way with high enantiomeric excess (99\% ee) using Jacobsen{\textquoteright}s Hydrolytic Kinetic Resolution technique as a key step and source of chirality. }, doi = {10.1080/00397911.2018.1484486}, author = {More, N. A. and Jadhao, N. L. and Garud, D. R. and Gajbhiye, J. M.} } @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 {44451, title = {Design and synthesis of 2-amino-thiophene-tethered ureidopenicillin analogs with potentantibacterial and antitubercular activity}, journal = {ChemistrySelect}, volume = {3}, year = {2018}, month = {MAR}, pages = {3122-3126}, abstract = {Ureidopenicillins are a class of penicillins which are antibiotics active against gram-negative bacteria. Herein, we report the synthesis of 2-aminothiophene-tethered ureidopenicillin analogues and their in vitro antibacterial and antitubercular activity. Intriguingly, unlike the reported ureidopenicillins which are active against gram-negative bacteria, the synthesised 2-aminothiophene-tethered ureidopenicillins were significantly active against Gram-positive bacterial strains and showed moderate inhibition towards gram-negative bacterial strains. Among all the analogs, compound 1b containing 2-aminothiophene moiety with minimum inhibitory concentration (MIC): 0.29, 0.32, > 10, > 10 mg/ml for Staphylococcus aureus, Bacillus subtilis, Escherichia coli and Pseudomonas aeruginosa, respectively, showed better anti-bacterial profile as compared to cephalexin and equipotent to ampicillin and amoxicillin on gram-positive bacterial strains. All the derivatives were also screened for anti-TB activity against mycobacterium tuberculosis H37Ra. Among the series, cycloocta-thiophene-tethered cephalexin analog 3c displayed excellent antitubercular activity with MIC values 0.78 mg/ml. Low cytotoxicity and high selectivity index indicate the efficacy of 3c against mycobacterial infections. The results from present study offer a novel approach to modify the existing drug class of ureidopenicillins to yield antimicrobials with promising utility.}, doi = {10.1002/slct.201800027}, author = {Wagh, Mahendra A. and Baravkar, Sachin B. and Jedhe, Ganesh S. and Borkute, Rachna and Choudhari, Amit S. and Sarkar, Dhiman and Sanjayan, Gangadhar J.} } @article {45367, title = {Distribution of water in the pores of periodic mesoporous organosilicates - a proton solid state MAS NMR study}, journal = {Physical Chemistry Chemical Physics }, volume = {20}, year = {2018}, month = {DEC}, pages = {29351-29361}, type = {Article}, abstract = {Solid state proton (H-1) magic angle spinning (MAS) NMR has been employed to study the distribution of confined water in ethane substituted periodic mesoporous organosilicate (PMOE) materials. Proton spectra acquired at different hydration levels are analysed and interpreted in terms of water clusters of various sizes and distributions of water layers on the pore surface. For comparison, we also performed similar experiments on SBA-15. The formation of larger clusters at lower hydration suggests that the pores of PMOE are getting filled with water at lower hydration levels than those in SBA-15. For PMOE, the simultaneous presence of two major resonances in the ranges 3.6-4.1 ppm and 4.4-5.2 ppm and their behaviour upon hydration imply a water layer distribution that is the sum of two contributions, corresponding to fully filled and partially filled pores or pore segments. Furthermore, the behaviour mentioned above suggests that both radial and axial filling mechanisms play a significant role in the hydration process. For SBA-15, as a function of hydration, we observed a smooth variation in the proton chemical shift of the main dynamic resonance. In accordance with previous studies, this is attributed to the gradual increase in the average thickness of water layers with an increase in hydration, and to a pore filling mechanism that is predominantly radial.}, issn = {1463-9076}, doi = { 10.1039/c8cp04902e}, author = {Veena, V. S. and Illath, Kavya and Lazar, Anish and Vinod, C. P. and Ajithkumar, T. G. and Jayanthi, S.} } @article {44189, title = {Effect of alkali and alkaline earth metal on Co/CeO2 catalyst for the water gas shift reaction of waste derived synthesis gas}, journal = {Applied Catalysis A-General}, volume = {551}, year = {2018}, month = {FEB }, pages = {63-70}, type = {Article}, abstract = {

We prepared a series of alkali (Na and K) and alkaline earth metal (Ca and Ba) promoted Co/CeO2 catalysts to investigate the effect of the promoter on the catalytic performance of the catalyst in the high-temperature water gas shift (WGS) reaction of waste derived synthesis gas. Interestingly, alkali metal promoted catalysts deactivated rapidly compared to alkaline earth metal promoted catalysts. Alkaline earth metal promoted catalysts showed relatively higher stability (\>50 h) even at a very high gas hourly space velocity of 143,000 h(-1). X-ray diffraction (XRD) and transmission electron microscopy (TEM) results reveal that the higher stability of the alkaline earth metal promoted catalysts was due to the strong resistance to sintering, showing a relatively small crystallite size of metallic cobalt compared to the alkali metal promoted catalysts after WGS reaction.

}, keywords = {Alkaline earth metal, Co/CeO2, High temperature water-gas shift, Sintering resistance, stability, Waste derived synthesis gas}, issn = {0926-860X}, doi = {10.1016/j.apcata.2017.12.009}, author = {Lee, Yeol-Lim and Jha, Ajay and Jang, Won-Jun and Shim, Jae-Oh and Rode, Chandrashekhar V. and Jeon, Byong-Hun and Bae, Jong Wook and Roh, Hyun-Seog} } @article {44461, title = {Effect of support on the catalytic activity of WOx promoted Pt in green diesel production}, journal = {Molecular Catalysis}, volume = {451}, year = {2018}, month = {MAY}, pages = {125-134}, abstract = {Platinum and WOx-promoted platinum supported on SiO2-Al2O3, Al2O3, AlPO4-5 and ZrO2 catalysts were prepared by wet impregnation method and investigated for deoxygenation of oleic acid (OA, a representative fatty acid) producing diesel-range hydrocarbons. Support and WOx influenced the textural, electronic and catalytic properties of Pt. WOx promoted the deoxygenation activity through hydrodeoxygenation pathway. Structure-activity correlations revealed that metallicity of Pt and acidity of the catalyst are crucial in determining the catalytic performance and product selectivity. Among the catalysts tested, 4Pt-8WO(x)/ZrO2, having adequate metal dispersion and electron rich Pt (desired for hydrogen splitting), reduced WOx species (W5+;-desired for OA activation) and less amount of strong acid sites (desired to avoid hydrocracking) showed highest catalytic deoxygenation performance (OA conversion = 100 mol\% and C18 hydrocarbon selectivity = 89.4\% at 260 degrees C and 20 bar H-2 pressure). The study reveals that support plays a crucial role in determining the catalytic performance of platinum. (C) 2017 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.mcat.2017.11.029}, author = {Janampelli, Sagar and Darbha, Srinivas} } @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 {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 {44464, title = {Electrochemically synthesized faceted CuInTe2 nanorods as an electron source for field emission applications}, journal = {New Journal of Chemistry}, volume = {42}, year = {2018}, month = {APR}, pages = {5284-5294}, abstract = {Herein, CuInTe2 (CIT) thin films with faceted nanorod-like morphology have been synthesized on a flexible molybdenum foil using a water-based low-cost electrodeposition technique. The co-deposition potential for CIT was optimized using cyclic voltammetry with respect to that of the Ag/AgCl reference electrode, and films were deposited from -0.6 V to -0.9 V at the working temperature of 75 degrees C. The as-prepared CIT films exhibited an amorphous nature, whereas the RTP-annealed films exhibited a highly crystalline chalcopyrite nature as a function of the growth potential. A red shift was observed in the Raman spectra of the as-deposited films that shifted towards the original position upon annealing. The Cu/In ratio obtained by the EDS analysis was found to decrease systematically upon increasing the growth potential. X-ray photoelectron spectroscopy (XPS) studies revealed the presence of Cu+, Cu2+ satellites, In3+, Te2-, and Te4+ states of Cu, In, and Te. The field emission study showed a maximum current density of 1.74 mA cm(-2), which was attainable at an applied electric field of 1.5 V mu m(-1). The turn-on field was found to be 0.92 V mu m(-1), comparable to that of the carbon nanofibres. The emitter exhibited stable electron emission over a period of 3 hours. The faceted CIT nanorods with columnar growth are a potential candidate for application as an electron source, and herein, the field emission of CIT nanorods is reported for the first time.}, doi = {10.1039/c7nj04773h}, author = {Lakhe, Manorama G. and Joshi, Padmshree and Choudhary, Ram J. and Ganesan, V. and Joag, Dilip S. and Chaure, Nandu B.} } @article {45494, title = {Elucidating efficacy of biomass derived nanocomposites in water and wastewater treatment}, journal = {Journal of environmental management }, volume = {226}, year = {2018}, month = {NOV}, pages = { 95-105}, type = {Article }, abstract = {In the present study, two synthesis methods of nanocomposites-one involving a mixture of biomass and the other using chemical modification were investigated to evaluate practical application of green approach in pollution control, specifically for water and wastewater treatment. Newer multifunctional superparamagnetic nanocomposites using biomaterials such as unripened fruit of Cassia fistula (Golden shower) and Aloe vera were developed as an example of green approach while chemical modification was illustrated using n-octanol. Two specific model applications were studied for the developed materials-dye removal (Methyl Blue and Congo Red) and disinfection-demonstrating antimicrobial property. To elucidate the multifunctional character, the texture, morphology and composition of the prepared bionanocomposites were studied. The surface area values were 6.2 and 9.8 m(2)/g for Aloe vera and octanol based nanocomposites while the average pore diameters were 1.79 nm and 5.7 nm respectively, indicating presence of highly developed micropores in the first material having a honeycomb shape and the later showing excellent staircase type formation with larger pores. A very high dye removal to the extent of 100\% was obtained that can be attributed largely to the functionalities imparted from Cassia fistula compared to ingredients from Aloe vera and octanol. The nanomaterials could be completely separated with absolute ease by applying simple magnetic field. Also, successful application of the developed materials in disinfection, removal of E. coif, was demonstrated with a very high efficiency of over 95\%. The biomass derived nanocomposites exhibit excellent pollutant removal and disinfection properties, even at very low nanoparticle content; octanol based material indicating similar to 5 times lowered cost, while the Aloe vera based bionanocomposites have potential for cost reduction to the extent of 10 times as compared to only magnetite nanoparticles, thereby highlighting techno-economical alternative in water and wastewater treatment.}, issn = { 0301-4797}, doi = {10.1016/j.jenvman.2018.08.028}, author = {Kirti, Saumaya and Bhandari, Vinay M. and Jena, Jyotsnarani and Bhattacharyya, Arnab S} } @article {44202, title = {Enhanced strain sensitivity in magnetostrictive spinel ferrite Co1-xZnxFe2O}, journal = {Journal of Magnetism and Magnetic Materials}, volume = {447}, year = {2018}, month = {FEB}, pages = {150-154}, type = {Article}, abstract = {

We report the magnetic and magnetoelastic properties of spinel oxide system Co1-xZnxFe2O4 (CZF series) where x = 0.0, 0.1, 0.2, 0.3, 0.4, and 0.5. All the composition were prepared by conventional solid state synthesis method and exhibited pure spinel phase formation. The lattice parameters showed gradual increase indicating uniform distribution Zn ions in cobalt ferrite lattice. The magnetic properties such as saturation magnetization and coercive field were drastically affected with Zn substitution showing enhanced saturation magnetization and a sharp decrease in the coercivity. The room temperature magnetostrictive properties showed a promising 30\% enhancement in the slope of magnetostriction curve for x = 0.2 composition and a reasonable magnetostrictive strain of 110 ppm indicating its suitability as a promising magnetostrictive material. (c) 2017 Elsevier B.V. All rights reserved.

}, issn = {0304-8853}, doi = {10.1016/j.jmmm.2017.09.075}, author = {Bhame, Shekhar D. and Joy, P. A.} } @article {44395, title = {Enthalpic interactions in aqueous strong electrolytes upon addition of ionic liquids}, journal = {Physical Chemistry Chemical Physics}, volume = {20}, year = {2018}, month = {APR}, pages = {11089-11099}, abstract = {The present study deals with the inter-ionic interactions between strong electrolytes and ionic liquids based on the thermodynamic properties such as excess partial molar enthalpy, H-IL(E), relative apparent molar enthalpy, phi(L), and the enthalpic interaction parameters. The thermodynamic properties of the systems are the key indicators to understand the interionic interactions. We have conducted a systematic investigation of the enthalpic behavior of aqueous solution of salts and ionic liquids and their mixtures. The present study also emphasizes how the H-IL(E) values for the mixture of aqueous solution of ionic liquids and salts deviate from linearity as compared to those of the constituent aqueous ionic liquid or salt. This deviation from linearity for the H-IL(E) values has been discussed here.}, doi = {10.1039/c7cp07814e}, author = {Jain, Preeti and Kumar, Anil} } @article {44466, title = {Environmental impact study of bagasse valorization routes}, journal = {Waste and Biomass Valorization}, volume = {10}, year = {2018}, month = {JAN}, pages = {2067-2078}, type = {Article}, abstract = {India is the world{\textquoteright}s second largest sugarcane producer and a major manufacturer of molasses-derived ethanol. The sugarcane produced is widely used in the production of sugar and 1G ethanol. Though sugar and 1G ethanol are the major concerns, there is still a huge amount of bagasse waste generated in the sugar factories. This bagasse has also some end use value, as it can be utilized for production of methanol, 2G ethanol and electricity. Even though the technology for production of these value added products is well established, it is important to analyze the social, economical and environmental impacts associated with these production processes. This work compares the environmental impacts of various sugarcane conversion processes on life cycle basis. The functional unit used is one tonne of sugarcane cultivated in field. Four routes identified for bagasse conversion- conversion of bagasse to methanol (Route 1), conversion of bagasse to ethanol via 2 stage dilute acid process (Route 2), conversion of bagasse to ethanol via enzymatic process (Route 3) and electricity production from bagasse (Route 4). On comparison of these routes on midpoint indicators such as global warming potential (GWP), acidification potential (AP), eutrophication potential (EP) and ozone depletion potential (ODP) and photochemical ozone creation potential (POCP), it is observed that the methanol production is having the highest environmental indicator values. Even though ethanol production processes and cogeneration process are having nearly similar results, it can be said that cogeneration process is the more eco-friendly one.}, keywords = {Bagasse valorization, Environmental impact, LCA, Midpoint indicators}, issn = {1877-2641}, doi = {10.1007/s12649-018-0198-9}, author = {Mandavgane, Sachin Arvind and Joglekar, Saurabh and Tandulje, Akshay P. and Kulkarni, Bhaskar D.} } @article {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 {44473, title = {Exploiting functionalities of biomass in nanocomposite development: application in dye removal and disinfection along with process intensification}, journal = {Clean Technologies and Environmental Policy}, volume = {20}, year = {2018}, month = {JUL}, pages = {981-994}, abstract = {A green synthesis of multifunctional superparamagnetic nanocomposites using the whole unripened fruit of Cassia fistula (Golden shower) with potential for removal of both cationic and anionic dyes and antimicrobial property is reported for the first time in the present work. A natural medium in the form of clarified butter was used to enhance the multifunctional character. The surface morphology, textural characteristics and composition of the prepared nanoparticles and composites were studied to understand the multifunctional nature. The dye removal was investigated for four different dyes, namely methyl blue, Congo red, rhodamine-B and auramine. Iron nanoparticles were largely effective in the removal of acidic dyes, while the magnetic nanocomposites were effective for the removal of both acidic and basic dyes which can be attributed to the functionalities imparted from Cassia fistula and clarified butter. The dye removal behavior can be significantly enhanced (similar to 50\%) using process intensification-adsorption coupled with acoustic cavitation, which also indicated a reduced adsorbent loading as compared to the conventional adsorptive dye removal. The nanomaterials were completely separated from dye solution with absolute ease of separation by applying simple magnetic field. Also, the developed materials were useful in disinfection of E. coli with a high efficiency of 90\% confirming significant antimicrobial property at lower concentrations.}, doi = {10.1007/s10098-018-1519-1}, author = {Kirti, Saumaya and Bhandari, Vinay M. and Jena, Jyotsnarani and Sorokhaibam, Laxmi Gayatri and Bhattacharyya, Arnab S.} } @article {44476, title = {Facile and solvent-free domino synthesis of new quinolidinyl-2,4-thiazolidinones: antifungal activityand molecular docking}, journal = {Mini-Reviews in Medicinal Chemistry}, volume = {18}, year = {2018}, month = {JAN}, pages = {622-630}, abstract = {Objective: We have synthesized new quinolidinyl-thiazolidinones via Knoevenagel condensation-alkylation reaction, catalyzed by [Et3NH][HSO4]. The present approach offers several advantages such as higher yields, eco-friendly reaction condition and economic availability of the catalyst. Method: The newly synthesized compounds were evaluated for their in vitro antifungal activity against six fungal strains. Some of the synthesized conjugates displayed good to moderate antifungal activity. Conclusion: Again, the molecular docking study performed against the fungal sterol 14 alpha-demethylase (CYP51) showed an excellent binding affinity towards the enzyme which could rationalize the promising antifungal activity portrayed by these derivatives and provides a platform for structure based drug design.}, doi = {10.2174/1389557516666161226161152}, author = {Subhedar, Dnyaneshwar D. and Shaikh, Mubarak H. and Tupe, Santosh G. and Deshpande, Mukund V. and Khedkar, Vijay M. and Jha, Prakash C. and Shingate, Bapurao B.} } @article {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 {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 {44479, title = {GA3 application in grapes (Vitis vinifera L.) modulates different sets of genes at cluster emergence, full bloom, and berry stage as revealed by RNA sequence-based transcriptome analysis}, journal = {Functional \& Integrative Genomics}, volume = {18}, year = {2018}, month = {JUL}, pages = {439{\textendash}455}, abstract = {In grapes (Vitis vinifera L.), exogenous gibberellic acid (GA3) is applied at different stages of bunch development to achieve desirable bunch shape and berry size in seedless grapes used for table purpose. RNA sequence-based transcriptome analysis was used to understand the mechanism of GA3 action at cluster emergence, full bloom, and berry stage in table grape variety Thompson Seedless. At cluster emergence, rachis samples were collected at 6 and 24 h after application of GA3, whereas flower clusters and berry samples were collected at 6, 24, and 48 h after application at full bloom and 3{\textendash}4 mm berry stages. Seven hundred thirty-three genes were differentially expressed in GA3-treated samples. At rachis and flower cluster stage respectively, 126 and 264 genes were found to be significantly differentially expressed within 6 h of GA3 application. The number of DEG reduced considerably at 24 h. However, at berry stage, major changes occurred even at 24 h and a number of DEGs at 6 and 24 h were 174 and 191, respectively. As compared to upregulated genes, larger numbers of genes were downregulated. Stage-specific response to the GA3 application was observed as evident from the unique set of DEGs at each stage and only a few common genes among three stages. Among the DEGs, 67 were transcription factors. Functional categorization and enrichment analysis revealed that several transcripts involved in sucrose and hexose metabolism, hormone and secondary metabolism, and abiotic and biotic stimuli were enriched in response to application of GA3. A high correlation was recorded for real-time PCR and transcriptome data for selected DEGs, thus indicating the robustness of transcriptome data obtained in this study for understanding the GA3 response at different stages of berry development in grape. Chromosomal localization of DEGs and identification of polymorphic microsatellite markers in selected genes have potential for their use in breeding for varieties with improved bunch architecture.}, keywords = {Bunch architecture, GA3 response, Microsatellite markers, RNA seq, Transcription factors, Vitis vinifera}, issn = {1438-793X}, doi = {10.1007/s10142-018-0605-0}, author = {Upadhyay, Anuradha and Maske, Smita and Jogaiah, Satisha and Kadoo, Narendra Y. and Gupta, Vidya S.} } @article {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 {44485, title = {Global transcriptome analysis of grapevine ( Vitis vinifera L.) leaves under salt stress reveals differential response at early and late stages of stress in table grape cv. Thompson Seedless}, journal = {Plant Physiology and Biochemistry}, volume = {129}, year = {2018}, month = {MAY}, pages = {168-179}, abstract = {Among the different abiotic stresses, salt stress has a significant effect on the growth and yield of grapevine (Vitis vinifera L.). In this study, we employed RNA sequence based transcriptome analysis to study salinity stress response in grape variety Thompson Seedless. Salt stress adversely affected the growth related and physiological parameters and the effect on physiological parameters was significant within 10 days of stress imposition. A total of 343 genes were differentially expressed in response to salt stress. Among the differentially expressed genes (DEGs) only 42 genes were common at early and late stages of stress. The gene enrichment analysis revealed that GO terms related to transcription factors were over-represented. Among the DEGs, 52 were transcription factors belonging to WRKY, EREB, MYB, NAC and bHLH families. Salt stress significantly affected several pathways like metabolic pathways, biosynthesis of secondary metabolites, membrane transport development related pathways etc. 343 DEGs were distributed on all the 19 chromosomes, however clustered regions of DEGs were present on chromosomes 2, 5, 6 and 12 suggesting probable QTLs for imparting tolerance to salt and other abiotic stresses. Real-time PCR of selected genes in control and treated samples of grafted and own root vines demonstrated that rootstock influenced expression of salt stress responsive genes. Microsatellite regions were identified in ten selected salt responsive genes and highly polymorphic markers were identified using fifteen grape genotypes. This information will be useful for the identification of key genes involved in salt stress tolerance in grape. The identified DEGs could also be useful for genome wide analysis for the identification of polymorphic markers for their subsequent use in molecular breeding for developing salt tolerant grape genotypes.}, doi = {10.1016/j.plaphy.2018.05.032}, author = {Upadhyay, Anuradha and Gaonkar, Tulsi and Upadhyay, Ajay Kumar and Jogaiah, Satisha and Shinde, Manisha P. and Kadoo, Narendra and Gupta, Vidya Shrikant} } @article {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 {44351, title = {In situ phase transformation synthesis of unique Janus Ag2O/Ag2CO3 heterojunction photocatalyst with improved photocatalytic properties}, journal = {Applied Surface Science}, volume = {445}, year = {2018}, month = {JUL}, pages = {555-562}, type = {Article}, abstract = {Herein, Ag2O/Ag2CO3 nanocomposite with unique Janus morphology was synthesized by a facile ion-exchange followed by an in situ phase transformation method with precise control of its nucleation and growth processes. Contrary to conventional synthetic procedures of Janus architectures, the present Janus system was constructed without the need for surfactants or toxic chemicals. Most importantly, the visible-light-absorbing Janus Ag2O/Ag2CO3 nanocomposite exhibits a remarkable performance toward the degradation of Rhodamine B and 4-chlorophenol, far superior to that observed for bare Ag2CO3. The obvious enhancement of the photocatalytic performance of this nanocomposite is mainly attributed to the intimate Ag2O/Ag2CO3 interface created by its exceptional Janus architecture, which in turn allows for rapid charge transfer processes. Additionally, the Janus system exhibited a high photostability during recycling experiments with no significant change in the degradation activity. (C) 2018 Published by Elsevier B.V.}, doi = {10.1016/j.apsusc.2018.03.194}, author = {Jo, Wan-Kuen and Kumar, Santosh and Yadav, Poonam and Tonda, Surendar} } @article {44503, title = { In vitro propagation of Digitalis lanata Ehrh. through direct shoot regeneration - A source of cardiotonic glycosides}, journal = {Industrial Crops and Products}, volume = {121}, year = {2018}, month = {OCT}, pages = {313-319}, type = {Article}, abstract = {

An efficient method for the in vitro propagation of Digitalis lanata Ehrh. through direct organogenesis from leaf and petiole explants has been standardised. MS basal medium supplemented with cytokinins BAP, KIN, TDZ either alone or along with auxins IAA and NAA at different concentrations were tried. TDZ at 4.54 and 6.81 μmol/l were optimum for direct regeneration of shoots from leaf (4.4 {\textpm} 0.6 shoots/explant), and petiole (3.0 {\textpm} 0.8 shoots/explant) explants respectively. Among the various concentrations of auxins IAA, IBA and NAA tried for rooting, the best response occurred on MS basal medium supplemented with 17.13 μmol/l IAA. On greenhouse transfer about 60\% of the plantlets survived. In vitro raised plantlets were morphologically similar to mother plants. Cardiotonic glycosides digoxin and digitoxin were extracted by modified methods and estimated by HPLC. There were no significant differences in digoxin and digitoxin content in leaves of naturally grown and in vitro raised plants. The method for in vitro propagation of D. lanata through direct organogenesis from leaf and petiole explants reported here will be of great use for the rapid and large scale clonal propagation, production of biomass for extraction of cardiotonic glycosides, ex situ conservation, and improvement through conventional plant breeding and transgenic methods.

}, issn = { 0926-6690}, doi = {10.1016/j.indcrop.2018.05.019}, author = {Bhushan Bhusare and John, C. K. and Bhatt, V. P. and Nikam, T. D.} } @article {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 {45363, title = {Interconverting hydrogen-bonding and weak n -> pi* interactions in aqueous solution: A direct spectroscopic evidence}, journal = {Journal of Physical Chemistry Letters}, volume = {9}, year = {2018}, month = {SEP}, pages = {5425-5429}, type = {Article}, abstract = {

Molecular structure and function depend on myriad noncovalent interactions. However, the weak and transient nature of noncovalent interactions in solution makes them challenging to study. Information on weak interactions is typically derived from theory and indirect structural data. Solvent fluctuations, not revealed by structure analysis, further complicate the study of these interactions. Using 2D infrared spectroscopy, we show that the strong hydrogen bond and the weak n -\> pi* interaction coexist and interconvert in aqueous solution. We found that the kinetics of these interconverting interactions becomes faster with increasing water content. This experimental observation provides a new perspective on the existence of weak noncovalent interactions in aqueous solution.

}, author = {Deb, Pranab and Jin, Geun Young and Singh, Santosh K. and Moon, Juran and Kwon, Hyejin and Das, Aloke and Bagchi, Sayan and Kim, Yung Sam} } @article {44389, title = {Isobaric vapor-liquid equilibrium data for binary systems of anisole with methyl acetate, ethyl acetate, n-propyl acetate, and isopropyl acetate at 93.9 kPa}, journal = {Journal of Chemical and Engineering Data}, volume = {63}, year = {2018}, month = {MAY}, pages = {1761-1766}, abstract = {The present work reports experimental isobaric vapor-liquid equilibrium data at 93.9 kPa pressure using a dynamic recirculation still for four binary pairs of acetates with anisole. The suitability of the experimental data for modeling was established by performing the Herington area test, Van Ness test, and mean absolute deviation test. Binary interaction parameters necessary for process modeling were derived through the regression of the VLE data for Wilson, NRTL, and UNIQUAC activity coefficient models with a suitable objective function. VLE data in the form of T-x, y plots indicates no formation of azeotropes for all pairs.}, doi = {10.1021/acs.jced.8b00063}, author = {Bhoi, Bharat R. and Mali, Nilesh A. and Joshi, Sunil S.} } @article {45355, title = { KLTL-MCM-41 micro-mesoporous composite as a solid base for the hydrogenation of sugars }, journal = {Catalysis Science \& Technology}, volume = {8}, year = {2018}, month = {DEC}, pages = { 6429-6440}, type = {Article}, abstract = {An approach to the synthesis of KLTL-MCM-41 micro-mesoporous composites of varying SiO2/Al2O3 molar ratio (20-8) was designed by following green technology. The synthesis was based on the recycling of waste mother liquor containing preformed KLTL zeolite crystals and unutilized reagents. The micro-mesoporous composites consist of KLTL zeolite crystals preformed through hydrothermal treatment in the first step. In the second step, the siliceous mother liquor was transformed into mesoporous MCM-41. The physico-chemical properties of the KLTL-MCM-41 micro-mesoporous composites were determined by PXRD, ICP-OES, FTIR, CO2-TPD, Al-27 MAS-NMR, TEM-EDX, HRTEM, and N-2 adsorption-desorption measurements. The mesopores properties of the KLTL-MCM-41 composites depended on the SiO2/Al2O3 molar ratio. The characterization results led to the following conclusions with decreasing SiO2/Al2O3 molar ratio: 1) decreasing order of the mesophase, 2) decreasing wall thickness of the mesopores, and 3) decreasing BET surface area and pore volume. Al-27 MAS-NMR spectra showed that only tetrahedrally coordinated aluminium was contained in zeolite KLTL. Moreover, the total amount and the strength of the basic sites of the KLTL-MCM-41 micro-mesoporous composites owing to the exchangeable potassium content (Al/K ratio approximate to 1) decreased in the order: 8 MMC > 10 MMC > 15 MMC > 20 MMC. The catalytic activity of the synthesized micro-mesoporous samples as a solid base was tested for the hydrogenation of xylose to sugar alcohols}, issn = {2044-4753}, doi = {10.1039/c8cy01716f}, author = {Tangale, Nilesh P. and Niphadkar, Prashant S. and Joshi, Praphulla N. and Dhepe, Paresh L.} } @article {44514, title = {Lipase catalyzed synthesis of antimicrobial andrographolide derivatives}, journal = {Data in Brief}, volume = {18}, year = {2018}, month = {JUN}, pages = {1134-1141}, abstract = {In this data article we describe screening of various lipases for the regioselective acylation of Andrographolide. Each lipase was screened with seven acyl donors. Amano lipase AK from Pseudomonas fluorescens was used for the synthesis of two new acylated andrographolide derivatives. Two new compounds, andrographolide-14-propionate and andrographolide-14-caproate were characterized by various spectral studies. These two derivatives showed more antimicrobial activity than andrographolide.}, doi = {10.1016/j.dib.2018.03.103}, author = {Patil, Harshal S. and Jadhav, Dipesh and Paul, Ajay and Mulani, Fayaj Alam and Karegaonkar, Shrikant J. and Thulasiram, Hirekodathakallu V.} } @article {44354, title = {Magnetically tunable liquid dielectric with giant dielectric permittivity based on core-shell superparamagnetic iron oxide}, journal = {Nanotechnology}, volume = {29}, year = {2018}, month = {JUL}, pages = {Article Number: 265707}, type = {Article}, abstract = {A liquid dielectric based on a core-shell architecture having a superparamagnetic iron oxide core and a shell of silicon dioxide was synthesized. The frequency dependence of dielectric properties was evaluated for different concentrations of iron oxide. The dependence of magnetic field on the dielectric properties was also studied. Aqueous ferrofluid exhibited a giant dielectric constant of 6.4 x 10(5) at 0.1 MHz at a concentration of 0.2 vol\% and the loss tangent was 3. The large rise in dielectric constant at room temperature is modelled and explained using percolation theory and Maxwell-Wagner-Sillars type polarization. The ferrofluid is presumed to consist of nanocapacitor networks which are wired in series along the lateral direction and parallel along longitudinal direction. On the application of an external magnetic field, the chain formation and its alignment results in the variation of dielectric permittivity.}, doi = {10.1088/1361-6528/aabc4e}, author = {Vinayasree, S. and Nitha, T. S. and Tiwary, C. S. and Ajayan, P. M. and Joy, P. A. and Anantharaman, M. R.} } @article {44232, title = {Mechanical activation in reduced graphite oxide/boron nitride nanocomposite electrocatalysts for significant improvement in dioxygen reduction}, journal = {Sustainable Energy \& Fuels}, volume = {2}, year = {2018}, month = {JAN}, pages = {252-261}, type = {Article}, abstract = {

A nanocomposite of reduced graphite oxide (rGO) with hexagonal boron nitride (h-BN) is prepared using a simple hydrothermal method. Significant enhancement in the surface area of the composite is mainly due to the pre-mechanical activation of pristine GO. The structural and morphological study reveals the formation of a homogeneous nanocomposite and masking of rGO sheets over micron sized h-BN particles respectively. Interestingly, the as-synthesized GOBN2-BM composite (nanocomposite of 2 wt\% h-BN with mechanically activated GO) catalyst exhibits significant oxygen electroreduction kinetics in terms of onset potential (E-onset = 0.89 V), half-wave potential (E-1/2 = 0.74 V) and limiting current density (J(L) = 4.4 mA cm(-2)) with a single step similar to 4-electron transfer pathway in alkaline medium. Though the composite catalysts exhibit higher overpotential (110 mV) than state-of-the-art Pt/C catalysts, they are much superior to previously reported carbon or h-BN based nanocomposite electrocatalysts. Importantly, the GOBN2-BM nanocomposite shows excellent tolerance towards both methanol oxidation and CO poisoning. Moreover, the nanocomposite catalysts show substantially higher stability than Pt/C catalysts even after 5000 cycles under similar conditions. Additionally, they show a better relative current stability (95\% retention) than that of a Pt/C catalyst, signifying immense selectivity and durability towards oxygen electroreduction kinetics. The electrocatalytic oxygen reduction activity of the nanocomposite is mainly attributed to the high surface area (thanks to mechanical activation of GO, leading to increased pore distribution) as well as the synergistic mechanism between the h-BN and carbon network of rGO. Hence, it could be a potential cathode catalyst to replace precious-metal based catalysts in alkaline fuel cells.

}, issn = {2398-4902}, doi = {10.1039/c7se00461c}, author = {Patil, Indrajit M. and Jijil, Chamundi P. and Lokanathan, Moorthi and Swami, Anita and Kakade, Bhalchandra} } @article {44620, title = {Mechanism of nickel(II)-catalyzed C(2)-H alkynylation of indoles with alkynyl bromide}, journal = {Organometallics}, volume = {37}, year = {2018}, month = {JUL}, pages = {2037-2045}, abstract = {

The nickel system (THF)(2)NiBr2/phen has recently been shown as an efficient catalyst for the C-H bond alkynylation of diverse heteroarenes with (triisopropylsilyl)alkynyl bromide via monodentate chelation assistance. Herein, we report an extensive mechanistic investigation for the direct alkynylation of indoles involving the well-defined nickel catalyst, which features a coordinative insertion pathway of alkynyl bromide with the Ni(II) catalyst. Catalytic relevant nickel complexes, (phen)NiCl2 (5), (phen)(2)NiCl2 (6) and [(phen)(3)Ni].NiCl4 (7) were isolated, and the complexes 6 and 7 were structurally characterized. Well-defined complexes were as competent as the in situ generated catalyst system (THF)(2)NiBr2/phen for the alkynylation of indoles. Various controlled studies and reactivity experiments were performed to understand the probable pathway for the alkynylation reaction. Kinetics analysis highlights that the complex (phen)NiX2 acts as a precatalyst, and the involvement of substrate indole and LiO{\textquoteright}Bu are essential for the generation of the active catalyst. Deuterium labeling and kinetic studies suggest that the process involving C-H cleavage and carbo-nickelation of indole is a crucial rate influencing step. Reactivity study of various alkynyl compounds with nickel-species highlights a migratory insertion route for the reaction. DFT calculations firmly support the experimental findings and suggest the coordinative insertion pathway of alkynyl bromide rather than oxidative addition toward the nickel(II) center.

}, issn = {0276-7333}, doi = {10.1021/acs.organomet.8b00177}, author = {Khake, Shrikant M. and Jain, Shailja and Patel, Ulhas N. and Gonnade, Rajesh G. and Vanka, Kumar and Punji, Benudhar} } @article {44517, title = {Mechanistic aspects of pincer nickel(II)-catalyzed C-H bond alkylation of azoles with alkyl halides}, journal = {Organometallics}, volume = {37}, year = {2018}, month = {MAR}, pages = {1017-1025}, abstract = {

The quinolinyl-based pincer nickel complex, kappa(N),kappa(N),kappa(N)-{C9H6N-(mu-N)-C6H4-NMe2}NiCl [((NNNMe2)-N-Q)-NiCl; (1)] has recently been demonstrated to be an efficient and robust catalyst for the alkylation of azoles with alkyl halides under copper-free conditions. Herein, we report the detailed mechanistic investigation for the alkylation of azoles catalyzed by ((NNNMe2)-N-Q)NiCl (1), which highlights an iodine atom transfer (IAT) mechanism for the reaction involving a Ni-II/Ni-III process. Deuterium labeling experiments indicate reversible cleavage of the benzothiazole C-H bond, and kinetic studies underline a fractional negative rate order with the substrate benzothiazole. The involvement of an alkyl radical during the alkylation is validated by radical clock and external additive experiments. An active intermediate species ((NNNMe2)-N-Q)Ni(benzothiazolyl) (5a) has been isolated and structurally characterized. The complex ((NNNMe2)-N-Q)Ni(benzothiazoly1) (5a) is found to be the resting state of catalyst 1. Kinetic analysis of electronically different intermediates suggests that the step involving the reaction of 5a with alkyl iodide is crucial and a rate-influencing step. DFT calculations strongly support the experimental findings and corroborate an IAT process for the alkylation reaction.

}, issn = {0276-7333}, doi = {10.1021/acs.organomet.8b00025}, author = {Patel, Ulhas N. and Jain, Shailja and Pandey, Dilip K. and Gonnade, Rajesh G. and Vanka, Kumar and Punji, Benudhar} } @article {44521, title = {Membrane-induced organization and dynamics of the N-terminal domain of chemokine receptor CXCR1: insights from atomistic simulations}, journal = {Chemistry and Physics of Lipids}, volume = {210}, year = {2018}, month = {JAN}, pages = {142-148}, abstract = {

The CXC chemokine receptor 1 (CXCR1) is an important member of the G protein-coupled receptor (GPCR) family in which the extracellular N-terminal domain has been implicated in ligand binding and selectivity. The structure of this domain has not yet been elucidated due to its inherent dynamics, but experimental evidence points toward membrane-dependent organization and dynamics. To gain molecular insight into the interaction of the N-terminal domain with the membrane bilayer, we performed a series of microsecond time scale atomistic simulations of the N-terminal domain of CXCR1 in the presence and absence of POPC bilayers. Our results show that the peptide displays a high propensity to adopt a beta-sheet conformation in the presence of the membrane bilayer. The interaction of the peptide with the membrane bilayer was found to be transient in our simulations. Interestingly, a scrambled peptide, containing the same residues in a randomly varying sequence, did not exhibit membrane-modulated structural dynamics. These results suggest that sequence-dependent electrostatics, modulated by the membrane, could play an important role in folding of the N-terminal domain. We believe that our results reinforce the emerging paradigm that cellular membranes could be important modulators of function of G protein-coupled receptors such as CXCR1.

}, keywords = {All atom MD simulations, beta-sheet, CXCR1, Membrane interaction, N-terminal}, issn = {0009-3084}, doi = {10.1016/j.chemphyslip.2017.09.003}, author = {Kharche, Shalmali and Joshi, Manali and Sengupta, Durba and Chattopadhyay, Amitabha} } @article {45408, title = {Metal oxide-promoted hydrodeoxygenation activity of platinum in pt-mox/al2o3 catalysts for green diesel production}, journal = {Energy \& Fuels}, volume = {32}, year = {2018}, month = {DEC}, pages = {12630-12643}, type = {Article}, abstract = {Catalytic deoxygenation of fatty acids into renewable hydrocarbons (green diesel) was investigated over 4Pt-8MO(x)/Al2O3 (M = Mo, Re, W, and Sn) catalysts prepared by the wet impregnation method. Platinum deposited on MOx-modified gamma-Al2O3 showed higher catalytic hydrodeoxygenation activity than that of the "neat" Pt/Al2O3 catalyst. The promotional effect of metal oxides (MOx) decreased in the following order: MoOx > ReOx > WOx > SnOx. Characterization studies revealed that metal oxides affect the textural and electronic properties of Pt. Supported Pt facilitated the reduction of these metal oxides. Synergy and electronic contact between Pt and MOx determined the catalytic deoxygenation performance. Fatty acid conversion increased with increasing metallic nature (decreasing binding energy) of Pt. Hydrodeoxygenation product selectivity correlated with the extent of metal oxide reduction. Among the catalysts, 4Pt-8MoO(x)/Al2O3 had the optimum dispersion, electron-rich Pt, and reduced Mo5+ species, enabling quantitative conversion of oleic acid with 93.5\% octadecane selectivity at a temperature as low as 220 degrees C and 20 bar hydrogen pressure. Metal oxide switched the mechanism of deoxygenation from decarbonylation/decarboxylation to hydrodeoxygenation. Fatty acids, methyl oleate, and vegetable oil were deoxygenated with equal efficiency over this catalyst. Catalysts were reusable in recycling studies only at higher temperature (320 degrees C) and not at lower temperature (260 degrees C), perhaps due to strong sticking of reactant molecules at lower temperature on the catalyst surface than at higher temperature.}, issn = {12630-12643}, doi = {10.1021/acs.energyfuels.8b03588}, author = {Janampelli, Sagar and Darbha, Srinivas} } @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 {45451, title = {Methanol oxidation reaction on Pt based electrocatalysts modified ultramicroelectrode (UME): Novel electrochemical method for monitoring rate of CO adsorption}, journal = {Electrochimica Acta}, volume = {286}, year = {2018}, month = {OCT}, pages = {287-295}, type = {Article}, abstract = {Novel fast scan cyclic voltammetry (FSCV) based method has been developed to study methanol oxidation reaction on Pt nanoparticles (PtNPs) based catalysts. To support the cyclic voltammetry measurements at higher scan rates, micron-sized electrode geometries viz. PtNPs loaded on the single strand of carbon fiber (SSCF) and PtNPs decorated multiwalled carbon nanotubes (MWCNTs), loaded on commercial ultramicroelectrode (UME) have been employed. Deconvolution of the voltammograms obtained during methanol oxidation revealed three major anodic peaks. These peaks have been plausibly attributed to the electron transfer processes viz. methanol oxidation into CO/other intermediates, oxidation of these intermediates into CO2 and adsorption of un-oxidized CO on the catalyst surface. The peaks due to CO adsorption have been elucidated as a function of scan rates. The area under the peak as a function of time has been correlated to the rate of CO adsorption on these catalysts. The average rate of CO adsorption in methanol oxidation at Pt-SSCF and Pt-MWCNTs/UME are estimated to be 1.08 x 10(-8) mol cm(-2) s(-1) and 13.5 x 10(-8) mol cm(-2) s(-1) respectively. This novel method is proposed to generalize to any electrocatalysts of interest. (C) 2018 Published by Elsevier Ltd.}, issn = {0013-4686}, doi = {10.1016/j.electacta.2018.08.014}, author = {Joshi, Vrushali S. and Poudyal, Durgasha C. and Satpati, Ashis K. and Patil, Kashinath R. and Haram, Santosh K.} } @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 {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 {45395, title = {New strategy toward a dual functional nanocatalyst at ambient conditions: influence of the Pd-Co interface in the catalytic activity of Pd@Co core-shell nanoparticles}, journal = { ACS Applied Materials \& Interfaces }, volume = {10}, year = {2018}, month = {DEC }, pages = {41268-41278}, type = {Article}, abstract = {

Bimetallic nanostructures with a combination of noble and nonnoble metals hold promise for improving catalyst activity and selectivity. Here, we report the synthesis of Pd@Co (PC) core shell morphology nanoparticles with three different ratios of palladium (Pd) and cobalt (Co), and a possibility to fine tune the ratio of core and shell thickness. PC exhibits superior and selective hydrogenation as well as oxidation catalytic activity at ambient or near-ambient conditions. Various characterization techniques have been employed to confirm the core shell morphology. Without any pre-treatment or activation, fresh catalysts with different Pd to Co ratios, that is, 2:1, 1:1, and 1:2, were subjected to olefin (phenylacetylene) hydrogenation and oxidation (styrene to styrene oxide) reaction. The catalytic activity results demonstrate that the 1:1 ratio of Pd/Co is the most active composition for controlled and stepwise reduction of phenyl acetylene to styrene and then to ethyl benzene; 1:1 Pd/Co shows 100\% styrene conversion in 30 min. with an order of magnitude higher turnover frequency than other catalysts. The 1:1 PC ratio is also the most active composition for selective oxidation of styrene to styrene oxide. NAPXPS (near-ambient pressure XPS) results show that the active sites for catalytic hydrogenation and oxidation reaction are Co and Co3+, respectively. However, the superior catalytic performance can be attributed to Co (for reduction) or Co3+ (for oxidation), and the Pd Co interface plays a critical role in stabilizing the required functional character. NAPXPS results confirm that the superior catalytic performance can be attributed not only to Co or Co3+, but also to the Pd Co interface. The electronic effect and synergism between Co and Pd helps Co to stabilize in different oxidation states depending on the reaction conditions, and making it a dual functional catalyst.

}, issn = {1944-8244}, doi = {10.1021/acsami.8b12940}, author = {Jain, Ruchi and Gopinath, Chinnakonda S.} } @article {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 {44363, title = {Nucleic aptamer modified porous reduced graphene oxide/MoS2 based electrodes for viral detection: application to human papillomavirus (HPV)}, journal = {Sensors and Actuators B-Chemical}, volume = {262}, year = {2018}, month = {JUN}, pages = {991-1000}, type = {Article}, abstract = {Next to graphene nanomaterials, molybdenum disulfide (MoS2) offers large surface area that can enhance its biosensing performance. In this work, we investigate the performance of glassy carbon (GC) electrodes modified successively with porous reduced graphene oxide (prGO) and molybdenum sulfide (MoS2) for the sensitive and selective detection of the L1-major capsid protein of human papilloma virus (HPV). Owing to the difficulties to perform serological assays and HPV culture efficiently, tools based on molecular recognition are becoming of great importance. We developed here an electrochemical sensor for HPV upon covalent functionalization of the electrode with an aptamer Sc5-c3, a RNA aptamer targeted against the HPV-16 L1 protein. Using differential pulse voltammetry (DPV) and an optimized sensor interface, a linear relationship between the peak current density of a redox couple such as [Fe(CN)6]4- and the concentration of HPV-16 L1 proteins in the range of 0.2-2 ng mL(-1) (3.5 pM-35.3 pM) could be reached with a detection limit of 0.1 ng mL(-1) (1.75 pM). Cross-reactivity studies demonstrated high selectivity over potential interfering species such as HPV-16 E6, opening new opportunities of the developed concept for the development of point of care devices. (C) 2018 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.snb.2018.02.065}, author = {Chekin, Fereshteh and Bagga, Komal and Subramanian, Palaniappan and Jijie, Roxana and Singh, Santosh K. and Kurungot, Sreekumar and Boukherroub, Rabah and Szunerits, Sabine} } @article {44539, title = {One pot synthesis and biological evaluation of some new pyridine-3,5-dicarbonitrile derivatives}, journal = {ChemistrySelect }, volume = {3}, year = {2018}, month = {MAR}, pages = {3374-3378}, abstract = {

We have developed eco-friendly route for the synthesis of title compounds by using simple compounds like aromatic aldehydes, malononitrile, 4-bromothiophenol and NaHCO3. In continuation to this, a series of pyridine-3,5-dicarbonitriles were synthesized with excellent yields and assessed for their invitro antitubercular and antimicrobial activity. The results of the antimicrobial study showed potent antimicrobial activity as compared to the standard drugs (Chloramphenicol and Griseofulvin). It was noticed that the presence of electron donating groups significantly increases the antibacterial activity of the newly synthesized compounds. The title compounds further evaluated for antitubercular activity and from the promising results, they were found to possess significant biological activity against M. tuberculosis.

}, keywords = {3, 4-Arylpyridine, 5-dicarbonitriles, Antimicrobial, Antitubercular, Catalyst}, issn = {2365-6549}, doi = {10.1002/slct.201702116}, author = {Joshi, Hitendra and Shah, Nirav and Sakar, Dhiman and Desai, N. C. and Jadeja, Krunalsinh A.} } @article {45384, title = { Oxidative NHC catalysis for the generation of imidoyl azoliums: synthesis of benzoxazoles }, journal = {Journal of Organic Chemistry }, volume = {83}, year = {2018}, month = { DEC}, pages = {14820-14826}, type = {Article}, abstract = {

N-Fleterocyclic carbene (NHC)-catalyzed intramolecular cyclization of aldimines generated from 2-amino phenols and aromatic aldehydes leading to the synthesis of 2-arylbenzoxazoles under mild conditions is presented. The reaction proceeds via the generation of the aza-Breslow intermediates from imines and NHC, which under oxidative conditions form the key imidoyl azoliums and a subsequent intramolecular cyclization furnishes the product. The reaction tolerates a broad range of functional groups, and the products are formed in generally good yields.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.8b02598}, author = {Patra, Atanu and James, Anjima and Das, Tamal Kanti and Biju, Akkattu T.} } @article {45459, title = {Photocatalysis enabling acceptorless dehydrogenation of diaryl hydrazines at room temperature}, journal = {ACS Catalysis}, volume = {8}, year = {2018}, month = {AUG}, pages = {7727-7733}, type = {Article}, abstract = {

Aromatic azo compounds are privileged structural motifs, and they exhibit a myriad of pharmaceutical as well as industrial applications. Here, we report a catalytic acceptorless dehydrogenation of diarylhydrazine derivatives to access a wide variety of aryl-azo compounds with the removal of molecular hydrogen as the sole byproduct. This distinctive reactivity has been achieved under dual catalytic conditions by merging the visible-light active [Ru(bpy)(3)](2+) as the photoredox catalyst and Co(dmgH)(2)(py)Cl as the proton-reduction catalyst. The reaction proceeds smoothly under very mild and benign conditions and operates at ambient temperature. This dual catalytic approach is highly compatible with many different functional groups and has a broad substrate scope. We have also demonstrated the reversible hydrogen storage and release phenomenon on hydrazobenzene/azobenzene couple to show the utility of these compounds as hydrogen storage materials. Further diversification of azobenzene was shown by a transition metal-catalyzed azo-group-directed ortho-C-H bond functionalization.

}, keywords = {acceptorless dehydrogenation, Azo benzene, dual catalysis, Hydrogen, photoredox catalysis}, issn = {2155-5435}, doi = {10.1021/acscatal.8b01579}, author = {Sahoo, Manoj K. and Saravanakumar, Krishnasamy and Jaiswal, Garima and Balaraman, Ekambaram} } @article {44552, title = {Porous reduced graphene oxide modified electrodes for the analysis of protein aggregation. Part 2: Application to the analysis of calcitonin containing pharmaceutical formulation}, journal = {Electrochimica Acta}, volume = {266}, year = {2018}, month = {MAR }, pages = {364-372}, abstract = {

In part 1 (A. Vasilescu et al., Porous reduced graphene oxide modified electrodes for the analysis of protein aggregation. Part 1: Lysozyme aggregation at pH 2 and 7.4 Electrochem. Acta, 254 (2017) 375 -383) we proposed porous reduced graphene oxide coated glassy carbon electrode (GC/prGO) in combination with differential pulse voltammetry as a new analytical tool for aggregation studies of proteins. Lysozyme was used as a model to follow its aggregation by electrochemical means at pH 2 and pH 7.4, leading to the formation of amyloid and amorphous aggregates, respectively. Part 2 of this work widens the scope of this approach by investigating a biopharmaceutical product, as the aggregation of peptide based drugs affects their therapeutic activity and can induce allergic reactions in patients. The salmon polypeptide calcitonin (sCT) was chosen as an example of a bioactive peptide with limited pharmaceutical potential due to a tendency to form cytotoxic aggregates and amyloid fibrils. For practical applications, screen printed electrodes (SPE) and flexible electrodes (FE) modified with polydiallyldimethylammonium (PDDA) and prGO by using the layer-by-layer deposition technique have been developed for the detection of sCT. The results indicate that these electrodes can differentiate between formation of amyloid aggregates of calcitonin (2 mg mL(-1)) in citrate buffer to no aggregation in acetate buffer. It was further demonstrated that these electrodes are able to analyze a pharmaceutical drug product of low potency, Miacalcic (8.3 mu g mL(-1)), where no aggregation was observed. (C) 2018 Elsevier Ltd. All rights reserved.

}, keywords = {Calcitonin, Disposable electrodes, Electrochemistry, Porous reduced graphene oxide, Protein aggregation}, issn = {0013-4686}, doi = {10.1016/j.electacta.2018.02.038}, author = {Vasilescu, Alina and Ye, Ran and Boulahneche, Samia and Lamraoui, Sabrina and Jijie, Roxana and Medjram, Mohamed Salah and Gaspar, Szilveszter and Singh, Santosh K. and Kurungot, Sreekumar and Melinte, Sorin and Boukherroub, Rabah and Szunerits, Sabine} } @article {45407, title = { Refractive index and vapor-liquid equilibrium data for the binary systems of anisole with xylene isomers at 93.13 kPa}, journal = {Journal of Chemical and Engineering Data}, volume = {63}, year = {2018}, month = {SEP}, pages = {3475-3481}, type = {Article}, abstract = {Phase equilibrium behavior of binary systems of anisole with xylene isomers was analyzed experimentally. An apparatus which establishes equilibrium conditions through continuous circulation of equilibrium vapor condensate and equilibrium liquid was used. Experimental data comprising refractive indices of binary mixtures, equilibrium compositions of vapor and liquid, and equilibrium temperature are reported for all binary systems. Thermodynamic consistency of vapor-liquid equilibrium data was established for using the Herington, Van Ness and absolute mean deviation tests. Interaction parameters of activity coefficient models, Wilson, nonrandom two liquid, and universal quasichemical, which are important for accounting nonideal behavior in process modeling, are also estimated through regression of the respective binary VLE data. Although VLE data shows that binary systems are nonazeotropic in nature, a pinch in the T-x,y plot indicates that separation of all binary system using distillation may need a significant number of stages.}, doi = {10.1021/acs.jced.8b00348}, author = {Yadav, Satyajeet S. and Mali, Nilesh A. and Joshi, Sunil S.} } @article {44556, title = {Regioselective and efficient enzymatic synthesis of antimicrobial andrographolide derivatives}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {28}, year = {2018}, month = {APR }, pages = {1132-1137}, abstract = {

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

}, keywords = {Acylation, Andrographolide, Antimicrobial activity, biocatalysis, Hemolysis, Lipase, Natural product}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2018.01.007}, author = {Patil, Harshal S. and Jadhav, Dipesh D. and Paul, Ajay and Mulani, Fayaj A. and Karegaonkar, Shrikant J. and Thulasiram, Hirekodathakallu V.} } @article {44392, title = {Selective N-acetylation with concurrent S-oxidation of o-amino thiol at ambient conditions over Ce doped ZnO composite nanocrystallites}, journal = {Molecular Catalysis}, volume = {450}, year = {2018}, month = {MAY}, pages = {19-28}, abstract = {The oxidative S-S coupling of thiol to disulfide is an imperative chemical transformation in the domain of biological processes and also finds numerous chemical applications. The CeO2 and ZnO are significant catalysts for oxidation of thiol to disulfide and N-acetylation of amines respectively. Dithiobis(phenylene)bis(benzyldeneimine) moiety containing N-acetyl and disulfide functional groups is a potential antimicrobial agent with Leishmanicidal and antihyperlipidemic activities. Herein, we report a synchronized catalytic application of Ce doped ZnO (Ce-ZnO) and CeO2-Ce-ZnO composites for selective synthesis of Dithiobis(phenylene)bis(benzyldeneimine) from o-amino thiol. The Ce-ZnO samples were synthesized by simple co precipitation method by calcination of hydroxide precursors at 400 degrees C to get 0-10\% Ce-ZnO nanocrystallites. The formation of CeO2-Ce-ZnO composite material was observed beyond 1.5\% Ce concentration. The synthesized materials were well characterized by IR, XRD, DRS spectroscopy and SEM-EDS analysis. The application of Ce doped ZnO as an efficient catalyst towards the selective N-acetylation and concurrent S-oxidation of o-amino thiol to afford Dithiobis(phenylene)bis(benzyldeneimine) at ambient temperature in acetonitrile was deliberated. Among all screened catalysts, the maximum selectivity was found for 7.5\% Ce-ZnO as CeO2-Ce-ZnO composite catalyst. Lewis acidic property of catalyst supported probable mechanism for achieved dual transformations. Also, the 7.5\% Ce-ZnO catalyst has demonstrated a versatile S-S coupling ability for variety of thiol substrates with excellent stability.}, doi = {10.1016/j.mcat.2018.03.007}, author = {Jagtap, Rohidas and Sakate, Sachin and Pardeshi, Satish} } @article {44639, title = {Selective oxidation of cyclohexane to cyclohexanone using chromium oxide supported mesoporous MCM-41 nanospheres: probing the nature of catalytically active chromium sites}, journal = {ChemCatChem}, volume = {10}, year = {2018}, month = {AUG}, pages = {3291-3298}, abstract = {

Highly dispersed chromium oxide supported mesoporous MCM-41 nanosphere catalysts have been synthesized using a simple wet impregnation method. This work is devoted to a systematic study to reveal the active Cr sites in chromium oxide supported MCM-41 nanosphere catalysts for the selective oxidation of cyclohexane to cyclohexanone. To probe the nature of the active species, we synthesized 0.5-10wt\% Cr loaded catalysts and characterized them by using XRD, UV/Vis spectroscopy, Raman spectroscopy, X-ray photoelectron spectroscopy, extended X-ray absorption fine structure analysis, X-ray absorption near edge structure analysis, N-2 sorption analysis, FTIR spectroscopy, (SiNMR)-Si-29 spectroscopy, SEM, and TEM. The liquid-phase oxidation of cyclohexane to cyclohexanone (99\% selectivity) was performed under mild reaction conditions, and the results reveal clearly that the 5wt\% Cr loaded catalyst was optimum for the reaction. The initial composition of isolated Cr3+ species in the catalyst is the major factor that influences the enhanced activity for cyclohexane oxidation.

}, keywords = {chromium, heterogeneous catalysis, Nanostructures, Oxidation, supported catalysts}, issn = {1867-3880}, doi = {10.1002/cctc.201800309}, author = {Betsy, Kurisingal J. and Nayak, Chandrani and Lazar, Anish and Krishnan, Athira and Bhattacharyya, Dibyendu and Jha, Shambhu N. and Vinod, Chathakudath P.} } @article {44362, title = {Sensitive electrochemical detection of cardiac troponin I in serum and saliva by nitrogen-doped porous reduced graphene oxide electrode}, journal = {Sensors and Actuators B-Chemical}, volume = {262}, year = {2018}, month = {JUN}, pages = {180-187}, type = {Article}, abstract = {Cardiovascular diseases pose one of the highest mortality risks among all diseases in developed countries, steadily increasing the burden on the health systems. Early diagnosis of cardiovascular diseases has consequently become highly important to decrease mortality and to use more adapted therapeutic decisions. We demonstrate here the utility of nitrogen-doped reduced graphene oxide (N-prGO) for detecting and quantifying of cardiac troponin I (cTnI), a key human cardiac protein biomarker, under physiologically relevant conditions. Non-covalent modification of N-prGO by 1-pyrenecarboxylic acid (py-COOH) and poly(ethylene glycol) modified pyrene (py-PEG) ligands allowed the covalent integration of Tro4 aptamer, known for its high selectivity towards cTnI. Using differential pulse voltammetry (DPV), a label-free electrochemical sensor for cTnI for concentrations down to 1 pgmL(-1) in human serum could be obtained. This sensitive detection arises from the integration of a porous nanomaterial with excellent electrochemical properties being easily amendable to site-specific surface modification. (C) 2018 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.snb.2018.01.215}, author = {Chekin, Fereshteh and Vasilescu, Alina and Jijie, Roxana and Singh, Santosh K. and Kurungot, Sreekumar and Iancu, Madalina and Badea, Gabriela and Boukherroub, Rabah and Szunerits, Sabine} } @article {44569, title = {Silicon oxidation by NAPPES: From dangling bonds to oxygen islands to 2D SiOx layer to the onset of bulk SiO2 formation}, journal = {Journal of Physical Chemistry C}, volume = {122}, year = {2018}, month = {MAR }, pages = {4331-4338}, abstract = {

Valence band and core level photoelectron spectral measurements at near-ambient pressures (NAP; up to 0.5 mbar) were made in the presence of molecular oxygen to explore the various oxidation stages of silicon surfaces. Dangling bonds feature observed on clean Si-surfaces in the valence band at ultrahigh vacuum decreases dramatically due to oxygen adsorption between ambient temperature and up to 400 K at 0.1 mbar of O-2 pressure. The adsorption of oxygen on dangling bonds appears to be localized as islands; this reflects in the surface heterogeneous character and also responsible for the broadening in the oxygen gas phase vibrational features. This is further supported by an increase in the work function and can be correlated to the presence of Hofer (molecular) precursor. When the temperature was increased to 500 K, molecular precursor species dissociates to form Si-=-0 species. This is fully supported by the change in the Si work function as well as from the observation of oxidized Si species from Si 2p core level spectra. At \>= 600 K, the Si-=-0 species dissociates to form a uniform 2D oxide layer on the silicon surface, which is characterized by the reappearance of sharp vibration features for gas-phase O-2 molecules. This layer is also quite stable up to 800 K and without any further oxidation in the bulk. On increasing the temperature to 850 K at 0.2 mbar oxygen pressure, bulk Si oxidation begins and the work function increases drastically by 1 eV. An angle-dependent Si 2p spectra recorded map out the presence of elemental Si to Si4+ from bulk to the surface, respectively. A simple model is proposed to show the various stage of silicon oxidation. A continuous change in the work function and electronic states observed due to gas-lattice (O-2-Si) interaction indicates the implications for surface-dependent phenomena, such as heterogeneous catalysis, electrochemistry, 2D layered materials.

}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.7b11956}, author = {Ghosalya, Manoj Kumar and Jain, Ruchi and Reddy, Kasala Prabhakar and Gopinath, Chinnakonda S.} } @article {44618, title = {Specific stereoisomeric conformations determine the drug potency of cladosporin scaffold against malarial parasite}, journal = {Journal of Medicinal Chemistry}, volume = {61}, year = {2018}, month = {JUL}, pages = {5664-5678}, abstract = {

The dependence of drug potency on diastereomeric configurations is a key facet. Using a novel general divergent synthetic route for a three-chiral center antimalarial natural product cladosporin, we built its complete library of stereoisomers (cladologs) and assessed their inhibitory potential using parasite-, enzyme-, and structure-based assays. We show that potency is manifest via tetrahyropyran ring conformations that are housed in the ribose binding pocket of parasite lysyl tRNA synthetase (KRS). Strikingly, drug potency between top and worst enantiomers varied 500-fold, and structures of KRS-cladolog complexes reveal that alterations at C3 and C10 are detrimental to drug potency whereas changes at C3 are sensed by rotameric flipping of glutamate 332. Given that scores of antimalarial and anti-infective drugs contain chiral centers, this work provides a new foundation for focusing on inhibitor stereochemistry as a facet of antimicrobial drug development.

}, issn = {0022-2623}, doi = {10.1021/acs.jmedchem.8b00565}, author = {Das, Pronay and Babbar, Palak and Malhotra, Nipun and Sharma, Manmohan and Jachak, Goraknath R. and Gonnade, Rajesh G. and Shanmugam, Dhanasekaran and Harlos, Karl and Yogavel, Manickam and Sharma, Amit and Reddy, D. Srinivasa} } @article {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 {44360, title = {Structural and magnetic properties of La2Ni1-xCoxMnO6 compounds}, journal = {Materials Research Bulletin}, volume = {102}, year = {2018}, month = {JUN}, pages = {248-256}, type = {Article}, abstract = {Single phase monoclinic La2Ni1-xMnO6 (x = 0.2, 0.4, 0.8) compounds, henceforth, referred as LNCxMO (x = 0.2, 0.4, 0.8) have been prepared by Sol-gel technique. The structural study and redox titration suggest that the samples are both La and O deficient. The generated atomic models using Rietveld refined structural parameters show octahedral distortion In the double perovskite structure. X-ray photoelectron spectroscopy (XPS) study has been used to determine the predominant valence states of Ni, Mn and Co ions. LNCxMO (x = 0.2, 0.4) are found to be Heisenberg ferromagnets whereas LNC0.8MO is a phase segregated system. In LNC0.4MO and LNO0.8MO, at temperatures above T-c, chi(-1)(T) curve shows the characteristics of Griffiths phase. The study of ac susceptibility and Isothermal remanent magnetization (IRM) discard the possibility of any glassy state at low temperatures. The antiphase boundaries (APBs), antisite disorders (ASDs) and oxygen vacancies play important roles in this system.}, doi = {10.1016/j.materresbull.2018.01.040}, author = {Pramanik, Debabrata and Mukherjee, S. and Dan, Shovan and Nandy, A. and Pradhan, S. K. and Dasgupta, Papri and Poddar, Asok and Mukherjee, Manabendra and Manjunath, B. and Joy, P. A.} } @article {45523, title = {Structural characterization and magnetic properties of undoped and copper-doped cobalt ferrite nanoparticles prepared by the octanoate coprecipitation route at very low dopant concentrations}, journal = {RSC Advances}, volume = {8}, year = {2018}, month = {NOV}, pages = {38621-38630}, abstract = {Nanoparticles of undoped and copper-doped cobalt ferrite Co1-xCuxFe2O4 at very low dopant concentrations (x = 0; 0.02; 0.04; 0.06; 0.08) were successfully synthesized by pyrolysis of the corresponding hetero metal octanoate precursors obtained via coprecipitation using the octanoate ligand as precipitating agent. The precursors were then characterized by FTIR, ICP-AES and TG-DTA analyses and the results reveal the formation of a copper-cobalt-iron hydroxooctanoate represented by the formula [Co1-xCuxFe2(C8H15O2)6(OH)2{\textperiodcentered}2H2O]. The decomposition products obtained upon pyrolysis in air at 400 {\textdegree}C for 3 h were characterized by FTIR, XRD, SEM, TEM, XPS and VSM analyses. FTIR and XRD analyses showed the formation of a single phase mixed spinel ferrite while TEM analysis showed that the particles have a spherical shape with a mean size of 20 nm and form spherical agglomerates with sizes reaching 500 nm in some cases as the SEM images show. The chemical states of the metallic species in the samples were revealed by XPS to be Cu2+, Co2+ and Fe3+. These results combined with XRD confirmed the mixed spinel structure, Co1-xCuxFe2O4 in which Cu2+ ions substitute Co2+ ions in tetrahedral sites for x lower than 0.06 and in octahedral sites for x between 0.06 and 0.08. Magnetic parameters such as saturation magnetization (Ms), coercivity (Hc), remanent magnetization (Mr), magnetocrystalline anisotropy constant (K) and reduced magnetization (Mr/Ms), obtained from magnetic hysteresis loops measured at room temperature, are in agreement with this mixed spinel structure and also indicate that these materials are ferromagnetic and could be good candidates for applications in biomedicine and in microwave devices. }, author = {Kamta Tedjieukeng, H.M. and Tsobnang, P.K. and Fomekong, R.L. and Etape, E.P. and Joy, P.A. and Delcorte, A. and Lambi, J.N.} } @article {44561, title = {Structural elucidation of the binary mixtures of [emim][bf4] and [bmim][bf4] in ethyl-substituted solvents by isothermal titration calorimeter.}, journal = {ChemistrySelect}, volume = {3}, year = {2018}, month = {JUN }, pages = {5792-5800}, type = {Journal Article}, abstract = {In order to address the issue whether both ionic liquids and solvents influence the enthalpy of their solutions, highly accurate excess partial molar enthalpy, urn:x-wiley:23656549:media:slct201800976:slct201800976-math-0001 values have been measured using Isothermal Titration Calorimeter (ITC). Therefore, thermodynamic behavior has been observed in the mixtures containing ionic liquids. It essentially depends on the molecular structure of the constituents of the mixture. The hydrogen bonding between ionic liquids and ethyl-substituted solvents (2-ethoxyethanol, ethylene glycol, diethylamine, ethyl acetate and N,N- diethylacetamide) may lead to strong ion-solvent interactions. In the present study, an effort has been made to quantify various interactions between ionic liquid and solvent, based on the urn:x-wiley:23656549:media:slct201800976:slct201800976-math-0002 values. Linear solvation free relation shows dependence of limiting excess partial molar enthalpies, urn:x-wiley:23656549:media:slct201800976:slct201800976-math-0003 upon the solvent properties. Structural orientation of solvent molecules and ionic liquids also described by the urn:x-wiley:23656549:media:slct201800976:slct201800976-math-0004 values. The ion-ion, ion-solvent interactions have also been investigated in terms of the enthalpic interaction parameters, urn:x-wiley:23656549:media:slct201800976:slct201800976-math-0005 and relative apparent molar enthalpy, φL of ionic liquid-ethyl-substituted solvent systems.}, issn = {23656549}, doi = {10.1002/slct.201800976}, author = {Jain, Preeti}, editor = {Kumar, Anil} } @article {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 {44518, title = {Sustainability assessment of brick work for low-cost housing: a comparison between waste based bricks and burnt clay bricks}, journal = {Sustainable Cities and Society}, volume = {37}, year = {2018}, month = {FEB }, pages = {396-406}, type = {Journal Article}, abstract = {Manufacturing of bricks, using clay or fly ash, is one of the major contributors to greenhouse gas emissions as their manufacturing involves utilization of coal and cement. To overcome this limitation, alternative construction materials are developed by author using industrial and agro wastes like cotton mill waste, recycled paper mill waste, and rice husk ash. This work aims at performing a sustainability assessment of burnt clay bricks and bricks made of industrial and agro wastes used for brickwork in a low-cost house. The criteria considered for the assessment are economic, environmental, social, and technical aspects for manufacture of bricks and use of different bricks for brickwork. For the evaluation of environmental criterion, a life cycle assessment (LCA) tool is used. Overall sustainability index (SI) is calculated for alternatives based on the various criteria using MIVES approach. The relative SIs of clay and fly ash bricks, were 0.25 and 0.26, respectively. Overall, bricks made of industrial and agro wastes are found more sustainable with the highest SI for cotton waste bricks (0.94). Sensitivity analysis also confirmed that brickwork from waste based bricks is more sustainable compared to brickwork made from clay brick or fly ash brick.}, keywords = {Life cycle assessment, Low cost housing, Multicriteria decision, Sustainability index, Sustainable construction material}, issn = {22106707}, doi = {10.1016/j.scs.2017.11.025}, author = {Joglekar, S. N.}, editor = {Kharkar, R. A.} } @article {44498, title = {Synthesis, biological evaluation, and molecular docking study of pyridine clubbed 1,3,4-oxadiazoles as potential antituberculars}, journal = {Synthetic Communications}, volume = {48}, year = {2018}, month = {JAN}, pages = {524-540}, type = {Journal Article}, abstract = {

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

}, keywords = {antibacterial activity, antituberculosis activity, cytotoxicity activity}, issn = {397911}, doi = {10.1080/00397911.2017.1410892}, author = {Desai, N. C.}, editor = {Trivedi, Amit} } @article {44506, title = {Synthesis of biomass waste derived activated carbon-NBR composites for automobile application}, journal = {Chemistry and Chemical Technology}, volume = {12}, year = {2018}, pages = {236-243}, type = {Journal Article}, abstract = {

This paper reports on usability of activated carbon obtained from areca nut shell, coconut shell, and coconut leaves as a filler to prepare NBR based composite for automobile based application. The carbon was activated by phosphoric acid (H3PO4) as dehydrating agent. The stoichiometric ratio of biomass and phosphoric acid was found to be 3:1 for the batch size of 300 g. As compared to commercially available carbon filler, the activated carbon derived from biomass waste responded better to the petrol swelling test. Among three biomass waste sources, namely, areca nut shell, coconut shell, and coconut leaves, activated carbon derived from coconut shell was appeared to be the best for percent swelling and percent deviation in hardness. The results obtained are confirmed by proximate analysis.

}, keywords = {activated carbon, composites, hardness, NBR, Phosphoric acid}, issn = {19964196}, doi = {10.23939/chcht12.02.236}, author = {Jadhav, A. and Mohanraj, G.T. and Gokarn, A. and Mayadevi, S.} } @article {44660, title = {Synthesis of ecofriendly fluorescent carbon dots and their biomedical and environmental applications}, journal = {Materials Technology}, volume = {33}, year = {2018}, month = {JAN}, pages = {672-680}, abstract = {

Green Synthesis of nanoparticles is an emerging field with enormous advantages over conventional synthesis methods. Herein we have reported a green method for the preparation of water soluble polydisperse carbon dots (c-dots) from Cocos nucifera frond pinnae by a modified version of the {\textquoteleft}single step hydrothermal carbonization{\textquoteright}. C-dots having blue emission were obtained with this method and we further evaluated the effect of metal ions interactions on c-dots, as a sharp decrease in photoluminescence was observed. The synthesized c-dots were found bioactive against B.subtilis, M. smegmatis and S. aureus as determined by the well diffusion assay. We also explored nanotheranostic applications of c-dots as biosensor matrix in DNA hybridization sensor for pancreatic cancer and in bioimaging of cancer cells. This study demonstrated that c-dots can be explored for numerous biomedical and environmental applications in a variety of fields owing to the cost effective synthesis, biocompatibility and excellent physico-chemical properties.

}, keywords = {Carbon dots, differential pulse voltammetry, DNA hybridization sensor, green synthesis, Pancreatic Cancer}, issn = {1066-7857}, doi = {10.1080/10667857.2018.1492683}, author = {Joshi, Preeti Nigam and Mathias, Anjelica and Mishra, Abhishek} } @article {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 {45454, title = {Thermal conductivity studies on magnetite nanofluids coated with short-chain and long-chain fatty acid surfactants}, journal = {Bulletin of Materials Science}, volume = {41}, year = {2018}, month = {OCT}, type = {Article}, abstract = {The effect of the length of surfactant molecules on the surface of the nanoparticles on the thermal conductivity of nanofluids is studied. Magnetite (Fe3O4) nanoparticles of comparable sizes are stabilized with short-chain capric acid (C9H19COOH) and long-chain stearic acid (C17H35COOH) molecules. Thermal conductivity of the two surfactant-coated magnetite nanoparticles dispersed in toluene is measured as a function of the concentration of the particles in the fluids and in the presence of a magnetic field. Studies showed that the critical concentration for thermal conductivity enhancement is lower for stearic-acid-coated fluid as compared with the capric-acid-coated fluid. Comparable enhancement in the thermal conductivity is observed at higher concentrations of the particles. Relatively larger enhancement in the thermal conductivity is observed for the capric-acid-coated fluid in a magnetic field. The difference in the enhancement in the thermal conductivity, depending on the chain length of the surfactant, is explained in terms of the inter-particle magnetic interactions and formation of clusters.}, issn = { 0250-4707}, doi = {10.1007/s12034-018-1638-7}, author = {Lenin, R. and Dadwal, A. and Joy, P. A.} } @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 {44463, title = {Tripeptides derived from reactive centre loop of potato type II protease inhibitors preferentially inhibit midgut proteases of Helicoverpa armigera}, journal = {Insect Biochemistry and Molecular Biology }, volume = {95}, year = {2018}, month = {APR }, pages = {17-25}, type = {Journal Article}, abstract = {

Potato type II protease inhibitors (Pin-II PIs) impede the growth of lepidopteran insects by inhibiting serine protease-like enzymes in the larval gut. The three amino acid reactive centre loop (RCL) of these proteinaceous inhibitors is crucial for protease binding and is conserved across the Pin-II family. However, the molecular mechanism and inhibitory potential of the RCL tripeptides in isolation of the native protein has remained elusive. In this study, six peptides corresponding to the RCLs of the predominant Pin-II PIs were identified, synthesized and evaluated for in vitro and in vivo inhibitory activity against serine proteases of the polyphagous insect, Helicoverpa armigera. RCL peptides with sequences PRN, PRY and TRE were found to be potent inhibitors that adversely affected the growth and development of H. armigera. The binding mechanism and differential affinity of the RCL peptides with serine proteases was delineated by crystal structures of complexes of the RCL peptides with trypsin. Residues P1 and P2 of the inhibitors play a crucial role in the interaction and specificity of these inhibitors. Important features of RCL peptides like higher inhibition of insect proteases, enhanced efficacy at alkaline gut pH, longer retention and high stability in insect gut make them suitable molecules for the development of sustainable pest management strategies for crop protection.

}, keywords = {Helicoverpa armigera, Protease, protease inhibitor, Reactive centre loop peptides}, issn = {9651748}, doi = {10.1016/j.ibmb.2018.02.001}, author = {Saikhedkar, Nidhi S. and Joshi, Rakesh S. and Bhoite, Ashwini S. and Mohandasan, Radhika and Yadav, Amit Kumar and Giri, Ashok P.} } @article {44384, title = {Unravelling the nucleophilicity of buten tides for 1,6-conjugate addition to p-quinone methides: a direct access to diversely substituted butenolide-derived diarylmethanes}, journal = {Organic Letters}, volume = {20}, year = {2018}, month = {MAY}, pages = {2787-2791}, abstract = {A Lewis acid catalyzed regioselective C-C bond is constructed through beta-addition of deconjugated butenolides with p-quinone methides in a 1,6-conjugate addition manner. Interestingly, Lewis acid catalyzed vinylogous Mukaiyama-Michael reaction of silyloxyfurans with p-QMs proceeds selectively through the alpha or gamma position exclusively. The reaction is mild with broad substrate scope, thus allowing easy access to a wide range of bis-arylated alpha-/beta-/gamma-substituted butenolides.}, doi = {10.1021/acs.orglett.8b00745}, author = {Sharma, Brijesh M. and Shinde, Dinesh R. and Jain, Ruchi and Begari, Eeshwaraiah and Satbhaiya, Shruti and Gonnade, Rajesh G. and Kumar, Pradeep} } @article {45503, title = {Vapour{\textendash}liquid equilibrium study of binary mixtures of aniline with isopropanol, n -butanol and ethylene glycol at the local atmospheric pressure}, journal = {Indian Chemical Engineer}, year = {2018}, month = {OCT}, type = {Article}, abstract = {The present work analyses the vapour{\textendash}liquid equilibrium (VLE) behaviour of the binary systems of aniline with isopropanol, n-butanol and ethylene glycol. The isobaric VLE data have been generated at the local atmospheric pressure of 96.15 kPa for all the binary systems of aniline. A dynamic type vapour{\textendash}liquid circulating VLE still was used for generating the data. Calibration curves were generated using mole fraction and refractive index data for all pairs for composition measurement. The VLE data, generated in T-x,y form for all pairs, were found thermodynamically consistent through the Herington area test and the mean absolute deviation test. Activity coefficient models, Wilson, NRTL and UNIQUAC, were fitted to the data to estimate binary interaction parameters using an objective function of minimising the deviation between the experimental and the calculated total pressure and vapour composition. The experimental data were compared with the model predictions with the estimated parameters and the model predictions were found appropriate. The binary system of aniline and ethylene glycol was found to exhibit azeotropic behaviour at 0.61 mole fraction aniline and 445.1 K.}, doi = {10.1080/00194506.2018.1529634}, author = {Mali, P.K. and Mali, N.A. and Yadav, S.S. and Joshi, S.S.} } @article {44210, title = {X-ray crystal structures and anti-breast cancer property of 3-tert-butoxycarbonyl-2-arylthiazolidine-4-carboxylic acids}, journal = {New Journal of Chemistry}, volume = {42}, year = {2018}, month = {JAN}, pages = {1078-1086}, type = {Article}, abstract = {

Diastereomeric {\textquoteleft}2RS, 4R{\textquoteright}-2-arylthiazolidine-4-carboxylic acids (ATCAs) were synthesized and their resolution to chiraly pure N-BOC derivatives was attempted by column chromatography. The absolute stereochemistry of the resolved compounds was ascertained by X-ray single crystal structures. Further application of the synthesized compounds was studied for their in vitro anti-breast cancer activity against MCF7 cell line using DOX as a standard by MTT assay method. Cell morphology analysis was carried out by fluorescence microscopy. The compounds containing {\textquoteleft}2S{\textquoteright} absolute configuration in thiazolidine ring and presence of 2-NO2, 2,6-Cl groups on {\textquoteleft}2R{\textquoteright}-aryl substituent showed significant antibreast cancer activity where some of the compounds were found to be more active than DOX in terms of induced apoptosis mode of MCF7 cell death.

}, issn = {1144-0546}, doi = {10.1039/c7nj02961f}, author = {Jagtap, Rohidas M. and Thorat, Shridhar H. and Gonnade, Rajesh G. and Khan, Ayesha A. and Pardeshi, Satish K.} } @article {46336, title = {1,6-Conjugate-addition-induced [2+1] annulation of para-quinone methides and pyrazolones: synthesis of bis-spiro compounds with contiguous quaternary spiro-centers}, journal = {Organic Letters}, volume = {21}, year = {2019}, month = {OCT }, pages = {7736-7740}, type = {Article}, abstract = {

A diastereoselective formal 1,6-conjugate-addition-mediated [2 + 1] annulation reaction using p-quinone methides and pyrazolones has been described. The corresponding bis-spiro[cyclohexadienone-cyclopropane-pyrazolone] compounds were obtained in very good yield under mild reaction conditions.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.9b02641}, author = {Kale, Someshwar B. and Jori, Popat K. and Thatikonda, Thanusha and Gonnade, Rajesh G. and Das, Utpal} } @article {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 {46337, title = {Allenoate prenucleophiles: a triply diastereoselective approach to beta-hydroxy esters containing all-carbon alpha-quaternary centers}, journal = {Organic Letters}, volume = {21}, year = {2019}, month = {OCT }, pages = {7952-7955}, type = {Article}, abstract = {

Allenyl esters activated by titanium(IV) underwent additions to a wide range of aldehydes in high regio- and diastereoselectivities leading to products containing an all carbon quaternary center bearing an alpha-vinyl group that was installed with high selectivity for the Z-geometry. An aldol product was also converted to an indanone offering a new route to this important compound class. Product triple diastereoselectivity has been rationalized using a concerted transition-state model.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.9b02930}, author = {Maki, Samantha L. and Maity, Pradip and Dougherty, Shannon and Johns, Jennifer and Lepore, Salvatore D.} } @article {46015, title = {Alternating electric-field-induced assembly of binary mixtures of soft repulsive ionic microgel colloids}, journal = {Journal of Colloid and Interface Science }, volume = {544}, year = {2019}, month = {MAY}, pages = {88-95}, type = {Article}, abstract = {

An external alternating electric field is used to study the assembly of a binary mixture of Poly(N-isopro pylacrylamide-co-acrylic acid) microgels in their swollen form at hydrodynamic size ratio 2:1 under deprotonated state. The AC field experiments were carried out at a fixed frequency of 100 kHz in the fluid regime for three number density ratios 1:3, 1:1 and 3:1 of big-to-small microgels using a confocal microscope. Strings with different types of co-assembly structures such as buckled, ring, flame and sandwich have been observed at low and intermediate field strengths at ratio 1:3, 1:1. In buckled and ring type, one or two small particles sit at the contact of two big particles and in the flame type, small particles arrange like a cone at end of the string. In the sandwich structure, several double small particle layers lie in between big particles. At high field strength, aggregation of strings and a phase separation into individual aggregates of strings from both big and small microgels have been observed. At higher ratio 3:1, the string formation is mostly dominated by big particles. Our experimental results are discussed with the recent simulation and experimental works on AC field induced structures in binary hard sphere mixtures. (C) 2019 Elsevier Inc. All rights reserved.

}, keywords = {assembly, dipolar interactions, Microgels, Soft colloids}, issn = {0021-9797}, doi = {10.1016/j.jcis.2019.02.075}, author = {Jathavedan, Kiran and Bhat, Suresh K. and Mohanty, Priti S.} } @article {46041, title = {Amino acid amide based ionic liquid as an efficient organo-catalyst for solvent-free knoevenagel condensation at room temperature}, journal = {Catalysis Letters}, volume = {149}, year = {2019}, month = {SEP}, pages = {2368-2375}, type = {Article}, abstract = {

Ionic liquids of amino acid amide were synthesized and used as an efficient catalyst for solvent-free Knoevenagel condensation. Synthesized ionic liquids are an environmentally benign, inexpensive, metal free and plays the dual role of solvent as well as an efficient catalyst for Knoevenagel condensation. A wide range of aliphatic, aromatic and heteroaromatic aldehydes easily undergo condensation with malononitrile and ethyl cyanoacetate. The reaction proceeds at room temperature without using any organic solvent and is very fast with good to excellent yield. Additionally, the catalyst is easily separable and recyclable without loss of activity. [GRAPHICS] .

}, keywords = {Acrylonitrile, Amino acid amide, Cyanoacrylate, Ionic liquid, Knoevenagel condensation, Solvent-free}, issn = {1011-372X}, doi = {10.1007/s10562-019-02840-5}, author = {Burate, Pralhad A. and Javle, Balasaheb R. and Desale, Pranjal H. and Kinage, Anil K.} } @article {46167, title = {Au based Ni and Co bimetallic core shell nanocatalysts for room temperature selective decomposition of hydrous hydrazine to hydrogen}, journal = {ChemistrySelect}, volume = {4}, year = {2019}, month = {MAR }, pages = {2734-2740}, type = {Article}, abstract = {

Nickel and Cobalt bimetallic catalysts with Au as core metal has been synthesized and demonstrated for hydrazine decomposition reaction for producing hydrogen. Gold-cobalt and gold nickel bimetallic system belonging to the class of strained structures with high lattice mismatch of approximately 14\% are demonstrated for synergistic effects atypical of monometallic counterparts for the selective decomposition of hydrous hydrazine to H-2 with N-2 as the other product at room temperature.

}, keywords = {(HDR), Au@Co., Au@Ni., Bimetallic, catalyst., core, decomposition, Hydrazine, nanoparticles., reaction, shell}, issn = {2365-6549}, doi = {10.1002/slct.201900483}, author = {Jain, P. and Anila, K. A. and Vinod, C. P.} } @article {45563, title = {Biosynthesized Co-doped TiO2 nanoparticles based anode for lithium-ion battery application and investigating the influence of dopant concentrations on its performance}, journal = {Composites Part B: Engineering}, volume = {167}, year = {2019}, month = {JUN}, pages = {44-50}, type = {Article}, abstract = {TiO2 is a good alternative anode material for lithium-ion battery application because of its incomparable high structural stability and safety during the charge/discharge cycles. However, the low intrinsic conductivity of TiO2 has been a limiting factor affecting its cycling and rate capability performance. Here in this work, we present Co-doped TiO2 nanoparticles based anode with good reversibility, cycling stability and rate capability performance for its envisaged application in lithium-ion battery. The Co-doped TiO2 nanoparticles with different Co concentrations (3\%, 5\%, and 7\%) are synthesized using simple and economic biomediated green approach, wherein TiCl4 and Co precursors are allowed to react in Bengal gram bean extract containing biomolecules which act as natural capping agents to control the size of nanoparticles. Among the pure TiO2 and different Co-doped TiO2 samples, the 7\% Co-doped TiO2 anode show the highest capacity of 167 mAh g-1 (88.3\%) after 100 cycles at the 0.5C current density. The Co-doped TiO2 shows higher and stable coulombic efficiency up to 100 GCD cycles indicating good reversibility. Based on the results, it is expected that the Co-doped TiO2 nanoparticles might be contributing to the enhanced electronic conductivity providing an efficient pathway for fast electron transfer.}, doi = {10.1016/j.compositesb.2018.12.001}, author = {Kashale, A. A. and Rasal, A. S. and Kamble, G. P. and Ingole, V. H. and Dwivedi, P. K. and Rajoba, S. J. and Jadhav, L. D. and Ling, Y. C. and Chang, J. Y. and Ghule, A. V.} } @article {46051, title = {Cadmium sulfide nanostructures: influence of morphology on the photocatalytic degradation of erioglaucine and hydrogen generation}, journal = {Applied Surface Science}, volume = {483}, year = {2019}, month = {JUL}, pages = {696-705}, type = {Article}, abstract = {

Size and shape of inorganic materials are known to have great effects on their physical and chemical properties. Here, for the first time we report the visible light driven photocatalytic degradation of erioglaucine - a stable organic dye molecule in the presence of chemically synthesized nanoscale CdS with 1D (nanorods), 2D (nanosheets) and 3D (hierarchical) morphology. Visible light driven photocatalytic degradation efficiency of both 1D and 3D CdS in the removal of erioglaucine are identical. Surprisingly, with 5 min of sonication, the highly crystalline 3D CdS stacked with many thin nanowires containing numerous active surface sites exhibited fourfold enhanced photodegradation efficiency in comparison to 1D and 2D CdS. Scavenger studies revealed that electrons and superoxide radicals are primary reactive species involved in the photodegradation of erioglaucine, while cyclic photodegradation studies revealed the good stability of 3D CdS against photocorrosion. Further, the photocatalytic hydrogen evolution studies also revealed the excellent activity of 3D CdS in comparison to 1D and 2D CdS. Thus, we find that the morphology indeed influences the photocatalytic activity. These results reveal that 3D CdS nanostructures investigated in the present work are efficient photocatalysts that could be fine-tuned for both environmental remediation and hydrogen generation applications.

}, keywords = {Cadmium sulfide, Erioglaucine, Hydrogen evolution, Nanostructures, Photocatalysis}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2019.04.018}, author = {Shenoy, Sulakshana and Jang, Eunyong and Park, Tae Joo and Gopinath, Chinnakonda S. and Sridharan, Kishore} } @article {46295, title = {Can the solvent enhance the rate of chemical reactions through C-H/pi interactions? insights from theory}, journal = {Physical Chemistry Chemical Physics}, volume = {21}, year = {2019}, month = {JUL}, pages = {14821-14831}, type = {Article}, abstract = {

The current computational study with density functional theory (DFT) shows that the rate of chemical reactions can be influenced through non-covalent C-H/p interactions between substrates and the solvent. It is shown that intramolecular carbon-carbon interaction and CO2 activation by a low valent silicon complex are both favourably affected by the explicit presence of the solvent toluene, due to C-H/p interactions between toluene and the silicon complex. Furthermore, ab initio molecular dynamics (AIMD) simulations demonstrate that even if the C-H/p interacting solvent molecule is displaced from the complex, another would quickly take its place, thus maintaining the interaction. Hence, the current work shows how non-covalent interactions between solvent and substrate can enhance the rate of the reaction and expands our understanding of the role and influence of the solvent in effecting important chemical transformations.

}, issn = {1463-9076}, doi = {10.1039/c9cp02646k}, author = {Jain, Shailja and Vanka, Kumar} } @article {46415, title = {C-H functionalization of indoles by 3d transition-metal catalysis}, journal = {Asian Journal of Organic Chemistry}, year = {2019}, month = {DEC}, type = {Review; Early Access}, abstract = {

Over the past decade, the use of 3d transition metal for the regioselective C-H bond functionalization of indoles has significantly increased. Particularly, advances in manganese, iron, cobalt, nickel and copper catalysis have demonstrated the selective C(2)-H and C(3)-H arylation, alkenylation, alkynylation and alkylation to a greater extent. Similarly, the C-O and C-N bond-forming reactions are manifested via direct C-H bond activation by these earth-abundant metals. The emergence of 3d metals in selective functionalization of the biologically relevant indoles and related heteroarenes would make this protocol more attractive for practical applications. Herein, we provide a brief overview of 3d transition metal-catalyzed (mostly Mn, Fe, Co, Ni and Cu) C-H functionalization of indoles and related heteroarenes.

}, keywords = {3d transition metal, C-H functionalization, Indole, indoline}, issn = {2193-5807}, doi = {10.1002/ajoc.201900554}, author = {Jagtap, Rahul A. and Punji, Benudhar} } @article {46351, title = {Cubic palladium nanorattles with solid octahedron gold core for catalysis and alkaline membrane fuel cell applications}, journal = {ChemCatChem}, volume = {11}, year = {2019}, month = {SEP }, pages = {4383-4392}, type = {Article}, abstract = {

Herein, we report the synthesis of palladium nanorattles (Au-Pd NRTs) comprising of a gold octahedral core caged within a thin porous cubic palladium shell. The introduction of core-shell and porous architecture was realized by combining seed mediated and galvanic replacement reaction techniques. Next, we examined the catalytic efficiency of the nanocatalyst in comparison with solid palladium nanocube (Pd-NC) of similar size for the degradation of p-nitrophenol and organic dyes. The rate constant of Au-Pd NRTs was found nearly 12 times higher than the Pd-NCs. Further, we exploited our catalyst for electrochemical oxygen reduction reaction (ORR) and observed its high intrinsic ORR activity. Compared with commercialized Pt/C, the Au-Pd NRT displayed nearly comparable onset and half-wave potential values and excellent durability upon potential cycling. The system level validation in a single-cell mode of alkaline exchange membrane fuel cell also confirms the efficiency of the present catalyst to serve as a potential cathode catalyst for realistic device applications.

}, keywords = {alkaline exchange membrane fuel cell, electrocatalysis, nanorattles, ORR, Pd nanoparticle}, issn = {1867-3880}, doi = {10.1002/cctc.201900741}, author = {Singh, Prem and Sonika and Gangadharan, Pranav K. and Khan, Ziyauddin and Kurungot, Sreekumar and Jaiswal, Amit} } @article {46428, title = {Cyanuric-chloride-mediated synthesis of 2-Aryl-3-tert-butoxycarbonyl-thiazolidine-4-carboxylic acid anilides: mechanistic, X-ray crystal structures and cytotoxicity studies}, journal = {ChemistrySelect}, volume = {4}, year = {2019}, month = {NOV }, pages = {12534-12546}, type = {Article}, abstract = {

The {\textquoteleft}2R,4R{\textquoteright}-2-aryl thiazolidine-4-carboxylic acid anilides (ATCAAs) were synthesized using cyanuric chloride (CC) as a clean and substoichiometric acid-amine coupling agent under optimized reaction conditions. The diesterphenol intermediate based mechanism is proposed and supported by spectral characterization of the intermediate. The single crystal X-ray structures of acid substrate (2R,4R)-3-(tert-butoxycarbonyl)-2-(2-methoxyphenyl)thiazolidine-4-carbox ylic acid (3 a) and anilides (R)-tert-butyl 4-(2-fluorophenylcarbamoyl)thiazolidine-3-carboxylate (4 b), (2R,4R)-tert-butyl 2-(2,6-dichlorophenyl)-4-(m-tolylcarbamoyl)thiazolidine-3-carboxylate (6 b) confirmed the formation of chiral anilides. The synthesized library of anilides [(R)-tert-butyl 4-Aryl thiazolidine-3-carboxylate and (2R,4R)-tert-butyl 2-Aryl-4-Aryl thiazolidine-3-carboxylate] 4 a-6 f was screened for their in vitro anti cancer, neuronal and neuroprotective studies. The anilides 4 b, 4 g, 5 d, 5 h, 6 c and 6 f (where the aryl=2-fluorophenylcarbamoyl, 4-chlorophenylcarbamoyl, 2-methoxyphenyl, 2,5-dichlorophenylcarbamoyl, 2,6-dichlorophenyl, 4-chlorophenylcarbamoyl respectively)were found to be less cytotoxic towards N2 A, SHSY-5Y neuronal cell lines in their differentiated and undifferentiated forms, and also exhibited dose dependant anti-inflammatory properties for a possible identification towards neurodegenerative and inflammatory disorders.

}, keywords = {Acid-amine coupling, Cyanuric chloride, Cytotoxicity, Mechanistic investigations, Single crystal x-ray structure}, issn = {2365-6549}, doi = {10.1002/slct.201903000}, author = {Jagtap, Rohidas M. and Shaikh, Samir R. and Gonnade, Rajesh G. and Raheem, Shabnam and Rizvi, Masood A. and Pardeshi, Satish K.} } @article {45609, title = {C-F bond activation by saturated NHC: mesoionic compound formation and its unprecedented adduct with B(C6F5)3}, journal = {Angewandte Chemie - International Edition}, volume = {58}, year = {2019}, month = {FEB}, pages = {2804-2808}, type = {Article}, abstract = {

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

}, keywords = {C-F activation, carbanions, N-heterocyclic carbenes, structure elucidation, Ylides}, issn = {1433-7851}, doi = {10.1002/anie.201814616}, author = {Pait, M. and Kundu, G. and Tothadi, S. and Karak, S. and Jain, S. and Vanka, K. and Sen, S. S.} } @article {45483, title = {Design and synthesis of aromatic polyesters bearing pendant clickable maleimide groups}, journal = {Journal of Polymer Science Part A-Polymer Chemistry}, volume = {57}, year = {2019}, month = {MAR }, pages = {630-640}, type = {Article}, abstract = {

A bisphenol bearing pendant maleimide group, namely, N-maleimidoethyl-3, 3-bis(4-hydroxyphenyl)-1-isobenzopyrrolidone (PPH-MA) was synthesized starting from phenolphthalein. Aromatic (co)polyesters bearing pendant maleimide groups were synthesized from PPH-MA and aromatic diacid chlorides, namely, isophthaloyl chloride (IPC), terephthaloyl chloride (TPC), and 50:50 mol \% mixture of IPC and TPC by low temperature solution polycondensation technique. Copolyesters were also synthesized by polycondensation of different molar proportions of PPH-MA and bisphenol A with IPC. Inherent viscosities and number-average molecular weights of aromatic (co)polyesters were in the range of 0.52-0.97 dL/g and 20,200-32,800 g/mol, respectively indicating formation of medium to reasonably high-molecular-weight polymers. C-13 NMR spectral analysis of copolyesters revealed the formation of random copolymers. The 10\% weight loss temperature of (co)polyesters was found in the range 470-484 degrees C, indicating their good thermal stability. A selected aromatic polyester bearing pendant maleimide groups was chemically modified via thiol-maleimide Michael addition reaction with two representative thiol compounds, namely, 4-chlorothiophenol and 1-adamantanethiol to yield post-modified polymers in a quantitative manner. Additionally, it was demonstrated that polyester containing pendant maleimide groups could be used to form insoluble crosslinked gel in the presence of a multifunctional thiol crosslinker. (c) 2018 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2019, 57, 630-640

}, keywords = {crosslinking, maleimide group, modification, polyesters, thiol-maleimide}, issn = {0887-624X}, doi = {10.1002/pola.29303}, author = {Nagane, Samadhan S. and Kuhire, Sachin S. and Jadhav, Uday A. and Dhanmane, Sushilkumar A. and Wadgaonkar, Prakash P.} } @article {45612, title = {Designing multifunctional MOFs using an inorganic motif [Cu3(μ3-OH)(μ-Pyz)] as SBU and their properties}, journal = {Crystal Growth \& Design}, volume = {19}, year = {2019}, month = {FEB}, pages = {992-1004}, type = {Article}, abstract = {

In a continuation of our interest in pyrazole-based multifunctional metal-organic frameworks (MOFs), we report herein the construction of a series of Cu(II) MOFs using pyrazole and various 5-substituted isophthalic acids. The central theme is to generate MOFs using the crystal engineering strategy of spacer and node; however, for the node we have introduced a well-known inorganic motif, a [Cu-3(mu(3)-OH)(mu-Pyz)(3)] unit. The appearance of the SBU in five MOFs confirms the robustness and reproducibility of the motif with some interesting structures of various dimensionality ranging from 1D helical and 2D herringbone grid to a complex 3D framework. The deployment of bent acids brings chirality via helicity in the system, as further confirmed by solid-state CD spectra. A detailed investigation of the porous MOFs reveals their importance as zeolite analogues for environment remediation. MOF-1-MOF-5 show some interesting photodegradation of harmful organic dyes. MOF-4 and MOF-5 show impressive selective CO2 gas sorption properties. Furthermore, magnetic properties associated with the trinuclear and hexanuclear SBUs of MOF-1 and MOF-3-MOF-5 have also been investigated.

}, doi = {10.1021/acs.cgd.8b01540}, author = {Akhtar, S. and Bala, S. and De, A. and Das, K. S. and Adhikary, A. and Jyotsna, S. and Poddar, P. and Mondal, R.} } @article {46322, title = {Diastereoselective multi-component tandem condensation: synthesis of 2-amino-4-(2-furanone)-4H-chromene-3-carbonitriles}, journal = {Organic \& Biomolecular Chemistry}, volume = {17}, year = {2019}, month = {OCT}, pages = {8853-8857}, type = {Article}, abstract = {

A general strategy for a one-pot stereoselective synthesis of 2-amino-4-(2-furanone)-4H-chromene-3-carbonitriles by reaction of salicylaldehyde, malononitrile and butenolides via a tandem Knoevenagel/Pinner/vinylogous Michael condensation is presented. The beta,gamma-butenolides gave a syn-selective MCR adduct with a dr up to 11.5 : 1. The mechanistic insight into the MCR was obtained by DFT calculations.

}, issn = {1477-0520}, doi = {10.1039/c9ob01345h}, author = {Gupta, Vijay and Sahu, Debashish and Jain, Shailja and Vanka, Kumar and Singh, Ravi P.} } @article {46342, title = {Differential dynamics underlying the Gln27Glu population variant of the beta(2)-adrenergic receptor}, journal = {Journal of Membrane Biology}, volume = {252}, year = {2019}, month = {OCT}, pages = {499-507}, type = {Article}, abstract = {

The beta (2)-adrenergic receptor (beta (2)AR) is a membrane-bound G-protein-coupled receptor and an important drug target for asthma. Clinical studies report that the population variant Gln27Glu is associated with a differential response to common asthma drugs, such as albuterol, isoproterenol and terbutaline. Interestingly, the 27th amino acid is positioned on the N-terminal region that is the most flexible and consequently the least studied part of the receptor. In this study, we probe the molecular origin of the differential drug binding by performing structural modeling and simulations of the wild-type (Gln) and variant (Glu) receptors followed by ensemble docking with the ligands, albuterol, isoproterenol and terbutaline. In line with clinical studies, the ligands were observed to interact preferentially with the Glu variant. Our results indicate that the Glu residue at the 27th position perturbs the network of electrostatic interactions that connects the N-terminal region to the binding site in the wild-type receptor. As a result, the Glu variant is observed to bind better to the three ligands tested in this study. Our study provides a structural basis to explain the variable drug response associated with the 27th position polymorphism in the beta (2)AR and is a starting step to identify genotype-specific therapeutics.

}, keywords = {beta(2)-Adrenergic receptor, G-protein-coupled receptor, GPCR, molecular dynamics, Pharmacogenetics, SNP}, issn = {0022-2631}, doi = {10.1007/s00232-019-00093-2}, author = {Bhosale, Sumedha and Nikte, V. Siddhanta and Sengupta, Durba and Joshi, Manali} } @article {46318, title = {Dimedone-based rigid organic scaffold for organizing symmetrical helical peptide chains.}, journal = {ChemistrySelect}, volume = {4}, year = {2019}, month = {OCT }, pages = {11518-11522}, type = {Article}, abstract = {

We describe herein design, synthesis and conformational investigations of polypeptides attached on a rigid dimedone template. Two identical peptide chains are attached on a single carbon containing dimedone as a scaffold. Dimedone assists in controlling the secondary interactions through strong intramolecular helical C-12 and C-15 membered bifurcated hydrogen bonding on both the peptide chains along with propagating the helical architecture of the peptide chains attached. There exists a C-6 hydrogen bonding for the single stranded peptides attached to dimedone. Extensive structural investigations involving single crystal X-ray diffraction, solution-state NMR and CD studies of oligopeptides have been undertaken.

}, keywords = {dimedone, Helical, hydrogen bonding, Peptides, template}, issn = {2365-6549}, doi = {10.1002/slct.201903087}, author = {Madica, Krishnaprasad and Lakshmi, Jerripothula K. and Madhu, Suresh and Nadimpally, Krishna Chaitanya and Gonnade, Rajesh and Jagadeesh, Bharatam and Sanjayan, Gangadhar J.} } @article {46190, title = {Direct solar-to-hydrogen generation by quasi-artificial leaf approach: possibly scalable and economical device}, journal = {Journal of Materials Chemistry A}, volume = {7}, year = {2019}, month = {FEB}, pages = {3179-3189}, type = {Article}, abstract = {

Often, a disadvantage in one area of science may become an advantage in another area. In contrast, a successful concept in one area could work for a complementary area of research too. These two philosophies have been successfully used for solar hydrogen generation and they underscore the necessity to connect relevant concepts. We, herein, report a quasi-artificial leaf (QuAL) device in a wireless configuration with a TiO2/Mn-CdS composite and NiCu as a co-catalyst for possibly scalable as well as commercially viable solar hydrogen production under one sun conditions. The device works at no applied potential and generates 10.5 mL h(-1) (16 mL h(-1)) H-2 with Ni5Cu2.5 alloy (Pt) as a co-catalyst, which corresponds to a power conversion efficiency (PCE) of 4.8\% (7.3\%). The significant resemblance of NiCu alloy to Pt in terms of its electrochemical activity and electronic structure makes the device more economical. While the millisecond lifetime of electrons in Mn-CdS is known to help for white light emission, the same factor helps to greatly improve charge utilization for H-2 production in the QuAL device. In contrast, the reabsorption of emitted light is a vexing problem in emission applications; however in the present work, reabsorption is successfully utilized to enhance hydrogen yield. Spectroscopy techniques combined with electrocatalytic studies were employed and the results correlated with solar hydrogen generation, demonstrating this as a new pathway to design better solar-light-harvesting architectures.

}, issn = {2050-7488}, doi = {10.1039/c8ta11307f}, author = {Patra, Kshirodra Kumar and Bharad, Pradnya Arunrao and Jain, Vanshika and Gopinath, Chinnakonda S.} } @article {46197, title = {Direct Z-scheme g-C3N4/FeWO4 nanocomposite for enhanced and selective photocatalytic CO2 reduction under visible light}, journal = {ACS Applied Materials \& Interfaces}, volume = {11}, year = {2019}, month = {FEB }, pages = {6174-6183}, type = {Article}, abstract = {

Photocatalytic reduction of CO2 to renewable solar fuels is considered to be a promising strategy to simultaneously solve both global warming and energy crises. However, development of a superior photocatalytic system with high product selectivity for CO2 reduction under solar light is the prime requisite. Herein, a series of nature-inspired Z-scheme g C3N4/FeWO4 composites are prepared for higher performance and selective CO2 reduction to CO as solar fuel under solar light. The novel direct Z-scheme coupling of the visible light-active FeWO4 nanoparticles with C3N4 nanosheets is seen to exhibit excellent performance for CO production with a rate of 6 mu mol/g/h at an ambient temperature, almost 6 times higher compared to pristine C3N4 and 15 times higher than pristine FeWO4. More importantly, selectivity for CO is 100\% over other carbon products from CO, reduction and more than 90\% over. H-2 products from water splitting. Our results clearly demonstrate that the staggered band structure between FeWO4 and C3N4 reflecting the nature-inspired Z-scheme system not only favors superior spatial separation of the electron hole pair in g-C3N4/FeWO4 but also shows good reusability. The present work provides unprecedented insights for constructing the direct Z-scheme by mimicking the nature for high performance and selective photocatalytic CO2 reduction into solar fuels under solar light.

}, keywords = {C3N4, CO2 reduction, FeWO4, Photocatalysis, solar fuels, Z-scheme}, issn = {1944-8244}, doi = {10.1021/acsami.8b22434}, author = {Bhosale, Reshma and Jain, Srashti and Vinod, Chathakudath Prabhakaran and Kumar, Santosh and Ogale, Satishchandra} } @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 {46274, title = {Dry molten globule-like intermediate during the base-induced unfolding of a multidomain protein (vol 19, pg 20307, 2017)}, journal = {Physical Chemistry Chemical Physics}, volume = {21}, year = {2019}, month = {SEP}, pages = {20499-20499}, type = {Correction}, doi = {10.1039/c9cp90219h}, author = {Acharya, Nirbhik and Mishra, Prajna and Jha, Santosh Kumar} } @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 {45581, title = {Effect of co-substitution of Co2+ and V5+ for Fe3+ on the magnetic properties of CoFe2O4}, journal = {Physica B: Condensed Matter}, volume = {554}, year = {2019}, month = {FEB}, pages = {107-113}, type = {Article}, abstract = {Different chemical compositions in Co1+2xVxFe2-3xO4 (0 <= x <= 0.1) have been synthesized by the conventional solid-state reaction method and processed under identical conditions. The materials are investigated to assess the impact of change in the oxidation states of metal ions on structural and magnetic properties of cobalt ferrite. Rietveld refinement of the X-ray diffraction patterns revealed a single phase nature of all compositions with cubic spinel structure. The cubic lattice parameter was found to decrease non-linearly from 8.393 {\r A} for x = 0 to 8.377 {\r A} for x = 0.1, due to the effect of ionic size and valency of the substituted metal ions. Sintered co-substituted compositions exhibited smaller grains against unsubstituted counterpart, due to low melting point of raw material V2O5. Strong experimental evidence of V substitution for Fe at the tetrahedral sites of the spinel ferrite has been extracted from the Raman spectral analysis. Saturation magnetization (Ms) was observed to decrease from 452 kA/m for x = 0{\textendash}411 kA/m for x = 0.1. Coercivity (Hc) and magnetocrystalline anisotropy (K1) were also found to follow the same trend. Variation of the structural and magnetic parameters is attributed to the changes in the oxidation state of Co from 2 + to 3 + as it is confirmed from the results of XPS analysis.}, doi = {10.1016/j.physb.2018.11.031}, author = {Anantharamaiah, P. N. and Joy, P. A.} } @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 {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 {46138, title = {Efficient broad-band emission from contorted purely corner-shared one dimensional (1D) organic lead halide perovskite}, journal = {Chemistry of Materials}, volume = {31}, year = {2019}, month = {APR }, pages = {2253-2257}, type = {Article}, issn = {0897-4756}, doi = {10.1021/acs.chemmater.9b00069}, author = {Biswas, Anupam and Bakthavatsalam, Rangarajan and Shaikh, Samir R. and Shinde, Aparna and Lohar, Amruta and Jena, Satyam and Gonnade, Rajesh G. and Kundu, Janardan} } @article {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 {46335, title = {Exploring battery-type ZnO/ZnFe2O4 spheres-3D graphene electrodes for supercapacitor applications: advantage of yolk-shell over solid structures}, journal = {ChemElectroChem }, year = {2019}, month = {OCT}, type = {Article; Early Access}, abstract = {

Recently, a ZnO/ZnFe2O4 composite has been reported to be a promising material for energy storage, owing to its large specific capacity and good redox activity. However, due to the inability to accommodate its strong volumetric variations during operation, it fails to retain its capacitance, which remains as a significant hitch. Herein, we present our attempt towards solving this through a binder-free electrode design comprising a porous yolk-shell ZnO/ZnFe2O4 composite matrixed inside a 3D network of graphene, which, in turn, is grown on Ni foam. The design exhibits a four-fold increase in its specific capacitance, yielding 1334 F g(-1) (specific capacity of 370.5 mAh g(-1)) at a current density of 0.5 A g(-1) in comparison to that of the ZnO/ZnFe2O4 electrodes (309 F g(-1) (85.8 mAh g(-1)) at 0.5 A g(-1)) comprising solid metal oxide spheres. The major advantage of the design is the well-defined yolk-shell architecture that provides free space for volume expansion during long cycling processes and channels for ionic transportation; whereas, the conductive 3D graphene network and porous Ni foam facilitate electronic conduction. The availability of free space in yolk-shell sphere electrodes facilitates the capacitance retention of up to 80 \% beyond 5000 cycles at a current density of 1 A g(-1), which is in contrast to the capacitance retained by the solid spheres of only approximately 60 \%. These results directly demonstrate the significant consequence of the yolk-shell architecture-based binder-free design and its promising potential in high-performing supercapacitors and batteries.

}, keywords = {binder-free electrodes, graphene hydrogels, Supercapacitors, volume expansion, yolk-shell spheres}, issn = {2196-0216}, doi = {10.1002/celc.201901269}, author = {Jhajharia, Suman Kumari and Manappadan, Zinoy and Selvaraj, Kaliaperumal} } @article {46092, title = {Facilitator roles of viruses in enhanced insect resistance to biotic stress}, journal = {Current Opinion in Insect Science}, volume = {33}, year = {2019}, month = {JUN}, pages = {111-116}, type = {Review}, abstract = {

Virus-insect interactions are primarily parasitic, yet diverse mutualistic interactions, some of which are symbiogenic, also occur. These viruses can modify insect physiology and behavior so that hosts can gain resistance against various biotic challenges like pathogen and parasites. In the recent past, many insect mutualistic viruses have been reported. Viruses can show symbiogenic interactions with some insects, which have been explored at the molecular level. However, understanding about molecular mechanisms for many of the mutualistic viruses is still enigmatic. Exploration of these interactions and its mechanism can shed light on phenomenon of virus mediated biotic stress resistance in insects.

}, issn = {2214-5745}, doi = {10.1016/j.cois.2019.05.008}, author = {Jagdale, Shounak S. and Joshi, Rakesh S.} } @article {46355, title = {Ferets diameter estimation of activated carbon for effluent treatment application}, journal = {Journal of the Indian Chemical Society}, volume = {96}, year = {2019}, month = {AUG}, pages = {1067-1074}, type = {Article}, abstract = {

In this paper, activated carbon was produced of by chemical activation with phosphoric acid of agricultural wastes such as Arecanut shell of 25 micronmeter at 400 degrees C by slow pyrolysis. The BET surface area and iodine number surface area is calculated and compared. The FTIR spectra show the presence of activated carbon. The TGA revealed, activated carbon is thermally stable at 480 degrees C. The SEM shows the incorporation of activated carbon particles leads to the systematic change in morphology of activated carbon. Surface area plot shows the details of morphological change caused by iodine number surface area. Ferets diameter is estimated to know circularity of the particle. Methylene blue number, acid adsorption value is calculated to know adsorption capacity of the carbon. Thus results proves selection of ferets diameter, activation temperature, and impregnation ratio is important in determining the quality of activated carbon obtained and its use in industrial waste water treatment.

}, keywords = {activated carbon, Arecanut shell, Phosphoric acid, teret diameter}, issn = {0019-4522}, author = {Jadhav, Abhijit and Mohanraj, Govindraj and Gokarn, Ashok and Mayadevi, Susheeladevi} } @article {46423, title = {Fluorescent carbon nanodots for targeted in vitro cancer cell imaging (vol 4, pg 71, 2016)}, journal = {Applied Materials Today}, volume = {17}, year = {2019}, month = {DEC}, pages = {236-240}, type = {Correction}, issn = {2352-9407}, doi = {10.1016/j.apmt.2019.07.014}, author = {Aiyer, Sandhya and Prasad, Rajendra and Kumar, Manoj and Nirvikar, K. and Jain, Bhanprakash and Kushwaha, Omkar S.} } @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 {46199, title = {Folding and aggregation energy landscapes of tethered RRM domains of human TDP-43 are coupled via a metastable molten globule-like oligomer}, journal = {Biochemistry}, volume = {58}, year = {2019}, month = {FEB }, pages = {608-620}, type = {Article}, abstract = {

Stress-induced misfolding and intraneuronal aggregation of the highly conserved nucleic acid binding protein TDP-43 (transactive response DNA binding protein 43 kDa) and its fragments have been implicated in amyotrophic lateral sclerosis and several other neurodegenerative diseases. However, the physicochemical mechanism of its misfolding from the functional folded state is poorly understood. TDP-43 is a four-domain protein and performs the essential nucleic acid binding function with the help of its two tandem RNA recognition motif domains naturally tethered by a linker (called here the tethered RRM domain of TDP-43 or TDP-43(tRRM)). Here, we show that the monomeric native form of TDP-43(tRRM) remains in a pH-dependent and reversible thermodynamic equilibrium with a protonated, nanosized, 40-merit form (the A form). Under the stress-like low-pH condition, the A form becomes predominantly populated. In the A form, protein molecules have restricted dynamics of surface side-chain residues but native-like secondary structure. This self-assembled form possesses a loosely packed core in which the intrinsically disordered and aggregation-prone regions are in the proximity. The A form is metastable and swiftly aggregates into a highly stable amyloid-like protofibrillar form (beta form) mediated by the disorder-to-order transition of intrinsically disordered regions upon small environmental perturbations. Interestingly, the A form and the beta form are not formed when TDP-43(tRRM) is bound to DNA, indicating that the nucleic acid binding regions of the protein participate in their formation. Our results reveal how the energy landscapes of folding and aggregation of TDP-43(tRRM) are coupled by a metastable molten-globule like oligomeric form and modulated by stress-like conditions.

}, issn = {0006-2960}, doi = {10.1021/acs.biochem.8b01013}, author = {Pillai, Meenakshi and Jha, Santosh Kumar} } @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 {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 {45567, title = {Hierarchical K/LTL zeolite as solid base for aqueous phase hydrogenation of xylose to xylitol}, journal = {Microporous and Mesoporous Materials }, volume = {278}, year = {2019}, month = {APR}, pages = {70-80}, type = {Article}, abstract = {Post-synthesis modification by alkali treatment was employed for the synthesis of hierarchical K/LTL zeolites with varying degree of mesoporosity. For the alkali treatment, the concentration of aqueous KOH solution was changed from 0.3 to 2.8 M keeping the quantity per gram of zeolite fixed. The influence of the alkali concentration on the chemical composition, powder XRD crystallinity, morphology, basicity, and the textural properties of resultant hierarchical zeolites was investigated. Variation in the concentration of KOH solution was found to control the degree of preferential desilication with the preserved structural fingerprint of K/LTL zeolite. As a result, the generation of mesoporosity was observed along with 1) the decrease in the Si/Al ratio and percentage relative crystallinity, and 2) an increase in BET surface area and mesopore volume. 27Al MAS-NMR results showed that all the aluminum atoms present in the tetrahedral coordination after alkali treatment, which provides an elegant approach for significantly increasing the basic sites in the hierarchical zeolites. As a heterogeneous catalyst, the hierarchical K/LTL zeolites demonstrated the improved performance in the hydrogenation of xylose to xylitol as compared to the parent K/LTL zeolite. The different process parameters were assessed in order to maximize the hydrogenation activity. Among all the hierarchical zeolites, the enhanced catalytic activity was shown by the hierarchical K/LTL prepared by using 1.5 M KOH solution when it is used along with the 3.5 wt\% platinum loaded γ-Al2O3 catalyst. This optimum activity may be attributed to the higher surface area, accessible basic sites, nano-sized Pt on γ-Al2O3, and the development of substantial intracrystalline mesoporosity for the enhanced molecular diffusion of reactant to and from the hierarchical zeolite with better-preserved crystallinity.}, doi = {10.1016/j.micromeso.2018.11.017}, author = {Tangale N. P. and Niphadkar, P. S. and Joshi, P. N. and Dhepe, P. L.} } @article {46018, title = {Highly efficient Pt-MoOx/ZrO2 catalyst for green diesel production}, journal = {Catalysis Communications}, volume = {125}, year = {2019}, month = {MAY}, pages = {70-76}, type = {Article}, abstract = {

Bimetallic Pt-MoOx supported on ZrO2 exhibits higher catalytic activity than known catalysts for converting fatty acids into green diesel at as low as 200 degrees C. A change in selectivity from decarboxylation/decarbonylation to hydrodeoxygenation and enhancement in the deoxygenation activity of Pt were observed when MoOx was also present in the catalyst composition. In X-ray photoelectron spectra, Pt 4f lines of 4Pt-8MoO(x)/ZrO2 occurred at lower binding energies than those for 4Pt/ZrO2. Part of Mo was reduced from +6 to +5 oxidation state in the presence of Pt. There seems to exist some electronic interaction between the support and metal, making 4Pt-8MoO(x)/ZrO2 a highly efficient and selective deoxygenation catalyst.

}, keywords = {Bimetallic catalyst, Biofuel, Deoxygenation of fatty acids, Green Diesel, Hydrocarbons, Supported platinum catalyst}, issn = {1566-7367}, doi = {10.1016/j.catcom.2019.03.027}, author = {Janampelli, Sagar and Darbha, Srinivas} } @article {46011, title = {Hydrodeoxygenation of vegetable oils and fatty acids over different group VIII metal catalysts for producing biofuels}, journal = {Catalysis Surveys From Asia}, volume = {23}, year = {2019}, month = {JUN}, pages = {90-101}, type = {Article}, abstract = {

Energy security and environment protection are two important aspects of sustainable development. Biofuels are renewable and carbon neutral. They are suitable replacement for conventional fossil derived transport fuels. Their use leads to sustainable development. Among several technological options, catalytic hydrodeoxygenation of vegetable oils leading to diesel-range hydrocarbons is the most attractive approach for producing biofuels. The green diesel, thus produced, could be blended with petro-diesel or used as standalone fuel in the conventional diesel engines. Our research group has been active in developing efficient solid catalysts for hydroprocessing of vegetable oils. This account presents some of our efforts using supported group VIII metals and the importance of electronic contact between metal and support on the catalytic activity and hydrodeoxygenation selectivity in hydroprocessing of vegetable oils.

}, keywords = {biofuels, Catalysis over group VIII metals, Deoxygenation, Hydroprocessing, Renewable diesel}, issn = {1571-1013}, doi = {10.1007/s10563-019-09266-4}, author = {Janampelli, Sagar and Darbha, Srinivas} } @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 {46160, title = {Hydrophobic WO3/SiO2 catalyst for the nitration of aromatics in liquid phase}, journal = {Applied Catalysis A-General}, volume = {574}, year = {2019}, month = {MAR}, pages = {105-113}, type = {Article}, abstract = {

WO3/SiO2 solid acid catalyst synthesized using sol gel method has shown promising activity (up to 65\% conversion) for aromatic nitration in liquid phase using commercial nitric acid (70\%) as nitrating agent without using any sulfuric acid. The water formed during the reaction as well as water from dilute nitric acid (70\%) was removed azeotropically, however due to the hydrophilic nature of the catalyst, some water gets strongly adsorbed on catalyst surface forming a barrier layer between catalyst and organics. This prevents effective adsorption of substrate on catalyst surface for its subsequent reaction. To improve the activity further, the hydrophilic/hydrophobic nature of the catalyst was altered by post modification by grafting with commercial short chain organosilane (Dynasylan 9896). The modified 20\% WO3/SiO2 catalyst when used for o-xylene nitration in liquid phase, showed significant increase in the conversion from 65\% to 80\% under identical reaction conditions. Catalyst characterization revealed decrease in the surface area of 20\% WO3/SiO2 from 356 m(2)/g to 302 m(2)/g after grafting with Dynasylan 9896. The fine dispersion of WO3 particles (2-5 run) on silica support was not affected due to modification. NMR and FTIR study revealed the decrease in surface hydroxyl groups imparting hydrophobicity to the catalyst. Interestingly the total acidic sites of the catalyst remained almost unaltered (0.54 mmol NH3/g) even after modification. Even though, the acidity and other characteristics of the catalyst did not change appreciably, there was a considerable increase in the o-xylene conversion which can be ascribed to the hydrophobic nature of the catalyst.

}, keywords = {Aromatic nitration, grafting, heterogeneous catalysis, Hydrophobic, Sol-gel synthesis}, issn = {0926-860X}, doi = {10.1016/j.apcata.2019.02.002}, author = {Kulal, A. B. and Kasabe, M. M. and Jadhav, P. V. and Dongare, M. K. and Umbarkar, S. B.} } @article {47489, title = {Importance of conserving fragmented forest patches with high diversity of flowering plants in the northern Western Ghats: an example from Maharashtra, India}, journal = {Journal of Threatened Taxa }, volume = {11}, year = {2019}, month = {MAY}, pages = {13833-13849}, type = {Article}, abstract = {The northern Western Ghats (NWG) comprises of a patchy continuum of forests that have been severely fragmented mainly due to anthropogenic activities. We documented tree diversity within a representative fragmented forest patch of the NWG to study the effects of fragmentation on forest structure and composition. The floristic survey was conducted by replicated strip transect sampling method leading to a total sampling area of 0.3ha. A total of 444 individual trees (Girth>10cm) were sampled, which represented 49 tree species belonging to 42 genera and 23 families. Species richness per unit area and tree density were higher than previously reported values from similar forest type in various regions of NWG. These variations, however, could have resulted due to differences in the sampling area, sampling method, and girth classes used across different studies. Nevertheless, various diversity parameters such as N/S ratio, Simpson{\^a}{\texteuro}{\texttrademark}s index, Shannon{\^a}{\texteuro}{\texttrademark}s index, and Fisher{\^a}{\texteuro}{\texttrademark}s {\^I}{\textpm} index were comparable with those reported in previous studies in the Western Ghats. The observed species richness was close to species richness estimates such as abundance-based coverage estimate, Chao-1, and Jackknife estimators. The present study also enumerates 108 species of understory flowering plants, which is provided as a checklist. While access restrictions are imposed in protected areas having high conservation priority, such restrictions are not imposed in non-protected areas, which make them much more vulnerable to anthropogenic activities. Hence, this study recommends that owing to their high diversity, the fragmented forest patches of NWG should also be given high conservation priority.}, doi = {10.11609/jott.3296.11.7.13833-13849}, author = {Kasodekar, Amol and Jadhav, Amol Dilip and Bhagat, Rani and Pawar, Rakesh Mahadev and Gupta, Vidya Shrikant and Kadoo, Narendra} } @article {46291, title = {In vitro and in silico studies on membrane interactions of diverse Capsicum annuum flower gamma-thionin peptides}, journal = {Proteins-Structure Function and Bioinformatics}, year = {2019}, month = {AUG}, type = {Article; Early Access}, abstract = {

Thionins are small, cysteine-rich peptides that play an important role in plant defense, primarily through their interactions with membranes. Eight novel gamma-thionin peptides (CanThio1-8) were isolated from the flower of Capsicum annuum. Sequence analysis revealed that the peptides cluster into three groups. A representative peptide from each group (CanThio1, 2, and 3) was used for experimental characterization. Interestingly, peptides were found to possess some cytotoxic activity against normal human embryonic kidney cell line but higher cytotoxicity against cancer cell line MCF-7. CanThio3 peptide was chosen as a representative peptide to study the molecular mechanism of action on membranes. Microsecond timescale atomistic simulations of CanThio3 were performed in the presence of a POPC (1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine) lipid bilayer. Simulations revealed that CanThio3 interacts with the bilayer and causes lipid thinning in the vicinity. Nonpolar amino acids specific to the alpha-core region of CanThio3 along with nonpolar residues in the gamma-core region are seen to interact with the lipid tails. The differences in the amino acid sequence of CanThio peptides in these regions explain the variability in cytotoxic activities. In summary, our results demonstrate the membrane-mediated activity of a novel series of gamma-thionin peptides from C. annuum.

}, keywords = {Capsicum annuum, Cytotoxicity, gamma-thionin, MD simulations, Membrane}, issn = {0887-3585}, doi = {10.1002/prot.25791}, author = {Nikte, Siddhanta and Gahankari, Apurva and Mulla, Javed and Sengupta, Durba and Joshi, Manali and Tamhane, Vaijayanti} } @article {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 {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.} } @article {45491, title = {Large enhancement in the magnetostriction parameters of the composite of CoFe2O4 and CoFe1.9Ga0.1O4}, journal = {Materials Letters}, volume = {236}, year = {2019}, month = {FEB }, pages = {303-306}, type = {Article}, abstract = {

A new strategy to enhance the magnetostriction parameters of cobalt ferrite (CoFe2O4) is illustrated. A composite comprising of nanocrystalline CoFe2O4 and bulk CoFe(1.9)Ga(0.1)O(4 )powders were mixed together then compacted and sintered at 1450 degrees C for 10 min. For a composite of 70 wt\% CoFe2O4 and 30 wt\% of CoFe(1.9)Ga(0.1)O4, maximum magnetostriction coefficient (lambda(max)) of -350 ppm has been obtained at lower magnetic field which is nearly 20\% and 65\% higher than that obtained for CoFe2O4 and CoFe1.9Ga0.1O4, respectively. Moreover, the composite exhibited higher strain sensitivity [d lambda/dH](max )of -2.6 x 10 (9) A(-1) m against the individual components of the composite. (C) 2018 Published by Elsevier B.V.

}, keywords = {Ceramics, Composite materials, Magnetic materials}, issn = {0167-577X}, doi = {10.1016/j.matlet.2018.10.115}, author = {Anantharamaiah, P. N. and Joy, P. A.} } @article {46074, title = {Magnetic parameters of SrFe12O19 sintered from a mixture of nanocrystalline and micron-sized powders}, journal = {Ceramics International}, volume = {45}, year = {2019}, month = {JUL}, pages = {13592-13596}, type = {Article}, abstract = {

Obtaining higher magnetic parameters is essential for high-power sintered strontium ferrite (SrFe12O19) for various applications. A novel approach has been made to improve the magnetic parameters of sintered strontium ferrite by making self-composites from nano and micron-sized powders. Powders with two different weight ratios (50 wt\% nano:50 wt\% micron and 75 wt\% nano:25 wt\% micron) were mixed together, compacted and sintered at 1200 degrees C for 1 h. For a self-composite of 75 wt\% nano and 25 wt\% micron-sized powders, coercivity (H-c) of 3076 Oe has been obtained, larger than the values for the sintered compacts from the component powders. The present study suggests that the magnetic parameters of sintered SrFe12O19 can be improved by making self-composite comprising of nanocrystalline and micron-sized powders.

}, keywords = {Ceramics, Magnetic materials, microstructures, Self-composites, strontium ferrite}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2019.04.023}, author = {Shashanka, H. M. and Anantharamaiah, P. N. and Joy, P. A.} } @article {46008, title = {Magnetic properties of sintered CoFe2O4-BaTiO3 particulate magnetoelectric composites}, journal = {Ceramics International}, volume = {45}, year = {2019}, month = {JUN}, pages = {12307-12311}, type = {Article}, abstract = {

The magnetic properties of sintered particulate magnetoelectric CoFe2O4 - BaTiO3 composites have been studied. The particulate composites are sintered in the temperature range 1000-1300 degrees C, for a short duration of 10 min. The magnetic transition temperature (T-c) of CoFe2O4 is found to decrease with increasing the sintering temperature and sintering time, as well as on increasing the BaTiO3 content in the composites. Similarly, a reduced saturation magnetization at room temperature, compared to that expected for the CoFe2O4 content, is also observed. Powder X-ray diffraction studies showed the presence of the impurity phase related to the hexagonal ferrite BaFe12O19 in all the composites. Ba2Fe2Ti4O13 is observed as a second impurity phase in the BaTiO3 - rich composites. The present studies suggest that the composition of the piezomagnetic (CoFe2O4) phase in the CoFe2O4 - BaTiO3 magnetoelectric composite is affected during the sintering process.

}, keywords = {composites, magnetic properties, Sintering}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2019.03.145}, author = {Mohan, S. and Joy, P. A.} } @article {46119, title = {Mechanistic insights into enzymatic catalysis by trehalase from the insect gut endosymbiont Enterobacter cloacae}, journal = {FEBS Journal}, volume = {286}, year = {2019}, month = {MAY}, pages = {1700-1716}, type = {Article}, abstract = {

Energy metabolism in the diamondback moth Plutella xylostella is facilitated by trehalase, an enzyme which assists in trehalose hydrolysis, from the predominant gut bacterium Enterobacter cloacae. We report the biochemical and structural characterization of recombinant trehalase from E. cloacae (Px_EclTre). Px_EclTre showed K-M of 1.47 (+/- 0.05) mm, k(cat) of 6254.72 min(-1) and V-max 0.2 (+/- 0.002) mm center dot min(-1) at 55 degrees C and acidic pH. Crystal structures of Px_EclTre were determined in the ligand-free form and bound to the inhibitor Validoxylamine A. The crystal structure of the ligand-free form, unavailable until now for any other bacterial trehalases, enabled us to delineate the conformational changes accompanying ligand binding in trehalases. Multiple salt bridges were identified that potentially facilitated closure of a hood over the substrate-binding site. A cluster of five tryptophans lined the -1 substrate-binding subsite, interacted with crucial active site residues and contributed to both trehalase activity and stability. The importance of these residues in enzyme activity was further validated by mutagenesis studies. Many of these identified residues form part of signature motifs and other conserved sequences in trehalases. The structure analysis thus led to the assignment of the functional role to these conserved residues. This information can be further explored for the design of effective inhibitors against trehalases.

}, keywords = {Enterobacter cloacae, Plutella xylostella, structural analysis, trehalase, validoxylamine A}, issn = {1742-464X}, doi = {10.1111/febs.14760}, author = {Adhav, Anmol and Harne, Shrikant and Bhide, Amey and Giri, Ashok and Gayathri, Pananghat and Joshi, Rakesh} } @article {46327, title = {Methodology of evaluating sustainability index of a biomass processing enterprise: a case study of native cow dung-urine biorefinery}, journal = {Environmental Science and Pollution Research}, year = {2019}, month = {OCT}, type = {Article; Early Access}, abstract = {

Agriculture and its allied sector contribute significantly to the gross domestic product of every country. Several small-scale enterprises engaged in waste biomass processing have been setup recently. Such industrial setups not only help in solving the waste management issues but also play an important role in offering employment at the grass root level generating a significant social impact along with economic advantage to the local entrepreneur. Hence, assessment of such biomass processing enterprise (BPE) based on economic, environment, and social parameters has become necessary. In this paper, a general framework for sustainability assessment is discussed using a case study of cow dung-urine biorefinery as a representative BPE. Real-time data of BPE has been collected for evaluation and a sustainability index (SI) is evaluated using multicriteria decision method. The SI is calculated as per the weightage assigned and value function of the indicator and criteria. The SI for the BPE was observed to be 0.69 for the chosen set of criteria and indicator and weightages. A sensitivity analysis has been performed to check the dependence of the results on the weightages assigned to various criteria and indicators. It was also observed that the results were more sensitive to the indicators having a low value function.

}, keywords = {Indicator analysis, MIVES, Multicriteria decision analysis, Performance evaluation, Sustainability assessment framework}, issn = {0944-1344}, doi = {10.1007/s11356-019-06309-1}, author = {Joglekar, Saurabh N. and Darwai, Vivek and Mandavgane, Sachin A. and Kulkarni, Bhaskar D.} } @article {46313, title = {Mitochondrial cytochrome oxidase C subunit III (cox3) gene as a sensitive and specific target for molecular detection of Babesia gibsoni infection in dogs}, journal = {Experimental Parasitology}, volume = {206}, year = {2019}, month = {NOV}, pages = {107771}, type = {Article}, abstract = {

A PCR targeting mitochondrial cytochrome oxidase subunit III (cox3) for molecular detection of Babesia gibsoni infection in dogs has been developed in this study. Fifty blood samples from suspected clinical cases from dogs, brought to the veterinary college clinics, were examined for presence of B. gibsoni using conventional diagnosis by microscopic examination of Giemsa stained thin blood smears. In addition, species specific PCRs targeting ITS-1 region (BgITS-1 PCR) and nested PCR targeting 18S ribosomal RNA gene (Bg18SnPCR) were carried out. A 634 bp PCR fragment of B. gibsoni cox3 gene was amplified in positive samples from three geographical locations of Satara, Wai and Pune in Maharashtra state of India. From analysis of the sequence of the B. gibsoni cox3 gene, we found that the Indian isolate had 96-98\% similarity to the isolate from Japan and China. Post sequencing, de-novo diagnostic primer pair for species specific amplification of 164 bp fragment of B. gibsoni cox3 was designed and the PCR was standardized. The diagnostic results of de-novo Bgcox3 PCR were compared with BgITS-1 PCR and Bg18S nPCR. Thin blood smears detected 22\% (11/50) samples positive for small form of Babesia species. The BgITS-1 PCR detected 25\% samples (15/50) as positive and Bg18S nPCR detected 80\% (40/50) B. gibsoni positive samples. The de-novo Bgcox3 PCR detected 66\% (33/50) samples positive for B. gibsoni (at 95\% CI). The analytical sensitivity of cox3 PCR was evaluated as 0.000003\% parasitaemia or 09 parasites in 100 mu l of blood. The de-novo diagnostic cox3 PCR did not cross react with control positive DNA from other haemoprotozoa and rickettsia like B. vogeli, Hepatozoon canis, Trypanosoma evansi, Ehrlichia cants and Anaplasma platys. Statistically, cox3 PCR had better diagnostic efficiency than ITS-1 PCR in terms of sensitivity (p = 0.0006). No statistically significant difference between results of cox3 PCR and 18S nPCR was observed (p = 0.1760). Kappa values estimated for each test pair showed fair to moderate agreement between the observations. Specificity of Bgcox3 PCR was 100\% when compared with microscopy or BgITS-1 PCR. Sensitivity of Bgcox3 PCR was 100\% when compared with that of Bg18S nPCR.

}, keywords = {Babesia gibsoni, cox3, Diagnosis, Dog, mitochondria, molecular}, issn = {0014-4894}, doi = {10.1016/j.exppara.2019.107771}, author = {Betgiri, Aishwarya A. and Jadhav, Sameer N. and Pawde, Mrunalini and Shukla, Anurag and Mote, Chandrashekhar and Pawar, Prashant D. and Shanmugam, Dhanasekaran and Kundu, Krishnendu} } @article {46135, title = {Morphology-dependent, green, and selective catalytic styrene oxidation on Co3O4}, journal = {Dalton Transactions}, volume = {48}, year = {2019}, month = {APR }, pages = {4574-4581}, type = {Article}, abstract = {

Despite the great successes in the controlled fabrication of nanomaterials with specific composition and morphology, it is still challenging to have the desired control on the defect sites of catalyst materials. For unfolding the mystery of this aspect, catalytic styrene epoxidation was attempted on spinel Co3O4 with two different morphologies, namely, SNR (nanorods prepared by the solvothermal method with the (110) facet), HNR (nanorods prepared by the hydrothermal methodwith the (111) facet) and NC (nanocubes with the (110) facet) were synthesized and subjected to olefin oxidation with O-2. Even without any catalyst pretreatment, all three Co3O4 catalyst systems were found to be active for selective epoxidation of styrene with O-2 at ambient pressure in the liquid phase. The correlation between catalytic activity and selectivity trend suggests that the reaction is highly structure-sensitive and facile on the (110) facet. Temperature-dependent near ambient pressure X-ray photoelectron spectroscopy (NAPXPS) was carried out at 0.1 mbar O-2 pressure to understand the mechanistic aspects. The distinct catalytic activity of NC (110) and SNR (110) can be attributed to the population of defect sites on the catalyst surface. NC morphology with comparatively fewer defect sites shows high activity and selectivity, suggesting that styrene oxidation on Co3O4 is structure-sensitive; however, unlike metal surfaces, fewer defects are more favourable for catalytic styrene epoxidation due to facile adsorption and activation of the substrate and O-2 on Co3+ sites. The present investigations suggest that surface defects need not necessarily increase catalytic activity.

}, issn = {1477-9226}, doi = {10.1039/c8dt05154b}, author = {Jain, Ruchi and Gopinath, Chinnakonda S.} } @article {46038, title = {MWCNTs-ZnO-SiO2 mesoporous nano-hybrid materials for CO2 capture}, journal = {Journal of Alloys and Compounds}, volume = {800}, year = {2019}, month = {SEP}, pages = {279-285}, type = {Article}, abstract = {

Carbon nanostructures and metal nanoparticles based nanohybrid materials have been established as one of advantageous materials for various applications. Here, we present hydrothermal and sol-gel process at low temperature for the synthesis of (3-Aminopropyl) triethoxysilane (APTES)-ZnO-multi-walled carbon nanotubes (MWCNTs) mesoporous nanohybrid materials. TEM and XPS measurements show that uniform size and quasi-spherical ZnO nanoparticles were anchored to the surface of the MWCNTs. SEM observation exhibits that the aggregation of ZnO nanoparticles is greatly reduced due to the steric repulsion of grafted organic groups. The maximum CO2 adsorption capacity at 273 K was 1.32 mmol/g for MWCNTs-APTES-ZnO-B nanohybrid. An increase in the density of ZnO nanoparticles on the surface of MWCNTs resulted in a higher affinity towards CO2 at low pressure. This work provides new research directions for making further advances toward practical utilization of MWCNTs-based CO2 adsorbents. (C) 2019 Published by Elsevier B.V.

}, keywords = {CO2 capture, Mesoporous, MWCNTs, Nanohybrid, TEM, XPS}, issn = {0925-8388}, doi = {10.1016/j.jallcom.2019.06.011}, author = {Jena, Kishore K. and Panda, Amulya Prasad and Verma, Savita and Mani, Ganesh Kumar and Swain, S. K. and Alhassan, Saeed M.} } @article {45535, title = {Nature of electrophilic oxygen: insights from periodic density functional theory investigations}, journal = {Surface Science}, volume = {679}, year = {2019}, month = {JAN}, pages = {188-195}, type = {Article}, abstract = {

Increasing demand of ethylene oxide and the cost of versatile chemical ethene has been a driving force for understanding mechanism of epoxidation to develop highly selective catalytic process. Direct epoxidation is a proposed mechanism which in theory provides 100\% selectivity. A key aspect of this mechanism is an electrophilic oxygen (O-ele) species forming on the Ag surface. In the past two and half decades, large number of theoretical and experimental investigations have tried to elucidate formation of O-ele, on Ag surface with little success. Equipped with this rich literature on Ag-O interactions, we investigate the same using periodic DFT calculations to further understand how silver surface and oxygen interact with each other from a chemical standpoint. Based on energetics, Lowdin charges, topologies and pdos data described in this study, we scrutinize the established notions of O-ele. Our study provides no evidence in support of O-ele, being an atomic species nor a diatomic molecular species. In fact, a triatomic molecular species described in this work bears multiple signatures which are very convincing evidence for considering it as the most sought for electrophilic entity.

}, keywords = {Ag(100), DFT, Electrophilic, epoxidation, Nucleophilic oxygen}, issn = {0039-6028}, doi = {10.1016/j.susc.2018.09.009}, author = {Kenge, Nivedita and Pitale, Sameer and Joshi, Kavita} } @article {46059, title = {New cardo bisphenol monomer containing pendant azido group and the resulting aromatic polyesters}, journal = {Journal of Polymer Science Part A-Polymer Chemistry}, volume = {57}, year = {2019}, month = {JUL }, pages = {1516-1526}, type = {Article}, abstract = {

Expanding on our strategy to synthesize aromatic step-growth polymers containing pendant clickable azido groups via functional monomer approach, we have now designed and synthesized a new cardo bisphenol, viz., 2-(2-azidoethyl)-3, 3-bis(4-hydroxyphenyl) isoindolin-1-one (PPH-N-3). PPH-N-3 was conveniently synthesized starting from commercially available phenolphthalein by a three-step route in an overall yield of 65\% using simple organic transformations. Aromatic (co)polyesters bearing pendant azido groups were synthesized by low-temperature solution polycondensation of PPH-N-3 or different molar ratios of PPH-N-3 and bisphenol-A (BPA) with aromatic diacid chlorides in dry dichloromethane in the presence of triethylamine (TEA) as a base. The formation of medium to reasonably high-molecular-weight (co)polyesters was evidenced from intrinsic viscosity and number-average molecular-weight measurements that were in the range 0.52-0.85 dL/g and 16,700-28,200, respectively. Tough, transparent, and flexible films could be cast from chloroform solutions of these (co)polyesters. (Co)polyesters were characterized using FTIR, H-1 NMR, C-13 NMR spectroscopy, XRD, and TGA. The thermal curing reaction of (co)polyesters involving decomposition of azido groups was studied by DSC analysis. The chemical modification of a representative copolyester containing pendant azido groups was carried out quantitatively using catalyst-free azide-maleimide cycloaddition reaction with two maleimides, namely, N-methylmaleimide and N-hexylmaleimide. (c) 2019 Wiley Periodicals, Inc.

}, keywords = {aromatic (co)polyester, azido group, cardo bisphenol, Chemical modification}, issn = {0887-624X}, doi = {10.1002/pola.29414}, author = {Maher, Deepak M. and Nagane, Samadhan S. and Jadhav, Uday A. and Salunkhe, Pravin H. and Tawade, Bhausaheb V. and Wadgaonkar, Prakash P.} } @article {46043, title = {New insights into surface functionalization and preparation methods of MWCNT based semiconductor photocatalysts}, journal = {Ceramics International}, volume = {45}, year = {2019}, month = {AUG }, pages = {14490-14499}, type = {Article}, abstract = {

The manuscript primarily describes the influence of various synthesis strategies on the photocatalytic properties of MWCNT/TiO2 binary nanohybrids. The multiwalled carbon nanotube modified titania hybrids synthesized via two-step reaction involving the covalent functionalization with green and mild oxidizing agent like H2O2, followed by simple surfactant/template free hydrothermal synthesis exhibited the maximum photocatalytic efficiency. The Total Organic Carbon (TOC) analysis showed complete mineralization of the persistent Rhodamine B dye in about 8 h. These synthesized nanohybrids in varying MWCNT content were tested for their photocatalytic efficiency in the degradation of explosive effluents like 4-nitrophenol and picric acid. The UV-Vis diffuse reflectance spectroscopy (UV-Vis DRS), X-ray photoelectron spectroscopy (XPS), Brunauer Emmett Teller Surface area analysis (BET), Fourier transform infrared spectroscopy (FT-IR), Transmission electron microscopy (TEM) and Raman spectra analysis evidently revealed the effective synergistic interaction between the MWCNT and titania at the interface that has contributed to the significant enhancement of photocatalytic performance.

}, keywords = {Functionalization, Multiwalled carbon nanotubes (MWCNTs), Nitrophenol (4-NP), Photocatalysis, Picric acid (PA), Rhodamine B (RhB), Sol gel and hydrothermal method, synergistic effects, Titania (TiO2), Total organic carbon content (TOC)}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2019.04.058}, author = {Joseph, Honey Mary and Sugunan, S. and Gurrala, Lakshmiprasad and Mohan, Mothi Krishna and Gopi, Soumya} } @article {45528, title = {Nickel-catalyzed straightforward and regioselective C-H alkenylation of indoles with alkenyl bromides: scope and mechanistic aspect}, journal = {ACS Catalysis}, volume = {9}, year = {2019}, month = {JAN}, pages = {431-441}, type = {Article}, abstract = {

Nickel-catalyzed regioselective C-H bond alkenylation of indoles and related heteroarenes with alkenyl bromides is accomplished under relatively mild conditions. This method allows the straightforward synthesis of C-2 alkenylated indoles employing an air-stable and well-defined nickel catalyst, (bpy)NiBr2, providing a solution to the limitations associated with hydroindolation and oxidative alkenylation. The reaction conceded the coupling of indole derivatives with various alkenyl bromides, such as aromatic and heteroaromatics, alpha- and beta-substituted as well as exo- and endo-cyclic alkenyl compounds. An extensive mechanistic investigation, including controlled study, reactivity experiments, kinetics and labeling studies, and EPR and XPS analyses, highlights that the alkenylation proceeds through a single-electron transfer process comprising an odd-electron oxidative addition of alkenyl bromide. Furthermore, the alkenylation operates via a probable Ni(I)/Ni(III) pathway involving the rate-limiting C-H nickelation of indole.

}, keywords = {alkenylation, C-H activation, indoles, Mechanism, Nickel, single-electron transfer}, issn = {2155-5435}, doi = {10.1021/acscatal.8b04267}, author = {Jagtap, Rahul A. and Vinod, C. P. and Punji, Benudhar} } @article {46128, title = {NMR structure and dynamics of inhibitory repeat domain variant 12, a plant protease inhibitor from Capsicum annuum, and its structural relationship to other plant protease inhibitors}, journal = {Journal of Biomolecular Structure \& Dynamics}, year = {2019}, month = {APR}, type = {Article; Early Access}, abstract = {

Although several plant protease inhibitors have been structurally characterized using X-ray crystallography, very few have been studied using NMR techniques. Here, we report an NMR study of the solution structure and dynamics of an inhibitory repeat domain (IRD) variant 12 from the wound-inducible Pin-II type proteinase inhibitor from Capsicum annuum. IRD variant 12 (IRD12) showed strong anti-metabolic activity against the Lepidopteran insect pest, Helicoverpa armigera. The NMR-derived three-dimensional structure of IRD12 reveals a three-stranded anti-parallel beta-sheet rigidly held together by four disulfide bridges and shows structural homology with known IRDs. It is interesting to note that the IRD12 structure containing similar to 75\% unstructured part still shows substantial amount of rigidity of N-H bond vectors with respect to its molecular motion. Communicated by Ramaswamy H. Sarma

}, keywords = {Bt transgenic, Capsicum annuum, Helicoverpa armigera, inhibitory repeating domains, NMR structure, Protease inhibitors (PIs)}, issn = {0739-1102}, doi = {10.1080/07391102.2019.1607559, Early Access Date = APR, Early Access Year = 2019}, author = {Gartia, Janeka and Anangi, Raveendra and Joshi, Rakesh S. and Giri, Ashok P. and King, Glenn F. and Barnwal, Ravi P. and Chary, Kandala V. R.} } @article {46359, title = {Non nucleoside reverse transcriptase inhibitors, molecular docking studies and antitubercular activity of thiazolidin-4-one derivatives}, journal = {Current Computer-Aided Drug Design}, volume = {15}, year = {2019}, month = {JAN}, pages = {433-444}, type = {Article}, abstract = {

Background: Management of Co-existence of Acquired immunodeficiency syndrome and Tuberculosis has become a global challenge due to the emergence of resistant strains and pill burden. Objective: Hence the aim of the present work was to design and evaluate compounds for their dual activity on HIV-1 and Tuberculosis (TB). Methods: A series of seven, novel Thiazolidin-4-one derivatives were synthesized and evaluated for their anti-HIV and anti-tubercular activity along with Molecular docking studies. All the seven compounds displayed promising activity against the replication of HIV-1 in cell-based assays. The four most active compounds were further evaluated against X4 tropic HIV-1(UG)(070) and R5 tropic HIV-1(vB59) primary isolates. The binding affinity of all the designed compounds for HIV-RT and Mycobacterium tuberculosis Enol Reductase (MTB InhA) was gauged by molecular docking studies which revealed crucial thermodynamic interactions governing their binding. Results: The CC50 values for the test compounds were in the range of, 15.08-34.9 mu g/ml, while the IC50 values were in the range of 16.1-27.13(UG(070); X4) and 12.03-23.64 (VB59; R5) mu g/ml. The control drug Nevirapine (NVP) exhibited CC50 value of 77.13 mu g/ml and IC50 value of 0.03 mu g/ml. Amongst all these compounds, compound number 3 showed significant activity with a TI value of 2.167 and 2.678 against the HIV-1 X4 and the R5 tropic virus respectively. In anti-mycobacterial screening, the compounds proved effective in inhibiting the growth of both log phase and starved MTB cultures. Conclusion: Compound 3 has been found to be active against HIV-1 as well as MTB.

}, keywords = {anti-HIV-1 activity, Antitubercular activity, human immunodeficiency virus-1, Molecular docking, Non nucleoside reverse transcriptase, thiazolidin-4-ones}, issn = {1573-4099}, doi = {10.2174/1573409915666181221102903}, author = {Chitre, Trupti S. and Patil, Shital M. and Sujalegaonkar, Anagha G. and Asgaonkar, Kalyani D. and Khedkar, Vijay M. and Garud, Dinesh R. and Jha, Prakash C. and Gaikwad, Sharddha Y. and Kulkarni, Smita and Choudhari, Amit and Sarkar, Dhiman} } @article {45598, title = {Nonoxidative dehydrogenation of methanol to methyl formate through highly stable and reusable CuMgO-based catalysts}, journal = {ACS Omega}, volume = {4}, year = {2019}, month = {JAN}, pages = {1854{\textendash}1860}, type = {Article}, abstract = {

Nonoxidative dehydrogenation of methanol to methyl formate over a CuMgO-based catalyst was investigated. Although the active site is metallic copper (Cu0), the best reaction conditions were obtained by tuning the ratio of Cu/Mg and doping the catalyst with 1 wt \% of Pd to achieve a very specific activity for methyl formate synthesis. On the basis of the CO2 temperature-programmed desorption study, the basic strength of the catalyst plays a role in the efficient conversion of methanol to methyl formate via dehydrogenation. These CuMgO-based catalysts show excellent thermal stability during the reaction and the regeneration processes. Approx. 80\% methanol conversion with constant selectivity to methyl formate was achieved even after 4 rounds of usage for a total reaction time exceeding 200 h, indicative of their potential for practical applications.

}, doi = {10.1021/acsomega.8b03069}, author = {Yuan D. J. and Hengne, A. M. and Saih, Y. and Huang, K. W.} } @article {45527, title = {Operando X-ray absorption spectroscopy study of the Fischer-Tropsch reaction with a Co catalyst}, journal = {Journal of Synchrotron Radiation}, volume = {26}, year = {2019}, month = {JAN}, pages = {137-144}, type = {Article}, abstract = {

This article describes the setting up of a facility on the energy-scanning EXAFS beamline (BL-09) at RRCAT, Indore, India, for operando studies of structure-activity correlation during a catalytic reaction. The setup was tested by operando X-ray absorption spectroscopy (XAS) studies performed on a Co-based catalyst during the Fischer-Tropsch reaction to obtain information regarding structural changes in the catalyst during the reaction. Simultaneous gas chromatography (GC) measurements during the reaction facilitate monitoring of the product gases, which in turn gives information regarding the activity of the catalyst. The combination of XAS and GC techniques was used to correlate the structural changes with the activity of the catalyst at different reaction temperatures. The oxide catalyst was reduced to the metallic phase by heating at 400 degrees C for 5h under H-2 at ambient pressure and subsequently the catalytic reaction was studied at four different temperatures of 240, 260, 280 and 320 degrees C. The catalyst was studied for 10h at 320 degrees C and an attempt has been made to understand the process of its deactivation from the XANES and EXAFS results.

}, keywords = {catalysis, EXAFS, Fischer-Tropsch reaction, in situ studies, structure-activity correlation, XANES}, issn = {1600-5775}, doi = {10.1107/S1600577518015588}, author = {Nayak, Chandrani and Jain, Preeti and Vinod, C. P. and Jha, S. N. and Bhattacharyya, D.} } @article {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 {46049, title = {Phyto-inspired cyclic peptides derived from plant Pin-II type protease inhibitor reactive center loops for crop protection from insect pests}, journal = {Biochimica ET Biophysica Acta-General Subjects}, volume = {1863}, year = {2019}, month = {AUG}, pages = {1254-1262}, type = {Article}, abstract = {

Background: Natural defence of plants against insect pests involves protease inhibitors (PIs) that interfere with insect digestive proteases. Pin-II type plant PIs are wound inducible upon insect damage and possess multiple inhibitory repeat domains that can inhibit trypsin and chymotrypsin-like proteases in the insect midgut. Yet, their agricultural ex-vivo application is limited due to large molecular size and environmental instability, which could be overcome by small peptides. Methods: Bicyclic peptides were designed by grafting Pin-II PIs derived reactive center loop (RCL) on synthetic tris(bromomethyl)benzene scaffold. In vitro binding with trypsin-like proteases was evaluated by biochemical and biophysical assays, followed by molecular dynamics simulations. In vivo effects on two major lepidopteran insect pests, Helicoverpa armigera and Spodoptera litura were studied upon feeding with peptide treated leaves. Affinity based pull down assays were used to identify target proteins in insect gut. Results: Bicyclic RCLs showed ten-fold enhanced protease inhibition compared to their linear counterparts. They exhibited feeding deterrence and growth reduction of lepidopteran insects. Bicyclic peptides predominantly interact with midgut serine proteases. Possible binding modes involve simultaneous interaction with the active site and specificity-determining residues of insect gut trypsin. Conclusion: Bicyclic peptides are potent inhibitors of serine proteases in the insect midgut. They cause feeding aversion and larval growth retardation. Bi-domain cyclic peptides interact with two sites on trypsin, leading to enhanced efficacy over linear RCL peptides. General significance: Bicyclic peptides mimic natural PIs by inhibiting insect proteases leading to growth reduction, thus, could be used as pest control molecules in agriculture.

}, keywords = {Cyclic peptide, Lepidoptera, Pest control, protease inhibitor, Reactive loop}, issn = {0304-4165}, doi = {10.1016/j.bbagen.2019.05.003}, author = {Sailthedkar, Nidhi S. and Joshi, Rakesh S. and Yadav, Amit K. and Seal, Shubhendu and Fernandes, Moneesha and Giri, Ashok P.} } @article {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 {46412, title = {Probing the catalytic activity of pristine and doped Pd and Ni metal clusters towards H2O molecule}, journal = {Computational and Theoretical Chemistry}, volume = {1170}, year = {2019}, month = {DEC }, pages = {112624}, type = {Article}, abstract = {

Electrolysis of H2O to produce molecular hydrogen, the most environment friendly and energy efficient fuel, using cost effective catalysts is one of the major global research challenges. To date, Pt remains the best suitable and yet highly expensive electro-catalyst for hydrogen evolution reaction. Design of an alternative cost-effective catalyst requires a fundamental molecular level understanding of the water molecule adsorption and its activation. In that context, we examine the adsorption and activation of water molecule on model alternative catalysts namely, Ni-6 and Pd-6 clusters using density functional theory based methodology. Ni-6 and Pd-6 clusters and their singly doped counterparts are used for this study. Mo, W, Fe, Co and Cu are used as doping elements. To quantify the influence of medium (neutral and alkaline) on the activation of the water molecule, Ni based clusters are considered in neutral and anionic states, respectively. The activity of these clusters towards H2O molecule is evaluated in terms of the adsorption energy, charge transfer, bandgap, red shift in O-H stretching frequency and dissociation barriers for H2O. The studies demonstrate that doping with Co in all the studied clusters (Pd-6, Ni-6 and anionic Ni-6) increases their activity. Best activity is noted for Fe doped neutral Ni b clusters with a dissociation barrier of 5.76 kcal/mol.

}, keywords = {Activation barrier, Ni clusters, O-H activation, Pd clusters, Red shift of O-H stretching frequency, Water adsorption}, issn = {2210-271X}, doi = {10.1016/j.comptc.2019.112624}, author = {Samal, Pragnya Paramita and Joshi, Krati and Kaliaperumal, Selvaraj and Krishnamurty, Sailaja} } @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 {45533, title = {Process development of silica extraction from RHA: a cradle to gate environmental impact approach}, journal = {Environmental Science and Pollution Research}, volume = {26}, year = {2019}, month = {JAN}, pages = {492-500}, type = {Article}, abstract = {

India is one of the major rice-producing countries. Rice husk is a major agricultural by-product from rice production, which is used as a fuel in boilers. Its use as fuel produces huge amounts of silica-rich rice husk ash (RHA). This paper aims at providing an overall assessment of environmental impacts associated with the extraction of silica from RHAa process developed by our study group. The functional unit used in this study is production of 100kg of silica. The analysis included the extraction and transportation of other raw materials; RHA was assumed to be processed at the site. The study was conducted in accordance with the international ISO 14040 procedural framework. LCA is performed using GaBi Education software, and five midpoint indicators are chosen to assess the environmental impacts of silica extraction. The overall climate change (CC) of the extraction process is 7.26kg CO2 equivalent per kg of silica produced. A high contribution of calcination to CC is attributed to the use of electricity. The comprehensive environmental impacts of silica-rich RHA resulting from processing of RHA and improvement options to achieve sustainable production are presented. The negative impacts that can be avoided during silica extraction are also discussed. It is observed that calcination is a major contributor to the overall environmental indicators. The work also stresses on the use of renewable energy for electricity generation, which would help in decreasing the overall greenhouse gas emissions during extraction while ensuring waste utilization.

}, keywords = {Environmental impacts, Life cycle assessment, Rice husk ash, silica}, issn = {0944-1344}, doi = {10.1007/s11356-018-3648-9}, author = {Joglekar, Saurabh N. and Kharkar, Rhushikesh A. and Mandavgane, Sachin A. and Kulkarni, Bhaskar D.} } @article {46236, title = {Raman and Na-23 solid-state NMR studies on the lead-free ferroelectrics Bi-0.5(Na1-xKx)(0.5)TiO3 in the morphotropic phase boundary region}, journal = {Materials Research Bulletin}, volume = {118}, year = {2019}, month = {OCT}, type = {Article}, abstract = {

The local structural changes, due to the substitution of the smaller Na+ by the larger K+ ion, in the lead-free piezoelectric ceramic compositions Bi-0.5(Na1-xKx)(0.5)TiO3 have been studied using Raman and Na-23 solid-state NMR spectroscopy. Different close compositions in the solid solution series Bi-0.5(Na1-xKx)(0.5)TiO3 (0 \<= x \<= 0.36, Delta x = 0.02) are studied in the morphotropic phase boundary (MPB) region arising from the different crystal structures of the end members Bi0.5Na0.5TiO3 and Bi0.5K0.5TiO3. Close correlations between the Raman and NMR parameters with the performance parameters of the system have been observed, suggesting the role of the local structural changes in determining these parameters. Raman and Na-23 NMR studies showed that the onset of the MPB region is at x = 0.16 and the MPB region corresponds to 0.16 \<= x \<= 0.24 where better performance parameters are observed.

}, doi = {10.1016/j.materresbull.2019.110506}, author = {Anjali, K. and Ajithkumar, T. G. and Joy, P. A.} } @article {46103, title = {Reusable cobalt catalyst for reversible acceptorless dehydrogenation and hydrogenation of N-Heterocycles}, journal = {ChemCatChem}, volume = {11}, year = {2019}, month = {MAY}, pages = {2449-2457}, type = {Article}, abstract = {

The development of robust catalytic systems based on basemetals for reversible acceptorless dehydrogenation (ADH) and hydrogenation of feedstock chemicals is very important in the context of {\textquoteleft} hydrogen storage{\textquoteright}. Herein, we report a highly efficient reusable cobalt-based heterogeneous catalyst for reversible dehydrogenation and hydrogenation of N-heterocycles. Both the ADH and the hydrogenation processes operate under mild, benign conditions.

}, doi = {10.1002/cctc.201900367}, author = {Jaiswal, Garima and Subaramanian, Murugan and Sahoo, Manoj K. and Balaraman, Ekambaram} } @article {46319, title = {Role of particle morphology in the yielding behavior of dense thermosensitive microgel suspensions}, journal = {Journal of Applied Polymer Science}, year = {2019}, month = {OCT}, pages = {48625}, type = {Article; Early Access}, abstract = {

The yielding behavior of dense thermosensitive microgel suspensions of poly(N-isopropylacrylamide) with two different particle morphologies viz core-shell (CS) morphology and particles with uniform crosslink density were studied. Structural properties were examined using dynamic light scattering and yielding behavior was investigated by nonlinear oscillatory rheology. Suspensions of particles with uniform crosslinking density showed a typical hard sphere like behavior with the loss modulus (G {\textquoteleft}{\textquoteright}) exhibiting a single peak due to cage breaking while CS type particles shows a double yielding at different ranges of strain similar to that seen in attractive colloidal glasses. The first yielding process in CS microgels is interpreted as due to the disentanglement of the overlapped polymer chains from the shells of the neighboring microgels and the second yielding process due to the breakage of cages formed by neighboring microgel particles. Current study suggests that the interpenetration of polymer chains at high concentrations sets in an attractive like potential leading to double yielding phenomena in an otherwise purely repulsive system. (c) 2019 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2019, 137, 48625.

}, issn = {0021-8995}, doi = {10.1002/app.48625}, author = {Jathavedan, Kiran Kaithakkal and Kanheerampockil, Fayis and Bhat, Suresh} } @article {46169, title = {Role of structural distortion in stabilizing electrosynthesized blue emitting phosphorene quantum dots}, journal = {Journal of Physical Chemistry Letters}, volume = {10}, year = {2019}, month = {MAR }, pages = {973-980}, type = {Article}, abstract = {

Luminescent phosphorene quantum dots (PQDs) have emerged as fascinating nanomaterials for potential applications in optoelectronics, catalysis, and sensing. Herein, we investigate the structural distortion of black phosphorus (BP) under an applied electric field to yield blue luminescent PQDs [average diameter 8 +/- 1.5 nm (N = 60)]. The electrosynthesized PQDs exhibit photoluminescence emission independent of excitation wavelength with 84\% quantum efficiency. Structural distortion that occurred during the transformation of BP to PQDs is confirmed by results obtained during transmission electron microscopy, X-ray diffraction and X-ray photoelectron spectroscopy. Further, using first-principles-based density functional theory, calculations on oxygenated and nonoxygenated PQDs augment the experimental observations that an optimum oxygen content maintains the structural integrity of PQDs, above which the structural robustness of PQDs is drastically diminished.

}, issn = {1948-7185}, doi = {10.1021/acs.jpclett.8b03600}, author = {Valappil, Manila Ozhukil and Joshi, Krati and John, Lisa and Krishnamurthy, Sailaja and Jana, Bikash and Patra, Amitava and Pillai, Vijayamohanan K. and Alwarappan, Subbiah} } @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 {46079, title = {Scope and mechanistic aspect of nickel-catalyzed alkenylation of benzothiazoles and related azoles with styryl bromides}, journal = {Organometallics}, volume = {38}, year = {2019}, month = {JUN }, pages = {2422-2430}, type = {Article}, abstract = {

Alkenylation of benzothiazoles and related azoles with alkenyl bromides is achieved employing the well-defined and air-stable nickel complexes, (bpy)NiBr2 and [Ni(bpy)(3)] [NiBr4], as catalysts. Numerous electronically distinct alkenyl bromides efficiently coupled with substituted benzothiazoles, oxazoles, and benzimidazoles under the catalytic conditions to afford 2-alkenylated azoles. An extensive mechanistic study of the alkenylation of benzothiazole using (bpy)NiBr2 highlights a single-electron transfer process for the reaction involving the two-step one-electron oxidative addition of alkenyl bromide. The substrate benzothiazole plays a significant and diverse role in the reaction, and C-H bond cleavage is reversible in nature. Detailed kinetic analysis and control reactivity studies are indicative of a Ni(I)/Ni(III) pathway for the alkenylation comprising the rate-influencing reductive elimination step.

}, issn = {0276-7333}, doi = {10.1021/acs.organomet.9b00060}, author = {Patel, Ulhas N. and Jagtap, Rahul A. and Punji, Benudhar} } @article {46442, title = {Semirational design and engineering of grapevine glucosyltransferases for enhanced activity and modified product selectivity}, journal = {Glycobiology}, volume = {29}, year = {2019}, month = {NOV}, pages = {765-775}, type = {Article}, abstract = {

Uridine diphosphate-dependent glycosyltransferases (UGTs) catalyze the transfer of a diversity of sugars to several acceptor molecules and often exhibit distinct substrate specificity. Modulation of glycosyltransferases for increased catalytic activity and altered substrate or product specificity are the key manipulations for the biotechnological use of glycosyltransferases in various biosynthetic processes. Here, we have engineered the binding pocket of three previously characterized Vitis vinifera glycosyltransferases, UGT88F12, UGT72B27 and UGT92G6, by structure-guided in silico mutagenesis to facilitate the interactions of active site residues with flavonol glucosides and thus modify substrate specificity and activity. Site-directed mutagenesis at selected sites, followed with liquid chromatography-mass spectrometry based activity assays, exhibited that mutant UGTs were altered in product selectivity and activity as compared to the wild-type enzymes. Mutant UGTs produced larger amounts of flavonol di-monosaccharide glucosides, which imply that the mutations led to structural changes that increased the volume of the binding pocket to accommodate a larger substrate and to release larger products at ease. Mutants showed increased activity and modified product specificity. Thus, structure-based systematic mutations of the amino acid residues in the binding pocket can be explored for the generation of engineered UGTs for diverse biotechnological applications.

}, keywords = {flavonol, Glycosyltransferase, in silico analysis, Mutagenesis, selectivity}, issn = {0959-6658}, doi = {10.1093/glycob/cwz056}, author = {Joshi, Rakesh and Trinkl, Johanna and Haugeneder, Annika and Haertl, Katja and Franz-Oberdorf, Katrin and Giri, Ashok and Hoffmann, Thomas and Schwab, Wilfried} } @article {46089, title = {Size-controlled cobalt ferrite nanocrystals: magnetically separable reusable nanocatalysts for selective oxidation of styrene}, journal = {ChemistrySelect}, volume = {4}, year = {2019}, month = {JUN }, pages = {6524-6531}, type = {Article}, abstract = {

Superparamagnetic cobalt ferrite (CFO) nanocrystals (NCs) with sizes similar to 6 nm and similar to 4 nm were synthesized using a facile solvothermal method using fatty acids, lauric acid and stearic acid, as the capping agents. The synthesized nanocrystals were well characterized by XRD, FT-IR, XPS, SEM and TEM. The formation mechanism was explored and it was shown that the fatty acid was actually chemisorbed as a carboxylate onto the surface of CFO NCs. The experimental results specify that the size and size distribution of the CFO NCs were highly dependent on the length of fatty acid hydrophobic chain. Corresponding changes of the magnetic properties were investigated by measuring magnetization as a function of field and temperature, which suggest that the CFO NCs were superparamagnetic in nature. The catalytic properties for the oxidation of styrene in organic medium were examined by using the synthesized CFO NCs with sizes similar to 6 nm and similar to 4 nm. The synthesized CFO NCs, well dispersible in organic media, were demonstrated to be highly catalytically active, reached 100\% conversion of styrene in 12 h with similar to 77\% and similar to 82\% selectivity for styrene oxide respectively. The magnetic CFO nanocatalysts were easily separated and recovered from the reaction medium by an external magnet, and reused for several cycles without losing catalytic selectivity for styrene oxide.

}, keywords = {Cobalt ferrite, epoxidation, Fatty acids, magnetic properties, nanocrystals}, issn = {2365-6549}, doi = {10.1002/slct.201900714}, author = {Jeyavani, Vijayakrishnan and Pawar, Sayali and Dadwal, Arun and Joy, Pattayil Alias and Mukherjee, Shatabdi Porel} } @article {46196, title = {Slow motion protein dance visualized using red-edge excitation shift of a buried fluorophore}, journal = {Journal of Physical Chemistry B}, volume = {123}, year = {2019}, month = {FEB}, pages = {1256-1264}, type = {Article}, abstract = {

It has been extremely challenging to detect protein structures with a dynamic core, such as dry molten globules, that remain in equilibrium with the tightly packed native (N) state and that are important for a myriad of entropy-driven protein functions. Here, we detect the higher entropy conformations of a human serum protein, using red-edge excitation shift experiments. We covalently introduced a fluorophore inside the protein core and observed that in a subset of native population, the side chains of the polar and buried residues have different spatial arrangements than the mean population and that they solvate the fluorophore on a timescale much slower than the nanosecond timescale of fluorescence. Our results provide direct evidence for the dense fluidity of protein core and show that alternate side-chain packing arrangements exist in the core that might be important for multiple binding functions of this protein.

}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.8b11151}, author = {Mishra, Prajna and Jha, Santosh Kumar} } @article {46097, title = {Solvothermal growth of PbBi2Se4 nano-flowers: a material for humidity sensor and photodetector applications}, journal = {Physica Status Solidi A-Applications and Materials Science}, volume = {216}, year = {2019}, month = {JUN}, pages = {1900065}, type = {Article}, abstract = {

In the present work, lead bismuth selenide (PbBi2Se4) nano-flowers are synthesized by using a simple solvothermal method. Humidity sensor and photodetector based on PbBi2Se4 nano-flowers are fabricated on indium tin oxide (ITO) substrates and their sensing properties are investigated. Formation of PbBi2Se4 is confirmed by XRD, EDS, and XPS whereas formation of nano-flowers is confirmed by SEM and TEM analysis. XRD analysis reveals the hexagonal crystal structure of PbBi2Se4 phase with a = b = 4.22 angstrom, and c= 17.42 angstrom. The surface morphology of PbBi2Se4 clearly shows the formation of well-organized flower-like nanostructures which closely resembles the shape of Dahlia. The elemental mapping of chemical constituents obtained from SEM-EDS analysis shows uniform distribution of chemical constituents for the Pb, Bi, and Se in PbBi2Se4 nano-flowers. The PbBi2Se4 nano-flowers based humidity sensor has a typical response time of approximate to 65s and recovery time of approximate to 75 s. In case of PbBi2Se4 nano-flowers-based photodetector, the response and recovery time are observed approximate to 121 and approximate to 123 s, respectively, under visible light illumination with photoresponsivity (5 x 10(-6)), photosensitivity (2.16\%), and quantum efficiency (1.5 x 10(4)). The obtained results demonstrate the potential applications of solvothermally grown PbBi2Se4 nano-flowers-based devices for humidity sensors and photodetectors. The ease of the present work is to develop novel material to obtain device quality humidity sensors and photodetectors.

}, keywords = {humidity sensor, PbBi2Se4, photodetector, XPS, XRD}, issn = {1862-6300}, doi = {10.1002/pssa.201900065}, author = {Aher, Rahul and Bhorde, Ajinkya and Nair, Shruthi and Borate, Haribhau and Pandharkar, Subhash and Naik, Dhirsing and Vairale, Priti and Karpe, Smita and Late, Dattatray and Prasad, Mohit and Jadkar, Sandesh} } @article {46002, title = {Stealth emulsion based on natural rubber latex, core-shell ferrofluid/carbon black in the S and X bands}, journal = {Nanotechnology}, volume = {30}, year = {2019}, month = {AUG }, pages = {315703}, type = {Article}, abstract = {

A lossy dielectric with an appropriate magnetic property is one of the requirements of a stealth material. The thickness of the absorber and the corresponding bandwidth of absorption are also other deciding factors that determine the choice of the material as microwave absorbers. A stable emulsion, which is lossy as well as magnetic, is promising, since it can be coated on surfaces with required thickness in the desired band. A magnetic nanofluidic emulsion serves the purpose. A microwave absorbing emulsion based on natural rubber latex with core-shell magnetic nanoparticles, based on superparamagnetic iron oxide nanoparticles (SPIONs), was developed. The effect of additives like carbon black on the bandwidth of absorption was also studied as a function of weight percentage of carbon black. The complex dielectric permittivity and magnetic permeability were evaluated using a vector network analyser in the S and X bands. Furthermore, these results were modelled using surface impedance equations. These investigations revealed that the incorporation of carbon black enhances the bandwidth of absorption and an emulsion with the required dielectric permittivity and magnetic permeability can be tailored for stealth applications.

}, keywords = {carbon black, core-shell nanoparticles, ferrofluid, microwave absorbing paint, natural rubber latex}, issn = {0957-4484}, doi = {10.1088/1361-6528/ab1194}, author = {Vinayasree, S. and Nair, Ajalesh Balachandran and Mani, Manoj and Archana, V. N. and Joseph, Rani and Mohanan, P. and Joy, P. A. and Anantharaman, M. R.} } @article {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 {46071, title = {Study of rheology and plug assist thermoforming of linear and branched pp homopolymer and impact copolymer}, journal = {International Polymer Processing}, volume = {34}, year = {2019}, month = {JUL}, pages = {339-355}, type = {Article}, abstract = {

Polypropylene (PP) is one of the fastest growing thermoplastic polymers in the world, second only to polyethylene. This is primarily due to its excellent balance of physical and chemical properties at a lower cost. PP however possesses low melt strength on account of its linear structure and hence is not easily amenable to processing techniques that involve free surface stretching deformations like thermoforming, blow molding and extrusion film casting. One way to enhance the melt strength of PP is to incorporate long chain branches in its molecular architecture. The present study focuses on the impact of rheology of linear and branched PP on their thermoforming characteristics. Two grades each of linear and long chain branched (LCB) PP homopolymer and impact copolymer (ICP) were used. It was observed that the LCB-PP homopolymer and LCB-ICP showed higher flow activation energy, reduced value of loss tangent and nearly equal frequency dependence of storage and loss moduli in shear rheology. Also, a strong strain hardening behavior was displayed in extensional rheology by the LCB grades. Plug assist thermoforming experiments were carried out to assess the effect of long chain branching on surface strain and thickness distribution for axisymmetric cups of two draw ratios. Biaxial surface strain maps of the formed cups were quantified using Grid Strain Analysis (GSA). Thermoformed cups made from LCB-PP homopolymer and LCB-impact copolymer showed lower surface strain and overall higher thickness as compared to cups made from their linear counterparts, which is in accordance with what might be expected from their rheology.

}, issn = {0930-777X}, doi = {10.3139/217.3704}, author = {Marathe, D. and Shelar, S. and Mahajan, S. and Ahmad, Z. and Gupta, S. and Kulkarni, S. and Juvekar, V and Lele, A.} } @article {46143, title = {Surfactant free synthesis of Au@Ni core-shell nanochains in aqueous medium as efficient transfer hydrogenation catalyst}, journal = {Applied Catalysis A-General}, volume = {575}, year = {2019}, month = {APR }, pages = {93-100}, type = {Article}, abstract = {

A surfactant free aqueous phase synthesis method is reported for the generation of highly lattice mismatched Au@Ni core-shell nanochains without using any expensive and hazardous organic ligands. As synthesised Au@Ni nanochain structures showed high thermal stability and bulk oxidation resistance up to 300 degrees C. In situ near ambient pressure XPS (NAPXPS) analysis has been done for the bare Au@Ni nanochain surfaces under oxygen atmosphere and at different temperatures which showed evidence for the surface oxidation resistance of naked Au@Ni nanochains up to 200 degrees C. Ligand or capping agent free Au@Ni nanochain surfaces are found to be highly active for transfer hydrogenation of acetophenone to 1-phenyl ethanol an important commodity in perfumery industry.

}, keywords = {Au@Ni nanochains, core-shell, NAPXPS, Surfactant free, synergistic effects, transfer hydrogenation}, issn = {0926-860X}, doi = {10.1016/j.apcata.2019.01.017}, author = {Vysakh, A. B. and Shebin, K. J. and Jain, Ruchi and Sumanta, P. and Gopinath, Chinnakonda S. and Vinod, C. P.} } @article {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 {45524, title = {Terpene profiling, transcriptome analysis and characterization of cis{\textendash}terpineol synthase from Ocimum}, journal = {Physiology and Molecular Biology of Plants}, volume = {25}, year = {2019}, month = {JAN}, pages = {47-57}, type = {Article}, abstract = {

Ocimum species produces a varied mix of different metabolites that imparts immense medicinal properties. To explore this chemo-diversity, we initially carried out metabolite profiling of different tissues of five Ocimum species and identified the major terpenes. This analysis broadly classified these five Ocimum species into two distinct chemotypes namely, phenylpropanoid-rich and terpene-rich. In particular, -caryophyllene, myrcene, limonene, camphor, borneol and selinene were major terpenes present in these Ocimum species. Subsequently, transcriptomic analysis of pooled RNA samples from different tissues of Ocimum gratissimum, O. tenuiflorum and O. kilimandscharicum identified 38 unique transcripts of terpene synthase (TPS) gene family. Full-length gene cloning, followed by sequencing and phylogenetic analysis of three TPS transcripts were carried out along with their expression in various tissues. Terpenoid metabolite and expression profiling of candidate TPS genes in various tissues of Ocimum species revealed spatial variances. Further, putative TPS contig 19414 (TPS1) was selected to corroborate its role in terpene biosynthesis. Agrobacterium-mediated transient over-expression assay of TPS1 in the leaves of O. kilimandscharicum and subsequent metabolic and gene expression analyses indicated it as a cis{\textendash}terpineol synthase. Overall, present study provided deeper understanding of terpene diversity in Ocimum species and might help in the enhancement of their terpene content through advanced biotechnological approaches.

}, keywords = {Agro-infiltration assay, Metabolite profiling, Ocimum, Terpene synthase, Terpenes, Transcriptome}, issn = {0971-5894}, doi = {10.1007/s12298-018-0612-6}, author = {Anand, Atul and Jayaramaiah, Ramesha H. and Beedkar, Supriya D. and Dholakia, Bhushan B. and Lavhale, Santosh G. and Punekar, Sachin A. and Gade, Wasudeo N. and Thulasiram, Hirekodathakallu V. and Giri, Ashok P.} } @article {46108, title = {Transition-metal-free glucose-derived carbonaceous catalyst catalyzes direct C-H arylation of unactivated arenes with aryl halides}, journal = {ChemistrySelect}, volume = {4}, year = {2019}, month = {MAY }, pages = {4848-4853}, type = {Article}, abstract = {

Transition metal free coupling reactions have gained lot of importance recently. The traditional method for the synthesis of biaryl{\textquoteright}s uses organometallic reagents for the arylation reactions. There are certain drawbacks associated with such traditional methods. Use of expensive metals, metal impurities in the products formed and disposal of metal waste generated are major problems that need to be taken care of. Thus, research has been focussed on using transition metal free catalyst for cross coupling reactions to encourage green environment and it still remains a challenge for researchers. Carbonaceous catalyst have attracted great attention recently as a heterogeneous catalyst as it has a carbon skeleton that is stable, easily separable, reusable, eco-friendly and highly economical compared to other heterogeneous catalyst. Carbonaceous catalysts have been studied in variety of organic reactions such as hydrolysis, dehydration, esterification, alkylation, condensation, oxathioketalization, dimerization, benzylation and trimethylsilylation, etc. It was estimated that - stacking interactions between carbonaceous catalyst and arenes will accelerate the coupling reaction. However to the best of our knowledge, there are no reports available in literature on use of carbonaceous catalyst for direct arylation of arenes. And thus, we developed a new method for C-H arylation of unactivated arenes with aryl halides using a transition metal free D-glucose derived carbonaceous catalyst.

}, keywords = {Arylation, carbonaceous, glucose, metal-free}, issn = {2365-6549}, doi = {10.1002/slct.201900013}, author = {Jori, Popat K. and Jadhav, Vrushali H.} } @article {46431, title = {Water-assisted stability of carbene: cyclic voltammetric investigation of 1-ethyl-3-methylimidazolium ethylsulfate ionic liquid}, journal = {Physical Chemistry Chemical Physics}, volume = {21}, year = {2019}, month = {NOV }, pages = {24126-24131}, type = {Article}, abstract = {

In this work, we report electrochemical studies on imidazolium-based ionic liquids with an objective to explore the possibility of carbene formation in their dilute aqueous solutions. Conventionally, water plays a detrimental role during investigations involving ionic liquids, and this role has been investigated via electrochemical studies in aqueous ionic liquid solutions. There are varying opinions regarding the influence of water on the physicochemical behaviour of ionic liquids that require an in-depth understanding. To eludicate the role of water, we attempted to evaluate the electrochemical performance of ionic liquids in water as a solvent, and the influence of water on ionic liquids was explored through feasibility and stability studies on carbene formed in an aqueous imidazolium-based ionic liquid solution. The electrochemical investigation of an aqueous solution of 1-ethyl-3-methylimidazolium ethylsulfate ([EMIM][EtSO4]) revealed a redox couple. Detailed investigations suggest that reduction of the imidazolium cation occurs at the C2 position, with subsequent formation of carbene. Furthermore, an anodic peak was found to be associated with the oxidation of carbene. The coulometric process associated with the anodic peaks indicated that the two-electron oxidation of carbene occurred. The stability of carbene in water was evaluated through the use of different protic and aprotic solvents. The hydrogen bond-forming ability of carbene with water seems to be responsible for its improved stability in water.

}, issn = {1463-9076}, doi = {10.1039/c9cp05033g}, author = {Jain, Preeti and Chaudhari, Vijay R. and Kumar, Anil} } @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 {46325, title = {Whole proteome analysis of GA(3) response at panicle stage in Grape (Vitis vinifera) CV. Thompson seedless}, journal = {Journal of Plant Growth Regulation}, year = {2019}, month = {OCT}, type = {Article; Early Access}, abstract = {

Rachis elongation is a crucial process in producing good quality table grapes. In compact clustered grape variety like Thompson Seedless, treating the flower panicles with a mild dose of GA(3) results in loose clusters. We sprayed GA(3) on Thompson Seedless panicles immediately after emergence, and the samples were collected at 6 h and 24 h after application. Whole proteome analysis revealed significant differential expression of 530 proteins of the total 1288 expressed proteins at two time-points. GO term enrichment analysis revealed enrichment of GO terms related to translation, biosynthetic processes, and photosynthesis in GA(3)-treated samples. As the process of rachis elongation requires enhanced carbon metabolism and accumulation of sugars through the expansion of phloem area, we attribute this to the overexpression of several proteins involved in these processes. Significantly highly expressed proteins also belonged to biological processes like the generation of precursor metabolites, cellular protein metabolic processes, response to abiotic stimulus, and protein metabolic processes. This study might be the first of its kind in deciphering the contribution of a different group of proteins during rachis elongation as an early response to GA(3) application in seedless grapes. These results provide quality information on various physiological and biochemical changes occurring during early stages of rachis elongation.

}, keywords = {Bunch architecture, Gibberellic acid, Proteome, Rachis elongation, Vitis vinifera}, issn = {0721-7595}, doi = {10.1007/s00344-019-10041-y}, author = {Maske, Smita and Upadhyay, Anuradha and Jogaiha, Satisha and Patil, Sucheta S. and Kadoo, Narendra Y. and Gupta, Vidya S.} } @article {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 {47142, title = {Adsorption of heavy metal on active carbon derived from coconut leaves agro-waste}, journal = {Chemistry \& Chemical Technology}, volume = {14}, year = {2020}, month = {JAN}, pages = {553-562}, type = {Article}, abstract = {

In this paper activated carbon is prepared from coconut leaves by chemical activation during slow pyrolysis at 673 K in an inert atmosphere. Activated carbon is prepared in the stiochiometric ratio of 1:1 (CL1), 2:1 (CL2) and 3:1 (CL3). Optimized 3:1 ratio is preferable for further study. BET surface area of CL3 activated carbon was found 1060.57 m2/g. It is greater than those of CL1 and CL2. The batch sorption study experiments were conducted with respect to solute concentration of 2.5{\textendash}122.8 mg/l and solution temperature of 313{\textendash}343 K. The Langmuir, Freundlich and Temkin isotherm studies were conducted. The experimental data fitted very well for the pseudo-first order and pseudo-second-order. The results have established good potentiality for the CL3 activated carbon to be used as a sorbent for the removal of lead from wastewater.

}, doi = {10.23939/chcht14.04.553}, author = {Jadhav, Abhijit and Mohanraj, Govindaraj and Mayadevi, Suseeladevi and Gokarn, Ashok} } @article {46800, title = {Agro-waste extracted cellulose supported silver phosphate nanostructures as a green photocatalyst for improved photodegradation of RhB dye and industrial fertilizer effluents}, journal = {Nanoscale Advances}, volume = {2}, year = {2020}, month = {JUL }, pages = {2870-2884}, type = {Article}, abstract = {

The efficiency and reusability of photocatalysts are the dominant factors for their pragmatic use. The visible light induced semiconductor silver phosphate is a superior photocatalyst effective under visible light but its stability is still an undiscussed issue. To overcome this stability issue in this present manuscript, eco-friendly agro-waste extracted cellulose supported silver phosphate nanostructures have been designed for the first time through a simple chemical process. At first, silver phosphate nanostructures were synthesized by the co-precipitation method. Then, different weights of cellulose were added to the silver nitrate solution to form cellulose supported silver phosphate nanostructures. The photodegradation efficiency for each weight ratio was examined in which the photocatalyst Ag-8 nanostructures showed a high rate (0.024 min(-1)) for degradation of Rhodamine B (RhB) using a low intensity tungsten bulb. Real sample analysis has also been carried out using this photocatalyst for the degradation of industrial fertilizer effluents. The degradation rate of all the nanostructures was found to be high in comparison to pristine silver phosphate as well as the extracted bare cellulose. The photocatalytic activity is enhanced because of the participation of cellulose as a support which makes an interface for silver phosphate and assists it in delaying the charge recombination period under visible light. To understand the photochemical reaction of electrons and holes, scavenger studies were also performed.

}, issn = {2516-0230}, doi = {10.1039/dOna00181c}, author = {Dwivedi, Pravin K. and Nair, Aathira and Mehare, Rupali S. and Chaturvedi, Vikash and Joshi, Kavita and Shelke, V. Manjusha} } @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 {46721, title = {Bioinspired synthesis of multifunctional silver nanoparticles for enhanced antimicrobial and catalytic applications with tailored SPR properties}, journal = {Materials Today Chemistry}, volume = {17}, year = {2020}, month = {SEP}, pages = {100285}, type = {Article}, abstract = {

In the developing nanotechnology world, numerous attempts have been made to prepare the nobel metallic nanoparticles (NPs), which can improve their applicability in diverse fields. In the present work, the biosynthesis of silver (Ag) NPs has been successfully achieved through the medicinal plant extract (PE) of G. resinifera and effectively used for the catalytic and antibacterial applications. The size dependant tuneable surface plasmon resonance (SPR) properties attained through altering precursor concentrations. The X-ray and selected area diffraction pattern for Ag NPs revealed the high crystalline nature of pure Ag NPs with dominant (111) phase. The high-resolution TEM images show the nonspherical shape of NPs shifting from spherical, hexagonal to triangular, with wide particle size distribution ranging from 13 to 44 nm. Accordingly, the dual-band SPR spectrum is situated in the UV-Vis spectra validating the non-spherical shape of Ag NPs. The functional group present on the Ag NPs surface was analysed by FT-IR confirms the capping and reducing ability of methanolic PE G. resinifera. Further, the mechanism of antimicrobial activity studied using electron microscope showed the morphological changes with destructed cell walls of E. coli NCIM 2931 and S. aureus NCIM 5021 cells, when they treated with Ag NPs. The Ag NPs were more effective against S. aureus and E. coli with MIC 128 mu g/ml as compared to P. aeruginosa NCIM 5029 with MIC 256 mu g/ml. Apart from this, the reduction of toxic organic pollutant 4-NP to 4-AP within 20 min reveals the excellent catalytic activity of Ag NPs with rate constant k = 15.69 s(-1). (C) 2020 Elsevier Ltd. All rights reserved.

}, keywords = {Ag NPs, Antibacterial, Catalytic activity, Gardenia resinifera, surface plasmon resonance}, issn = {2468-5194}, doi = {10.1016/j.mtchem.2020.100285}, author = {Parit, S. B. and Karade, V. C. and Patil, R. B. and Pawar, V. N. and Dhavale, R. P. and Tawre, M. and Pardesi, K. and Jadhav, U. U. and Dawkar, V. V. and Tanpure, R. S. and Kim, J. H. and Jadhav, J. P. and Chougale, A. D.} } @article {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.} } @inbook {47326, title = {Chapter 9. continuous flow synthesis of nanomaterials}, booktitle = {Flow Chemistry }, year = {2020}, pages = {316-339}, publisher = {RSC}, organization = {RSC}, abstract = {

Continuous flow synthesis of nanoparticles is now a well-accepted and reliable synthesis approach that gives consistent product properties. This chapter aims to do a critical analysis of the recent work in some of the relevant areas and gives specific recommendations where flow synthesis of nanomaterials can be realized as a reliable manufacturing process. The chapter also highlights the typical engineering issues that one needs to consider while transforming a batch synthesis protocol into continuous mode and its scale-up.

}, doi = {10.1039/9781788016094-00316}, author = {Kulkarni, Amol A. and Jundale, Rajashri B.} } @article {46816, title = {Combinatorial approach through in vitro regeneration and phytochemical profiling of ceropegia media (huber) ans.: a potential way forward in the conservation of an endangered medicinal plant from the western ghats in India}, journal = {Journal of Plant Growth Regulation}, year = {2020}, month = {JUN }, type = {Article; Early Access 2020}, abstract = {

Ceropegia mediais an endemic and endangered plant as its propagation through seeds is unreliable due to low germination, slow growth and seedling decay under natural conditions. Also, tubers of this plant are edible serving as carbohydrate source with medicinal values leading to severe population decline in the natural habitat. To provide a sustainable solution, an efficient in vitro propagation protocol along with phytochemical profiling was developed forC. media. Callus cultures were induced from seedling and wild leaf tissues using the most effective Murashige and Skoog{\textquoteright}s (MS) medium with 2,4-dichlorophenoxyacetic acid (2,4-D; 2 mu M) and sucrose (3\%). Somatic embryos were acquired on MS medium with 1 mu M 6-Benzylaminopurine (BAP) and 1 mu M 2,4-D. Conversion into plantlets was attained only from tissue culture-derived seedling leaf (TCDSL) explant. Further, in vitro tuberization was achieved from TCDSL callus with BAP and Naphthalene acetic acid (NAA). AgNO(3)as an elicitor had a positive effect on both fresh and dry weights of callus. Successful acclimatization (58\%) was attained after two months resulting in normal phenotype in pots. Further, metabolite profiles of ten different tissues from wild and in vitro plants were compared. Total 82 compounds comprising alkaloids, fatty acids, fatty acid ester, steroids, terpenes and hydrocarbons were identified. Overall, results suggested enhanced production of selected metabolites with in vitro propagation and AgNO3, alleviating the problem of unavailability of planting materials. Thus, the current study might offer potential ways for the conservation of such RED enlisted species asC. media. [GRAHICS]

}, keywords = {Ceropegia media, GC-MS, Microtuberization, Secondary metabolites, Silver nitrate, somatic embryogenesis}, issn = {0721-7595}, doi = {10.1007/s00344-020-10173-6, Early Access Date = JUN 2020}, author = {Pandey, Meena and Dholakia, Bhushan B. and Jayaramaiah, Ramesha H. and Punekar, Sachin A. and Giri, Ashok P.} } @inbook {47145, title = {Continuous Flow Synthesis of Nanomaterials}, booktitle = {Continuous Flow Synthesis of Nanomaterials}, volume = {62}, number = {RSC Green Chemistry Series}, year = {2020}, pages = {316-339}, publisher = {Royal Society of Chemistry}, organization = {Royal Society of Chemistry}, author = {Kulkarni, Amol A. and Jundale, R. B.} } @article {46480, title = {Degradation of metaldehyde in aqueous solution by nano-sized photocatalysts and granular activated carbon}, journal = {Journal of Nanoscience and Nanotechnology }, volume = {20}, year = {2020}, month = {July }, pages = {4505-4508}, type = {Article}, abstract = {

Metaldehyde has been detected in drinking water system in relatively high concentration exceeding European water quality standard. In order to address this problem, the aim of this project was to treat metaldehyde aqueous solution by advanced oxidation processes (AOPs) and granular activated carbon (GAC) column. Ten novel materials were tested for degradation rates of metaldehyde under ultraviolet light irradiation (UVC). For treatment of 1 mg/L metaldehyde solution by AOPs, the highest degradation rate is 16.59\% under UVC light with the aid of nitrogen doped titanium dioxide coated graphene (NTiO2/Gr). Furthermore, 0.5 mg/L is the optimal concentration for degradation of metaldehyde with N-TiO2/Gr under UVC light. Apart from that, the lifetime of GAC column could be elongated on condition that metaldehyde has been treated by AOPs previously. Hence, combination of AOPs and GAC column is promising in treating water containing metaldehyde.

}, doi = {10.1166/jnn.2020.17595}, author = {Kim, Jong Kyu and Jiang, Tingting and Li, Zhoujun and Mayadevi, Suseeladevi and Bharat, Kale and Joo, Jin Chul and Campos, Luiza Cintra} } @article {46869, title = {Discovery of potential multi-target-directed ligands by targeting host-specific SARS-CoV-2 structurally conserved main protease}, journal = {Journal of Biomolecular Structure \& Dynamics}, year = {2020}, month = {MAY}, type = {Article; Early Access 2020}, abstract = {

Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) infection has resulted in the current COVID-19 pandemic. Worldwide this disease has infected over 2.5 million individuals with a mortality rate ranging from 5 to 10\%. There are several efforts going on in the drug discovery to control the SARS-CoV-2 viral infection. The main protease (M-Pro) plays a critical role in viral replication and maturation, thus can serve as the primary drug target. To understand the structural evolution of M-Pro, we have performed phylogenetic and Sequence Similarity Network analysis, that depicted divergence of Coronaviridae M-Pro in five clusters specific to viral hosts. This clustering was corroborated with the comparison of M-Pro structures. Furthermore, it has been observed that backbone and binding site conformations are conserved despite variation in some of the residues. These attributes can be exploited to repurpose available viral protease inhibitors against SARS-CoV-2 M-Pro. In agreement with this, we performed screening of similar to 7100 molecules including active ingredients present in the Ayurvedic anti-tussive medicines, anti-viral phytochemicals and synthetic anti-virals against SARS-CoV-2 M-Pro as the primary target. We identified several natural molecules like delta-viniferin, myricitrin, taiwanhomoflavone A, lactucopicrin 15-oxalate, nympholide A, afzelin, biorobin, hesperidin and phyllaemblicin B that strongly binds to SARS-CoV-2 M-Pro. Intrestingly, these molecules also showed strong binding with other potential targets of SARS-CoV-2 infection like viral receptor human angiotensin-converting enzyme 2 (hACE-2) and RNA dependent RNA polymerase (RdRp). We anticipate that our approach for identification of multi-target-directed ligand will provide new avenues for drug discovery against SARS-CoV-2 infection. Communicated by Ramaswamy H. Sarma

}, keywords = {Coronavirus, COVID-19, hACE-2, MPro, multi-target-directed ligand, protease inhibitor, RdRp, SARS-CoV-2 virus}, issn = {0739-1102}, doi = {10.1080/07391102.2020.1760137, Early Access Date = MAY 2020}, author = {Joshi, Rakesh S. and Jagdale, Shounak S. and Bansode, Sneha B. and Shankar, S. Shiva and Tellis, Meenakshi B. and Pandya, Vaibhav Kumar and Chugh, Anita and Giri, Ashok P. and Kulkarni, Mahesh J.} } @article {46887, title = {Dual responsive cellulose microspheres with high solid-state fluorescence emission}, journal = {Colloids and Surfaces A-Physicochemical and Engineering Aspects}, volume = {591}, year = {2020}, month = {APR}, pages = {124510}, type = {Article}, abstract = {

Materials that respond to multiple stimuli such as magnetic field and light are attractive for security and medical diagnostic applications. One of the major challenges in dual functional microspheres is that the presence of magnetic nanoparticles can quench fluorescence emission. Also, there is a probability of solid-state quenching due to the proximity of the fluorophore. We report here a facile approach to prepare cellulose microspheres with high solid-state fluorescence using 40 \% tetrabutylammonium hydroxide (TBAH). The fluorescence quenching effect due to the presence of Fe3O4 nanoparticles and solid-state quenching due to aggregation of fluorophore was systematically investigated. Microspheres with the detectable magnetic response and fluorescence quantum yield as high as 0.57 (FMB 414) was obtained by optimizing the reaction conditions. Such a high quantum yield has not been reported before for dual stimuli-responsive fluorescent microspheres. The magnetic and fluorescent properties were found to be durable even after multiple washing cycles. These dual responsive cellulose microspheres can be added as security features to authenticate documents such as passports, degree certificates, currency notes, financial documents etc.

}, keywords = {Fluorescent, Magnetic, Microcrystalline cellulose, microspheres, Stimuli responsive microspheres, Tetrabutylammonium hydroxide}, issn = {0927-7757}, doi = {10.1016/j.colsurfa.2020.124510}, author = {Yadav, Prashant and Prajitha, K. P. and Dhaware, Vinita and Subramani, Mohan and Joy, Pattayil and Asha, S. K. and Shanmuganathan, Kadhiravan} } @article {46923, title = {Dynamics in amine-functionalized mesoporous hybrid materials probed through deuterium magic angle spinning NMR and molecular dynamic simulations}, journal = {Journal of Physical Chemistry C}, volume = {124}, year = {2020}, month = {MAR}, pages = {6154-6170}, type = {Article}, abstract = {

We present a deuterium magic angle spinning (MAS) NMR study on two widely used hybrid materials (3-glycidyloxy propyl)trimethoxysilane (3-GPTMS) and 3-(trimethoxysilyl)propyl methacrylate (3-MATMS) grafted on SBA-15. Methylene-deuterated diamine as a pendent group is anchored to GPTMS (O3Si-CH2-CH2-CH2-O-CH2-CH(OH)- CH2-NH-CD2-CD2-NH2) and MATMS (O3Si-CH2-CH2-CH2-O-C(N-CD2-CD2-NH2)-C(CH3)=-CH2) postgrafting. Proton and deuterium solid state NMR experiments under MAS were performed at two hydration levels and temperatures ranging from 253 to 315 K. Deuterium spectra were deconvoluted into three A Dr, components with different average quadrupolar parameters: a relatively rigid component arising from local or librational motion of C-H-2(2) corresponding to {\textquoteleft}{\textquoteleft}small angle{\textquoteright}{\textquoteright} jumps, an intermediate dynamic component, and a large amplitude dynamic component. Population ratios of rigid versus dynamic components show that diamine-MATMS is more rigid when compared with diamine-GPTMS at high hydration. The role of the length of the linkers, steric hindrance, grafting concentration, etc. in defining mobility is investigated. Finally, by correlating proton and deuterium MAS NMR spectral analysis, the role of a few water molecules in inducing dynamics of the linkers was investigated. Molecular dynamic (MD) simulations support the experimental analysis. MD simulations indicate different types of mobility arising from the same molecular binding configuration of diamine-MATMS. Dynamics induced by a few hydroxyls on the pore surface accessible to the linker, various molecular conformations, and stabilization of the linker through hydrogen bonding with the surface, derived from MD simulations, are discussed.

}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.9b11948}, author = {Veena, V. S. and Kavya, I and Lazar, A. and Vinod, C. P. and Ajithkumar, T. G. and Jayanthi, S.} } @article {46988, title = {Early metastable assembly during the stress-induced formation of worm-like amyloid fibrils of nucleic acid binding domains of TDP-43}, journal = {Biochemistry}, volume = {59}, year = {2020}, month = {JAN}, pages = {315-328}, type = {Article}, abstract = {

TDP-43 protein travels between the cytosol and the nucleus to perform its nucleic acid binding functions through its two tandem RNA recognition motif domains (TDP-43(tRRM)). When exposed to various environmental stresses, it forms abnormal aggregates in the cytosol of neurons, which are the hallmarks of amyotrophic lateral sclerosis and other TDP-43 proteinopathies. However, the nature of early structural changes upon stress sensing and the consequent steps during the course of aggregation are not well understood. In this study, we show that under low-pH conditions, mimicking starvation stress, TDP-43(tRRm) undergoes a conformational opening reaction linked to the protonation of buried ionizable residues and grows into a metastable oligomeric assembly (called the {\textquoteleft}{\textquoteleft}low-pH form{\textquoteright}{\textquoteright} or the {\textquoteleft}{\textquoteleft}L form{\textquoteright}{\textquoteright}). In the L form, the protein molecules have disrupted tertiary structure, solvent-exposed hydrophobic patches, and mobile side chains but the native-like secondary structure remains intact. The L form structure is held by weak interactions and has a steep dependence on ionic strength. In the presence of as little as 15 mM KCl, it fully misfolds and further oligomerizes to form a beta-sheet rich {\textquoteleft}{\textquoteleft}beta form{\textquoteright}{\textquoteright} in at least two distinct steps. The beta form has an ordered, stable structure that resembles worm-like amyloid fibrils. The unstructured regions of the protein gain structure during L (sic) beta conversion. Our results suggest that TDP-43(tRRm) could function as a stress sensor and support a recent model in which stress sensing during neurodegeneration occurs by assembly of proteins into metastable assemblies that are precursors to the solid aggregates.

}, issn = {0006-2960}, doi = {10.1021/acs.biochem.9b00780}, author = {Pillai, Meenakshi and Jha, Santosh Kumar} } @article {46690, title = {Effect of solvent-substrate noncovalent interactions on the diastereoselectivity in the intramolecular carbonyl-ene and the staudinger [2+2] cycloaddition reactions}, journal = {Journal of Physical Chemistry A}, volume = {124}, year = {2020}, month = {OCT }, pages = {8019-8028}, type = {Article}, abstract = {

Noncovalent interactions (NCIs) have been identified as important contributing factors for determining selectivity in organic transformations. However, cases where NCIs between solvents and substrates are responsible for a major extent for determining selectivity are rare. The current computational study with density functional theory identifies two important transformations where this is the case: the intramolecular carbonyl-ene reaction and the Staudinger [2 + 2] cycloaddition reaction. In both cases, the role of explicit solvent molecules interacting non-covalently with the substrate has been taken into account. Calculations indicate that the diastereomeric ratio would be 95.0:5.0 for the formation of tricyclic tetrahydrofuran diastereomers via the intramolecular carbonyl-ene reaction and 94.0:6.0 for the formation of the triflone diastereomers via the Staudinger [2 + 2] cycloaddition reaction, which corroborates with the experiment. Interestingly, in both the cases, the calculations indicate that noninclusion of explicit solvent molecules would lead to only a small difference between the competing transition states, which leads to the conclusion that solvent-substrate NCIs are the major cause for diastereoselectivity in both the cases considered.

}, issn = {1089-5639}, doi = {10.1021/acs.jpca.0c05738}, author = {Jain, Shailja and Vanka, Kumar} } @article {46615, title = {Effect of tert-alcohol functional imidazolium salts on oligomerization and fibrillization of amyloid beta (1-42) peptide}, journal = {Biophysical Chemistry}, volume = {267}, year = {2020}, month = {DEC}, pages = {106480}, type = {Article}, abstract = {

Imidazolium based IL{\textquoteright}s has gained vast interest in developing biological applications. Oligomerization and fibrillization of amyloid beta (1-42) peptide are mainly responsible for the extra-neuronal deposition of amyloid fibrils in neurodegenerative disorders like Alzheimer{\textquoteright}s disease (AD). Here, we report an effect of tert-BuOH-functional imidazolium ILs on oligomerization and fibrillization of amyloid beta (1-42) Peptide in vitro. In this study, a series of these [alkyl-(t)OHim][OMs] ILs with methyl sulphonate counter anion by varying alkyl chains were used. Among the seven protic ILs, four showed strong binding and inhibition activity for the formation of amyloid beta (1-42) aggregation by using Thioflavin T fluorescence binding assay. The secondary structural analysis of the peptide, pre-incubated with active ILs shows the loss of ordered beta-sheet amyloid structure. The longer alkyl chain ILs showed that an increased in amyloid binding and hence an inhibition effect on amyloid aggregation was enhanced. Thus, we propose that ILs could be presented as potential candidates for therapeutic intervention against Alzheimer{\textquoteright}s disease (AD).

}, keywords = {Aggregation, Amyloid beta (1-42) peptide, Biofilm inhibitor, Imidazolium ionic liquid}, issn = {0301-4622}, doi = {10.1016/j.bpc.2020.106480}, author = {Said, Madhukar S. and Navale, Govinda R. and Yadav, Ashok and Khonde, Nilesh and Shinde, Sandip S. and Jha, Anjali} } @article {46713, title = {Efficient method for the synthesis of quinoxaline derivatives catalyzed by titanium silicate-1}, journal = {Research on Chemical Intermediates}, volume = {46}, year = {2020}, month = {DEC}, pages = {5219-5230}, type = {Article}, abstract = {

A series of quinoxaline derivatives were efficiently synthesized by convenient and simple procedure in excellent yields using 1 wt.\% of titanium silicate (TS-1) catalyzed reaction of 1,2-diamines and 1,2-diketones in methanol at room temperature. This reaction is scalable to multigram scale and the catalyst is recyclable. [GRAPHICS] .

}, keywords = {2-Diketones, Aromatic 1, o-Phenylenediamine, Quinoxaline, Room temperature, Titanium silicate-1}, issn = {0922-6168}, doi = {10.1007/s11164-020-04258-w, Early Access Date = SEP 2020}, author = {Chandrachood, Pranav S. and Jadhav, Amol R. and Garud, Dinesh R. and Deshpande, Nirmala R. and Puranik, Vedavati G. and Kashalkar, Rajashree V.} } @article {46965, title = {Efficient synthesis of gamma-valerolactone-a potential fuel from biomass derived levulinic acid using catalytic transfer hydrogenation over Hf@CCSO3H catalyst}, journal = {Catalysis Letters}, volume = {150}, year = {2020}, month = {JUL}, pages = {2038-2044}, type = {Article}, abstract = {

A new hafnium based carbonaceous catalyst (Hf@CCSO3H) was prepared by simultaneous carbonization and sulfonation of readily available glucose, followed by incorporation of hafnium metal on the surface of catalyst. The catalyst was well characterized using FT-IR, PXRD, EDX, SEM, C-13 CPNMR, XPS and BET analysis. The catalytic activity of Hf@CCSO3H was evaluated for synthesis of gamma-valerolactone-a potential fuel and green solvent. gamma-valerolactone was synthesized from biomass derived levulinic acid by catalytic transfer hydrogenation using 150 wt\% of catalyst at 200 celcius for 24 h in isopropanol solvent as a hydrogen donor. 100\% conversion of levulinic acid was achieved with an excellent yield of 96\% with more than 99\% selectivity of gamma-valerolactone as evident from GC analysis. The method developed is simple, efficient and economical. [GRAPHICS] .

}, keywords = {gamma-Valerolactone, Hydrogenation, levulinic acid, Transfer}, issn = {1011-372X}, doi = {10.1007/s10562-020-03119-w, Early Access Date = FEB 2020}, author = {Jori, Popat K. and Jadhav, Vrushali H.} } @article {46748, title = {Electrochemical evaluation of the stability and capacity of r-GO-wrapped copper antimony chalcogenide anode for Li-ion battery}, journal = {ChemElectroChem}, volume = {7}, year = {2020}, month = {AUG }, pages = {3291-3300}, type = {Article}, abstract = {

Poor cycling stability and capacity fade are primary concerns for next-generation anode materials for Li-ion batteries. In non-carbonaceous anode materials, alloying with Li leads to volume increase that affects practical applications, and increase in particle size, amorphization and reduced conductivity can all lead to a loss of performance. In this work, binary antimony sulfide (Sb2S3) and ternary copper antimony sulfide (CuSbS2) are synthesized by a convenient solvothermal process. These materials are used to study the Li-active/inactive concept, by incorporating Cu into Sb(2)S(3)forming CuSbS(2)wherein Cu is Li inactive whereas Sb is Li active. By direct comparison, we have shown that incorporating Cu into binary antimony sulfide (Sb2S3) resulting into ternary copper antimony sulfide (CuSbS2) addresses the problem of poor conductivity and capacity loss, as Cu provides conductivity leading to enhanced charge transfer and prevents Sb particle aggregation while charge-discharge by exhibiting spectator or diluent ion effect. The better performance of CuSbS(2)is associated with the better Li(+)ion diffusion in the CuSbS2(D=8.97x10(-15) cm(2) s(-1)) compared to Sb2S3(D=2.76x10(-15) cm(2) s(-1)) and lower series resistance of CuSbS2(R=4.70x10(5) omega) compared to Sb2S3(R=5.81x10(8) omega). We have also investigated the composite with the addition of rGO. The CuSbS2-rGO delivered a reversible capacity of 672 mAh g(-1)after 1000 cycles at 200 mA g(-1)which has shown best performance.

}, keywords = {Batteries, chalcogenides, Diffusion coefficient, lithium, Ternary sulfides}, issn = {2196-0216}, doi = {10.1002/celc.202000625}, author = {Yadav, Poonam and Sharma, Neha and Patrike, Apurva and Sabri, Ylias M. and Jones, Lathe A. and Shelke, V. Manjusha} } @article {46799, title = {Electrochemical performance of pre-lithiated ZnMoO4 and r-GO@ZnMoO4 composite anode for lithium-ion battery application}, journal = {Journal of the Taiwan Institute of Chemical Engineers}, volume = {112}, year = {2020}, month = {JUL}, pages = {60-66}, type = {Article}, abstract = {

Exploring a safer replacement of Li metal anode is crucial for technological, and fundamental importance. Li-metal is a preferred choice as anode material for lithium-ion battery (LIB) applications. However, parasitic dendritic growth on the Li metal surface during cycling causes instability and safety dreads. In the present study, we have investigated that the pre-lithiated ZnMoO4 is superior to its carbon-based counterparts (r-GO@ZnMoO4), moreover safer and sustainable than Li metal anode. The pre-lithiated ZnMoO4 delivers a better reversible capacity (similar to 1000 mAhg(-1) at 0.1 Ag-1), superior rate capability (similar to 400 mAh g(-1) at 2 Ag-1), and excellent cycling stability over 300 cycles at 0.1 Ag-1, as compared to bare ZnMoO4 and r-GO@ZnMoO4 composite. The present investigation is an attempt to provide a substitute for commonly used Li-metal/carbon anodes with better performance. (C) 2020 Taiwan Institute of Chemical Engineers. Published by Elsevier B.V. All rights reserved.

}, keywords = {Cycling stability, Electrochemistry, Li-ion battery, Nyquist plot, Rate performance, ZnMoO4 nanocomposites}, issn = {1876-1070}, doi = {10.1016/j.jtice.2020.07.009}, author = {Bin Masood, Khalid and Parte, Golu and Jain, Neha and Dwivedi, Pravin K. and Kumar, Pushpendra and Shelke, V, Manjusha and Patel, Rp and Singh, Jai} } @article {46813, title = {Electronic structure evolution of Pd@Co nanocatalysts under oxidation and reduction conditions and preferential CO oxidation}, journal = {ChemCatChem}, volume = {12}, year = {2020}, month = {AUG }, pages = {4176-4184}, type = {Article}, abstract = {

Herein, we present the surface electronic structure and morphological evolution under reduction and oxidation conditions for Pd@Co (PC) core-shell nanoparticles with different Pd : Co ratio (PC=2 : 1, 1 : 1 and 1 : 2). Extensive measurements have been made with NAPXPS (near ambient pressure x-ray photoelectron spectroscopy) under oxidising and reducing conditions, and ex-situ HRTEM. It has been demonstrated that PC catalysts are thermally stable towards morphological changes, at least up to 575 K. Nonetheless, it shows a significant surface electronic structure changes under reaction environments, which are highly relevant to heterogeneous catalysis. As expected, high (low) population of metallic (oxidised) Co was observed, while retaining core shell structure under reduction (H(2)and vacuum annealing) environment. Interestingly, the Pd-Co metallic interface helps to overcome the pyrophoric nature of cobalt and stabilised a significant amount of metallic Co at Pd-Co interface even in the presence of 0.1 mbar O(2)up to 575 K. The presence of Pd-Co and Pd-Co@Co(3)O(4)interfaces in reaction environment makes the catalyst dual functional. The proof of concept has been explored in terms of oxidation of CO in the presence of H(2)or O-2.

}, keywords = {Core-Shell morphology, Electronic Structure, heterogeneous catalysis, interface, XPS}, issn = {1867-3880}, doi = {10.1002/cctc.202000644, Early Access Date = JUN 2020}, author = {Jain, Ruchi and Gopinath, Chinnakonda S.} } @article {46900, title = {Electrospun fibers and sorbents as a possible basis for effective composite wound dressings}, journal = {Micromachines}, volume = {11}, year = {2020}, month = {APR}, pages = {441}, type = {Article}, abstract = {

Skin burns and ulcers are considered hard-to-heal wounds due to their high infection risk. For this reason, designing new options for wound dressings is a growing need. The objective of this work is to investigate the properties of poly (epsilon-caprolactone)/poly (vinyl-pyrrolidone) (PCL/PVP) microfibers produced via electrospinning along with sorbents loaded with Argovit (TM) silver nanoparticles (Ag-Si/Al2O3) as constituent components for composite wound dressings. The physicochemical properties of the fibers and sorbents were characterized using scanning electron microscopy (SEM), differential scanning calorimetry (DSC), Fourier transform infrared spectroscopy (FTIR) and inductively coupled plasma optical emission spectroscopy (ICP-OES). The mechanical properties of the fibers were also evaluated. The results of this work showed that the tested fibrous scaffolds have melting temperatures suitable for wound dressings design (58-60 degrees C). In addition, they demonstrated to be stable even after seven days in physiological solution, showing no macroscopic damage due to PVP release at the microscopic scale. Pelletized sorbents with the higher particle size demonstrated to have the best water uptake capabilities. Both, fibers and sorbents showed antimicrobial activity against Gram-negative bacteria Pseudomona aeruginosa and Escherichia coli, Gram-positive Staphylococcus aureus and the fungus Candida albicans. The best physicochemical properties were obtained with a scaffold produced with a PCL/PVP ratio of 85:15, this polymeric scaffold demonstrated the most antimicrobial activity without affecting the cell viability of human fibroblast. Pelletized Ag/Si-Al2O3-3 sorbent possessed the best water uptake capability and the higher antimicrobial activity, over time between all the sorbents tested. The combination of PCL/PVP 85:15 microfibers with the chosen Ag/Si-Al2O3-3 sorbent will be used in the following work for creation of wound dressings possessing exudate retention, biocompatibility and antimicrobial activity.

}, keywords = {electrospinning, poly (epsilon-caprolactone), poly (vinyl pyrrolidone), silver sorbents, wound dressings}, doi = {10.3390/mi11040441}, author = {Saul Alvarez-Suarez, Alan and Dastager, Syed G. and Bogdanchikova, Nina and Grande, Daniel and Pestryakov, Alexey and Carlos Garcia-Ramos, Juan and Lizeth Perez-Gonzalez, Graciela and Juarez-Moreno, Karla and Toledano-Magana, Yanis and Smolentseva, Elena and Antonio Paz-Gonzalez, Juan and Popova, Tatiana and Rachkovskaya, Lyubov and Nimaev, Vadim and Kotlyarova, Anastasia and Korolev, Maksim and Letyagin, Andrey and Jesus Villarreal-Gomez, Luis} } @article {46821, title = {Electrospun nanofibers of Tin phosphide (SnP0.94) nanoparticles encapsulated in a carbon matrix: a tunable conversion-cum-alloying lithium storage anode}, journal = {Energy \& Fuels}, volume = {34}, year = {2020}, month = {JUN}, pages = {7648-7657}, type = {Article; Proceedings Paper}, abstract = {

Anodes with improved Li storage capability are required for next-generation lithium batteries. In this work we report a convenient synthesis strategy, based on electrospinning followed by reduction and phosphorization, to prepare a tin phosphide (SnP0.94) phase in a carbon nanofiber matrix. The layered structure offered by the SnP0.94 phase, along with its small size (5-20 nm) encapsulated in the conducting carbon matrix, leads to promising electrochemical Li storage characteristics. This composite has a capacity of 750 mAh g(-1) at 100 mA g(-1) with good cycling and rate stability. Electrochemical studies revealed a faster diffusion coefficient (1.86 x 10(-11) cm(2) s(-1)) for Li in the composite compared to the bare SnP0.94 (8.57 x 10(-14) cm(2) s(-1)), confirming the promise of this class of materials for cation storage in battery anodes.

}, issn = {0887-0624}, doi = {10.1021/acs.energyfuels.0c01046}, author = {Yadav, Poonam and Malik, Wahid and Dwivedi, Pravin Kumari and Jones, Lathe A. and Shelke, Manjusha V.} } @article {46747, title = {Elucidating the effect of CaF 2 on structure, biocompatibility and antibacterial properties of S53P4 glass}, journal = {Journal of Alloys and Compounds}, volume = {831}, year = {2020}, month = {AUG }, pages = {154704}, type = {Article}, abstract = {

The present work focuses on the synthesis and structural elucidation of fluoride containing bioactive glasses in the system (in mol\%) given by (53.86) SiO2\ {\textendash} (22.65) Na2O {\textendash} (21.77-x) CaO {\textendash} (1.72) P2O5\ {\textendash} x CaF2, where, x\ =\ 0, 5.44, 10.885 and 16.33. The role of the incorporated fluoride and its distribution within the glass were interpreted and analyzed using Molecular dynamics (MD) simulations and the results were compared with the modified random network (MRN) model. The interpretations from the model have been verified using the MAS-NMR spectroscopy technique. According to this model, fluoride containing bioactive glasses have been proposed to consist of silicate rich network regions and modifier cation {\textendash} fluoride rich inter-network regions. The interface region was found to consist of non-bridging oxygen species (NBO) and phosphate cations which are either isolated orthophosphates (Q0P) or bridged with silicates in the form of pyrophosphate (Q1P) units forming Si{\textendash}O{\textendash}P bonds. The gradual substitution of CaF2\ for CaO in the base glass resulted in an increase in the silicate network connectivity with a reduction in the NBOs and lead to an increase in the association of modifier cations with fluoride ions. However, fluoride ions were found to show a marginal preference to associate with Na+\ cations leading to a decrease in the association of Na+\ ions with orthophosphate and silicate units. These overall structural findings were correlated with the\ in\ vitro\ ion dissolution behaviour of the bioactive glasses as well as with the thermal properties. The glasses were tested for their\ in\ vitro\ cell viability towards mouse osteoblast type (MC3T3) cells in which fluoride containing bioactive glasses did not show any toxicity and exhibited better cell proliferation. The antibacterial efficacy of the fluoride containing glasses was tested at various concentrations (5, 10 and 20\ mg/ml) in\ E.coli\ bacterial inoculum in which bactericidal action was evidenced.

}, keywords = {Fluoride bioactive glasses, In~vitro apatite formation and bactericidal action, MAS-NMR spectroscopy, MD simulations}, issn = {0925-8388}, doi = {10.1016/j.jallcom.2020.154704}, author = {Prasad, Sakthi and Ganisetti, Sudheer and Jana, Anuradha and Kant, Shashi and Sinha, P. K. and Tripathy, Sucheta and Illath, Kavya and Ajithkumar, T. G. and Annapurna, K. and Allu, Amarnath R. and Biswas, Kaushik} } @article {46913, title = {Enolate-mediated regioselective synthesis of 1,2,3-triazoles via azide-aldehydes or ketones [3+2]-cycloaddition reactions in aqueous phase}, journal = {Tetrahedron Letters}, volume = {61}, year = {2020}, month = {MAR}, pages = {151662}, type = {Article}, abstract = {

A synthetic route for the direct conversion of arylazides into the corresponding trizoles via phase transfer catalyst-assisted [3+2] cycloaddition reaction under basic conditions in aqueous medium is reported. This synthetic methodology, which offers high yields and excellent regioselectivity for varieties of triazoles at 100 degrees C for 24 h-48 h and this {\textquoteleft}greener{\textquoteright} synthesis constitutes an alternative to the previously reported well established click reactions. Published by Elsevier Ltd.

}, keywords = {Azides plus aldehydes or ketones, Click chemistry, triazoles, Water}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2020.151662}, author = {Tripathi, Anupam and Rode, V, Chandrashekhar and Llop, Jordi and Chavan, Subhash P. and Joshi, Sameer M.} } @article {47325, title = {Evaluation of uttroside B, a saponin from Solanum nigrum Linn, as a promising chemotherapeutic agent against hepatocellular carcinoma (vol 6, 36318, 2016)}, journal = {Scientific Reports}, volume = {10}, year = {2020}, month = {NOV}, pages = {20431}, type = {Correction}, abstract = {

An amendment to this paper has been published and can be accessed via a link at the top of the paper.

}, issn = {2045-2322}, doi = {10.1038/s41598-020-77440-0}, author = {Nath, Lekshmi R. and Gorantla, Jaggaiah N. and Thulasidasan, Arun Kumar T. and Vijayakurup, Vinod and Shah, Shabna and Anwer, Shabna and Joseph, Sophia M. and Antony, Jayesh and Veena, Kollery Suresh and Sundaram, Sankar and Marelli, Udaya K. and Lankalapalli, Ravi S. and Anto, Ruby John} } @article {46673, title = {Expeditious and solvent-free nickel-catalyzed c-h arylation of arenes and indoles (vol 10, pg 2242, 2017)}, journal = {ChemSusChem}, volume = {13}, year = {2020}, month = {NOV }, pages = {5771}, type = {Correction}, keywords = {Arylation, C-H activation, heterocycles, Homogeneous catalysis, Nickel}, issn = {1864-5631}, doi = {10.1002/cssc.202002313, Early Access Date = OCT 2020}, author = {Jagtap, Rahul A. and Soni, Vineeta and Punji, Benudhar} } @article {46657, title = {Experimental analysis of vapour-liquid phase equilibria for binary systems of diethyl carbonate with methyl, ethyl, isopropyl, n-butyl and isoamyl acetates at 95 kPa}, journal = {Journal of Chemical Thermodynamics}, volume = {150}, year = {2020}, month = {NOV}, pages = {106189}, type = {Article}, abstract = {

Experimental analysis of vapour-liquid phase equilibrium (VLE) for five binary pairs of diethyl carbonate (DEC) with methyl acetate, ethyl acetate, isopropyl acetate, n-butyl acetate and isoamyl acetate was carried out in this study. VLE data were generated experimentally at local atmospheric pressure of 95 kPa in a glass dynamic recirculation still. Reliability of data was checked with the thermodynamic consistency tests by Van Ness, infinite dilution, pure component and mean absolute deviation test. Experimental data was found to be thermodynamically consistent with all tests and data was regressed with Wilson, NRTL and UNIQUAC activity coefficient models to determine binary interaction parameters. Binary pair of DEC with n-butyl acetate has shown azeotropic behaviour with minimum boiling azeotrope and a close boiling behaviour through-out the composition range. No azeotropic behaviour was observed for the rest of the binary pairs. (c) 2020 Elsevier Ltd.

}, keywords = {Diethyl carbonate, ethyl acetate, Isobaric, Isopropyl acetate, methyl acetate, VLE}, issn = {0021-9614}, doi = {10.1016/j.jct.2020.106189}, author = {Bhoi, Bharat R. and Mali, Nilesh A. and Joshi, Sunil S.} } @article {46801, title = {Experimental and theoretical investigations of the effect of heteroatom-doped carbon microsphere supports on the stability and storage capacity of nano-Co3O4 conversion anodes for application in lithium-ion batteries}, journal = {Nanoscale Advances}, volume = {2}, year = {2020}, month = {JUL }, pages = {2914-2924}, type = {Article}, abstract = {

Conversion-type anode materials have been intensely studied for application in Li-ion batteries (LIBs) due to their potentially higher capacities than current graphite-based anodes. This work reports the development of a high-capacity and stable anode from a nanocomposite of N and S co-doped carbon spheres (NSCSs) with Co3O4 (NSCS-Co3O4). A hydrothermal reaction of saccharose withl-cysteine was carried out, followed by its carbonization. CSs when used as supports for conversion-type materials provide efficient electron/ion transfer channels, enhancing the overall electrochemical performance of the electrodes. Additionally, the heteroatoms doped in a carbon matrix alter the electronic properties, often increasing the reactivity of the carbon surface, and they are reported to be effective for anchoring metal oxide nanoparticles. Consequently, the NSCS-Co3O4 nanocomposites developed in this work exhibit enhanced and stable reversible specific capacity over several cycles. Stable cycling behavior was observed at 1 A g(-1)with 1285 mA h g(-1) of specific capacity retained after 350 cycles along with more than 99\% of coulombic efficiency. This material shows excellent rate capability with a specific capacity of 745 mA h g(-1) retained even at a high current density of 5 A g(-1). Detailed DFT-based calculations revealed the role of doped supports in controlling the volume expansion upon lithiation.

}, issn = {2516-0230}, doi = {10.1039/dOna00261e}, author = {Dwivedi, Pravin K. and Nair, Aathira and Mehare, Rupali S. and Chaturvedi, Vikash and Joshi, Kavita and Shelke, V, Manjusha} } @article {46856, title = {Experimental vapor-liquid phase equilibrium analysis of the binary systems of aniline with xylene isomers at 93.13 kPa}, journal = {Journal of Chemical and Engineering Data}, volume = {65}, year = {2020}, month = {MAY}, pages = {2619-2624}, type = {Article}, abstract = {

In the present work, vapor-liquid phase equilibrium (VLE) analyses of binary systems of aniline with four isomers of xylene, comprising p-xylene, m-xylene, o-xylene, and ethylbenzene, are reported at 93.13 kPa. The experimental VLE data was generated in a dynamic circulating vapor-liquid, and the data was found thermodynamically consistent using the Van Ness point-to-point consistency test. The experimental VLE data was regressed with the Wilson, NRTL, and UNIQUAC activity coefficient models to obtain the binary interaction parameters. No azeotropic or close-boiling behavior was observed in any of the binary pair, and these pairs were found suitable for separation through a conventional distillation method.

}, issn = {0021-9568}, doi = {10.1021/acs.jced.0c00019}, author = {Yadav, Satyajeet S. and Mali, Nilesh A. and Joshi, Sunil S.} } @article {46870, title = {Exploring magnetic XY behavior in a quasi-2D anisotropic triangular lattice of Cu(II) by functionalized graphene}, journal = {Inorganic Chemistry}, volume = {59}, year = {2020}, month = {MAY }, pages = {6214-6219}, type = {Article}, abstract = {

Study on magnetism in two-dimensional (2D) spin-lattices is advancing rapidly. In this work, phase-pure botallackite (Bo) (Cu-2(OH)(3)Br), a quasi-2D S = 1/2 anisotropic triangular spin-lattice is stabilized over 2D reduced graphene oxide (rGO) nanosheets via simple oxidation-reduction reaction chemistry. In comparison to polycrystalline Bo, such an anchoring resulted in the oriented growth of Bo crystallites in the Bo-rGO system. The Bo-rGO nanocomposite was found to be magnetically active with a Neel transition at 8.9 K, crossing over to possible XY anisotropy at similar to 5 K-as revealed by complementary dc and ac susceptibility measurements-an unprecedented observation in the field assigned to an interfacial effect. This work demonstrates the potential usage of nonmagnetic 2D functionalized graphene to significantly modulate the magnetic properties of 2D spin-lattices.

}, issn = {0020-1669}, doi = {10.1021/acs.inorgchem.0c00315}, author = {Gupta, Kriti and Dadwal, Arun and Jha, Plawan Kumar and Jain, Anil and Yusuf, S. M. and Joy, Pattayil A. and Ballav, Nirmalya} } @article {46905, title = {Extractive distillation configuration for nitric acid dehydration using sulfuric acid as a solvent}, journal = {Industrial \& Engineering Chemistry Research}, volume = {59}, year = {2020}, month = {APR }, pages = {6183-6193}, type = {Article}, abstract = {

In this work, an extractive distillation configuration for dehydration of nitric acid is proposed with sulfuric acid as a solvent. Thermodynamic modeling of the vapor-liquid equilibrium of binary and ternary systems of nitric acid/water/sulfuric acid is carried out using the electrolyte non-random two-liquid (eNRTL-RK) thermodynamic property method in the Aspen plus process simulator. The model performance is validated by comparing the experimental data with the estimated data by the eNRTL-RK model and is found to be in good agreement. The thermodynamic model is then used for developing a triple-column extractive distillation sequence, comprising a preconcentration column, an extractive distillation column, and a solvent recovery column. The configuration is designed, simulated, and optimized to concentrate dilute nitric acid using sulfuric acid as a solvent to break the nitric acid-water azeotrope. The operating and structural parameters of the distillation configuration are optimized simultaneously with an objective of minimizing the energy consumption and the total annual cost (TAC) of the overall configuration.

}, issn = {0888-5885}, doi = {10.1021/acs.iecr.0c00052}, author = {Ghuge, Pravin D. and Mali, Nilesh A. and Joshi, Sunil S.} } @article {46638, title = {Generation of novelties in the genus Ocimum as a result of natural hybridization: a morphological, genetical and chemical appraisal}, journal = {Industrial Crops and Products}, volume = {156}, year = {2020}, month = {NOV}, pages = {112859}, type = {Article}, abstract = {

The genus Ocimum is a boutique of a diverse set of specialized metabolites such as terpenoids and phenylpropanoids. Each Ocimum species and its cultivars represent a characteristic chemical profile. The present study explored the two interspecific Ocimum hybrids originating through a serendipitous natural cross between O. kilimandscharicum and O. basilicum. These two novel Ocimum hybrids exhibited intermediate morphological features of two parental species. Inter simple sequence repeats (ISSR) analysis and DNA barcoding with the plastid non-coding trnH-psbA intergenic spacer region reaffirmed unambiguous parental identification and differentiation of these natural hybrids from other available Ocimum species. Consequently, gas chromatographymass spectrometry-based metabolite profiling of two hybrids identified them as specific chemotypes with the presence of a unique blend of specialized metabolites from the parental species, which are either rich in terpenes or phenylpropanoids. Additionally, expression analysis of key genes from terpenoid and phenylpropanoid pathways corroborated with differential metabolite accumulation. Thus, these two Ocimum hybrids represented the novel chemotypes, which could be useful in commercial cultivation to produce novel essential oil and bioactive constituents. Further, the resulting metabolite diversity could have potential industrial applications in the areas of healthcare, bioremediation, and crop protection.

}, keywords = {Chemotype, DNA barcoding, Inter Simple Sequence Repeats, Interspecific hybrid, O. basilicum, O. kilimandscharicum, Ocimum}, issn = {0926-6690}, doi = {10.1016/j.indcrop.2020.112859}, author = {Gurav, Tanuja P. and Jayaramaiah, Ramesha H. and Punekar, Sachin A. and Dholakia, Bhushan B. and Giri, Ashok P.} } @article {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 {46871, title = {Induction of somatic embryogenesis in leaf and root explants of Digitalis lanata Ehrh.: direct and indirect method}, journal = {South African Journal of Botany}, volume = {130}, year = {2020}, month = {MAY}, pages = {356-365}, type = {Article}, issn = {0254-6299}, doi = {10.1016/j.sajb.2020.01.012}, author = {Bhusare, B. P. and John, C. K. and Bhatt, V. P. and Nikam, T. D.} } @article {46714, title = {Integrating structurally perfect s=1/2 kagome-lattice with reduced graphene oxide}, journal = {Journal of Physical Chemistry C}, volume = {124}, year = {2020}, month = {SEP}, pages = {19753-19759}, type = {Article}, abstract = {

S = 1/2 kagome-lattice hydroxychlorides are promising candidates for realizing the elusive quantum spin liquid (QSL) state. Herbertsmithite [Cu3Zn(OH)(6)Cl-2], a naturally occurring hydroxychloride mineral from the class of atacamites {[Cu-4-xMx(OH)(6)X-2] where M = Zn, Cu, Co, Ni and X = Cl, Br, I}, is one of the most appealing systems to study the QSL state because of the presence of a structurally perfect S = 1/2 kagome-lattice. It is an electrical insulator. However, realizing phase-pure herbertsmithite without imposing harsh reaction conditions remained synthetically challenging. In this work, for the first time, we have synthesized phase-pure herbertsmithite as well as its structural analogue paratacamite, [ZnxCu4-x(OH)(6)Cl-2; 0.33 = x \< 1], at ambient reaction conditions. Furthermore, taking graphene oxide (GO) as an additional precursor in the reaction mixture, we have successfully integrated phase-pure crystallites of herbertsmithite (H) and paratacamite (P) with nanosheets of semiconducting and diamagnetic reduced graphene oxide (rGO) by in situ oxidation-reduction reaction. The isolated H-rGO and P-rGO systems were found to be magnetic semiconductors inheriting strong spin frustration from H and P, and semiconductivity from rGO. The H-rGO system in particular exhibited negative Seebeck coefficient (n-type semiconductor) with a thermoelectric power factor of 0.1 mu W center dot m(-1)center dot K-2 at 400 K. We anticipate the simple chemical principles outlined in this work to be useful for studying a variety of complex QSLs including electron doping. Also, semiconducting and rather unconventional materials of such metal oxochlorides with rGO isolated here need further exploration in view of thermoelectric applications.

}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.0c06564}, author = {Gupta, Kriti and Dadwal, Arun and Ninawe, Pranay and Joy, Pattayil A. and Ballav, Nirmalya} } @article {46939, title = {Intensified reactive distillation configurations for production of dimethyl ether}, journal = {Chemical Engineering and Processing-Process Intensification}, volume = {149}, year = {2020}, month = {MAR}, pages = {107824}, type = {Article}, abstract = {

The combustion properties of dimethyl ether (DME) are similar to the conventional fuels; hence it is being used as a promising green energy source. The conventional method of DME production by methanol dehydration is highly energy consuming due to the use of a series of distillation columns. In the present study, an energy efficient reactive distillation configuration is proposed for DME production which leads to higher methanol conversion with less energy requirement as compared to reported configurations. The reactive distillation (RD) and dual reaction zone reactive divided wall column (RDWC) were analyzed using steady state ASPEN simulations. Subsequently, all the design parameters were optimized by sensitivity analysis to minimize the Total Annual Cost (TAC) of the configuration. The results showed that the RD column is more energy efficient than RDWC as it requires 10.68 \% less TAC. The proposed RD and dual reaction zone RDWC configurations were found to have less specific energy requirements and less cost per kg of DME than any other configuration reported earlier.

}, keywords = {Energy efficient configuration, Reactive distillation, Reactive divided wall column, Total annual cost}, issn = {0255-2701}, doi = {10.1016/j.cep.2020.107824}, author = {Gor, Nikhil K. and Mali, Nilesh A. and Joshi, Sunil S.} } @article {46798, title = {Iron-catalyzed C(sp(2))-H alkylation of indolines and benzo[h]quinoline with unactivated alkyl chlorides through chelation assistance}, journal = {ACS Catalysis}, volume = {10}, year = {2020}, month = {JUL }, pages = {7312-7321}, type = {Article}, abstract = {

Regioselective C-H bond alkylation of indolines and benzo[h]quinoline with a wide range of unactivated and highly demanded primary and secondary alkyl chlorides is accomplished using a low-cost iron catalyst. This reaction tolerates diverse functionalities, such as C(sp(2))-Cl, fluoro, alkenyl, silyl, ether, thioether, pyrrolyl, and carbazolyl groups including cyclic and acyclic alkyls as well as alkyl-bearing fatty-alcohol and polycyclic-steroid moieties. The demonstrated iron-catalyzed protocol proceeded via either a five-membered or a six-membered metallacycle. Intriguingly, the C-7-alkylated indolines can be readily functionalized into free-NH indolines/indoles and tryptamine derivatives. A detailed mechanistic investigation highlights the participation of an active Fe(I) catalyst and the involvement of a halogen-atom transfer process via a single-electron-based mechanism. Deuterium labeling and kinetics analysis indicate that the C-H metalation of indoline is the probable turnover-limiting step. Overall, the experimental and theoretical studies supported an Fe(I)/Fe(III) pathway for the alkylation reaction comprising the two-step, one-electron oxidative addition of alkyl chloride.

}, keywords = {alkyl chlorides, Alkylation, C-H activation, chelation assistance, indolines, iron}, issn = {2155-5435}, doi = {10.1021/acscatal.0c02030}, author = {Jagtap, Rahul A. and Samal, Pragnya Paramita and Vinod, C. P. and Krishnamurty, Sailaja and Punji, Benudhar} } @proceedings {47328, title = {Magnetism in bimetallic NiII-CoII coordination polymer}, volume = {2265}, year = {2020}, month = {NOV}, publisher = {American Institute of Physics Inc.}, abstract = {

Co-BDC ([Co2(OH)2BDC], H2BDC = 1,4-benzenedicarboxylic acid) is known to possess metamagnetism originating from the antiparallel spins and high magneto crystalline anisotropy of Co(II).1\ Herein, we have introduced a bimetallic concept by incorporating Ni(II) along with Co(II) in the same coordination polymer to modulate the magneto crystalline anisotropy in the lattice which in turn, affects the overall magnetic response of the coordination polymer. The Curie-Weiss equation fit suggested antiparallel arrangement of the spins (θ ≈ -62.5 K) of Ni(II) and Co(II) arranged in alternate fashion. The cusp in magnetization was observed at 7 K (Tc) with a significant coercive field of \~{}750 Oe at 5 K.

}, doi = {10.1063/5.0017747}, author = {Gupta, Kriti and Dadwal, Arun and Joy, Pattayil and Ballav, Nirmalya} } @article {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 {46818, title = {MnBr2-catalyzed direct and site-selective alkylation of indoles and benzo[h]quinoline}, journal = {Organic Letters}, volume = {22}, year = {2020}, month = {JUN}, pages = {4643-4647}, type = {Article}, abstract = {

Manganese-catalyzed regioselective C-H alkylation of indoles and benzo[h]quinoline with a variety of unactivated alkyl iodides is reported. Unlike other Mn-catalyzed C-H functionalization, this protocol does not require a Grignard reagent base and employs a simple and inexpensive MnBr2 as a catalyst. This method tolerates diverse functionalities, including fluoro, chloro, bromo, iodo, alkenyl, alkynyl, pyrrolyl, and carbazolyl groups. The alkylation proceeds through a single-electron transfer pathway comprising reversible C-H manganesation and involving an alkyl radical intermediate.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.0c01398}, author = {Jagtap, Rahul A. and Verma, Suryadev K. and Punji, Benudhar} } @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 {46709, title = {Novel flow reactor for handling suspensions: hydrodynamics and performance evaluation}, journal = {Industrial \& Engineering Chemistry Research}, volume = {59}, year = {2020}, month = {SEP }, pages = {16462-16472}, type = {Article}, abstract = {

A novel reactor concept that can handle solid particles without any moving components in the reactor is proposed and demonstrated in this work. The proposed reactor is designed by arranging the unique shape cavities in a sequence where inlet and outlets are positioned off-center to each other at specific angles and distance. Detailed flow simulation suggested that cavities with diameter D, having aspect ratio H/D similar to 1.53, outlet (having a diameter of 0.2D) positioned at 0.3D from the center and at 180 degrees with reference to the inlet is suitable for the expected performance. The proposed geometry of the reactor with the optimal geometrical configuration was fabricated and hydrodynamics (viz. pressure drop, mass transfer, and heat transfer, and residence time distribution) were studied. The reactor also offered high mass transfer coefficients and is useful for liquid-liquid reactions and extraction. A variety of solid suspensions (glass particles, activated carbon, starch particles, magnesium hydroxide) were tested over a wide range of flow rates for checking the solid handling capability of the reactor. The neutralization reaction of NaOH (with dissolved a-naphthol) with concentrated HCl that results in almost instantaneous precipitation of a-naphthol from the solution is used as a test reaction for a range of a-naphthol concentrations to change the suspension loading. It is shown that the proposed reactor can handle up to 22\% (w/v) solid concentration without any clogging for a longer duration of the operation. However, for sticky solid particles, the same reactor would get clogged at the outlet ports for smaller diameters.

}, issn = {0888-5885}, doi = {10.1021/acs.iecr.9b06864}, author = {Sharma, Mrityunjay K. and Suru, Aditya and Joshi, Anuj and Kulkarni, Amol A.} } @article {46854, title = {Novel synthesis of 3-((benzo[d]thiazol-2-ylamino)(phenyl)methyl)-4-hydroxy-1-methylquinol in-2(1H)-one via consecutive C-C and C-N bond formation in water}, journal = {Research on Chemical Intermediates}, volume = {46}, year = {2020}, month = {AUG}, pages = {3801-3815}, type = {Article}, abstract = {

A simple, efficient, and eco-friendly protocol has been developed for the synthesis of novel 3-((benzo[d]thiazol-2-ylamino)(4-methoxyphenyl)methyl)-4-hydroxy-1-met hylquinolin-2(1H)-one derivatives using a one-pot C-C and C-N bond forming strategy from the reaction of 4-hydroxy-1-methylquinolin-2(1H)-one, 2-aminobenzothiazole and aromatic aldehydes in aqueous solvent without using any metal catalyst. Several advantages of this protocol include its operational simplicity, short reaction time, mild reaction condition, efficient utilization of all the reactants, wide functional group tolerance, using water as an environmentally friendly solvent and non-chromatographic purification procedure. [GRAPHICS] .

}, keywords = {4-Hydroxy-1-methylquinolin-2(1H)-one, Green solvent, Multicomponent reactions (MCRs), Quinolines, Thiazole}, issn = {0922-6168}, doi = {10.1007/s11164-020-04173-0, Early Access Date = MAY 2020}, author = {Yadav, Maruti B. and Vagh, Sandip S. and Jeong, Yeon Tae} } @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 {46901, title = {Particle size effect in different base fluids on the thermal conductivity of fatty acid coated magnetite nanofluids}, journal = {Journal of Molecular Liquids}, volume = {303}, year = {2020}, month = {APR }, pages = {112650}, type = {Article}, abstract = {

The effect of particle size on the thermal conductivity of nanofluids is studied by dispersing myristic acid coated magnetite (Fe3O4) nanoparticles in two different base fluids; toluene and kerosene. Magnetite nanoparticles of three different sizes 4, 7 and 10 nm dispersed in toluene and kerosene showed a linear increase in the thermal conductivity with increasing concentration of the nanopartides, above a critical concentration. The critical concentration below which the thermal conductivity remained unchanged with the concentration of the nanopartides is found to be lower for the kerosene-based fluids. The variation of thermal conductivity with particle size is without any clear trend. However, within the measurement errors (+/- 1\%), the toluene-based fluids showed a decrease in the thermal conductivity with increasing particle size, whereas the opposite trend is observed for the kerosene-based fluids. Also, the kerosene-based fluids at similar concentrations of the nanopartides showed relatively larger enhancement in the thermal conductivity than the toluene-based fluids. The observed role of the base fluid in enhancing the thermal conductivity is correlated with the difference in the solvent-surfactant interactions which in turn affect the interfacial thermal resistance at the particle-fluid interface. The thermal conductivity of the nanofluids in toluene and kerosene is also found to show different trends with the size of the particles in the presence of an external magnetic field. The difference in the enhancement of thermal conductivity of the fluids in a magnetic field is explained in terms of the differences in the magnetic dipolar interactions, clustering/ agglomeration, and magnetic characteristics of the samples as well as the characteristics of the base fluid. (C) 2020 Elsevier B.V. All rights reserved.

}, issn = {0167-7322}, doi = {10.1016/j.molliq.2020.112650}, author = {Dadwal, Arun and Joy, P. A.} } @article {46723, title = {Possible role of glycation in the regulation of amyloid beta precursor protein processing leading to amyloid beta accumulation}, journal = {Medical Hypotheses}, volume = {142}, year = {2020}, month = {SEP}, pages = {109799}, type = {Article}, abstract = {

Alzheimer{\textquoteright}s disease (AD) is one of the most common forms of neurodegenerative diseases amongst the aged population. The disease is multifactorial, and diabetes has been considered as one of the major risk factors for the development of AD. Chronic hyperglycemic condition in diabetes promotes non-enzymatic protein modification by glucose termed as glycation, which affects protein structure and function. Previous studies have shown that many of the enzymes, including proteases, are affected by glycation. Conversely, glycated proteins are known to become resistant to protease action. In these hypotheses, we have extended these two concepts to the regulation of amyloid-beta protein precursor (A beta PP) by secretases leading to amyloid-beta (Af3) accumulation. The first hypothesis deals with the glycation of alpha-secretases leading to its reduced activity, while in the second hypothesis, A beta PP glycation may prevent a-secretases action, rendering its processing by beta secretase. As diabetes is a risk factor for the development of AD, either or both these pathways may operate, leading to the manifestation of AD.

}, keywords = {Alpha-secretase, Alzheimer {\textquoteleft}s disease, Amyloid-beta, Amyloid-beta protein precursor, Beta-secretase, Diabetes, glucose, Glycation, Type-3 diabetes}, issn = {0306-9877}, doi = {10.1016/j.mehy.2020.109799}, author = {Patil, Gouri V. and Joshi, Rakesh S. and Kazi, Rubina S. and Kulsange, Shabda E. and Kulkarni, Mahesh J.} } @article {46612, title = {Preparation, spectroscopic characterization, theoretical investigations, and in vitro anticancer activity of Cd(II), Ni(II), Zn(II), and Cu(II) complexes of 4(3H)-quinazolinone-derived schiff base}, journal = {Molecules}, volume = {25}, year = {2020}, month = {DEC}, pages = {5973}, type = {Article}, abstract = {

Herein, we report the synthesis and characterization of a new Schiff base ligand 3-[[(E)-(3-hydroxyphenyl)-methylidene]amino]-2-methyl-quinazolin-4(3 H)-one (HAMQ) and its Cd(II), Ni(II), Zn(II), and Cu(II) complexes (C-1-C-4). The ligand HAMQ was synthesized by reacting 3-hydroxybenzaldehyde and 3-amino-2-methyl-4(3H)-quinazolinone in a 1:1 molar ratio. The structure of the ligand and its complexes (C-1-C-4) were evaluated using ultraviolet (UV)-visible (Vis) light spectroscopy, H-1-NMR, Fourier-transform infrared (FT-IR) spectroscopy, MS, elemental analysis, conductance data, and thermogravimetric analysis (TGA). The characterization results suggested that the bidentate ligand, HAMQ, coordinated to the metal center through the lactum oxygen and the azomethine nitrogen. Moreover, all the metal complexes were analyzed using powder X-ray diffraction studies, which revealed that all of them belong to a triclinic crystal system. The research was supplemented by density functional theory (DFT) studies on the IR and UV-Vis spectra, as well as the chemical reactivity of the HAMQ and its four metallic derivatives making use of conceptual density functional theory (CDFT) by means of KID (Koopmans in DFT) methodology. The synthesized complexes displayed significant in vitro anticancer activity against human cancer cell lines (HeLa and HCT-115).

}, keywords = {3-quinolin-4(3H)-one, chemical reactivity properties, conceptual DFT, Metal complexes, spectral studies}, doi = {10.3390/molecules25245973}, author = {Ashok, Ubale Panchsheela and Kollur, Shiva Prasad and Anil, Nishad and Arun, Bansode Prakash and Jadhav, Sanjay Namdev and Sarsamkar, Sanjay and Helavi, Vasant Baburao and Srinivasan, Asha and Kaulage, Sandeep and Veerapur, Ravindra and Al-Rashed, Sarah and Syed, Asad and Ortega-Castro, Joaquin and Frau, Juan and Flores-Holguin, Norma and Glossman-Mitnik, Daniel} } @article {46762, title = {Proteomic analysis detects deregulated reverse cholesterol transport in human subjects with ST-segment elevation myocardial infarction (vol 222, 103796, 2020)}, journal = {Journal of Proteomics}, volume = {224}, year = {2020}, month = {JUL}, pages = {103828}, type = {Correction}, issn = {1874-3919}, doi = {10.1016/j.jprot.2020.103828}, author = {Das, Apabrita Ayan and Choudhury, Kamalika Roy and Jagadeeshaprasad, M. G. and Kulkarni, Mahesh J. and Mondal, Prakash Chandra and Bandyopadhyay, Arun} } @article {46810, title = {Proteomic analysis detects deregulated reverse cholesterol transport in human subjects with ST-segment elevation myocardial infarction}, journal = {Journal of Proteomics}, volume = {222}, year = {2020}, month = {JUN}, pages = {103796}, type = {Article}, abstract = {

Reverse cholesterol transport (RCT) plays a critical role in removing cholesterol from the arterial wall. However, very few reports directly relate chronic inflammation and RCT with atherosclerosis. The present study was undertaken to investigate clinical implications of significantly altered circulating proteins in subjects with ST-segment elevation myocardial infarction (STEMI) in the manifestation of atherosclerotic events. Using a casecontrol design, more than 2500 proteins in both STEMI and healthy control subjects were identified by Orbitrap mass spectrometer. Quantitative proteomics study revealed downregulation of 26 proteins while expression of 38 proteins increased significantly in STEMI subjects compared to healthy controls. Pathway enrichment analyses indicated that most of the identified proteins were related to chronic inflammation, atherosclerosis, and RCT. Altered proteins such as AZGP1, ABCA5, Calicin, PGLYRP2, HAVCR2 and C17ORF57 were further validated by Western blotting analysis of human plasma. Pathophysiological significance was studied using macrophage derived foam cell for their critical role in RCT which indicated the imbalance of RCT via the interaction of AZGP1 with CD36. In summary, this study revealed a unique relationship of some novel proteins apparently responsible for impaired RCT and chronic inflammation leading to atherothrombosis and myocardial infarction. Significance: In the present study we identified \>= 2500 unique circulating proteins in healthy control and clinically diagnosed STEMI subjects among which 423 proteins were found to be common in both the groups. We further show 64 proteins significantly different between healthy control and STEMI subjects. Proteomic analyses reveal a panel of proteins associated with atherosclerosis and STEMI. One of the proteins, AZGP1, an adipokine, is likely to act as the missing link between chronic inflammation and cholesterol transport. Deregulation of reverse cholesterol transport might be orchestrated by AZGP1, CD36, ABCA5, and PPARy in STEMI subjects. The present study employs shotgun and quantitative proteomics followed by in vitro validations demonstrating a biochemical basis for reverse cholesterol transport in the local milieu of the luminal wall of the artery which are critical for plaque build-up and atherosclerosis.

}, keywords = {Atherosclerosis, AZGP1, CD36, Plasma proteomics, Reverse cholesterol transport, STEMI}, issn = {1874-3919}, doi = {10.1016/j.jprot.2020.103796}, author = {Das, Apabrita Ayan and Choudhury, Kamalika Roy and Jagadeeshaprasad, M. G. and Kulkarni, Mahesh J. and Mondal, Prakash Chandra and Bandyopadhyay, Arun} } @article {47317, title = {Role of exposed crystal facets in the atmospheric pressure CO hydrogenation on Co3O4}, journal = {Nano-Structures \& Nano-Objects}, volume = {23}, year = {2020}, month = {JUL}, type = {Article}, abstract = {

Co3O4 nanostructures with different exposed planes are studied for atmospheric pressure CO hydrogenation. Existence of different facets is characterized by HR-TEM and found Co3O4 - NSP (nanospheres) expose (112) facet, NB (nanobelts) exhibit (110) plane and (100) is the dominant surface facet in NC (nanocubes). Different catalytic activity is demonstrated by the specific facet of Co3O4 catalysts. CO hydrogenation is facet dependent and the catalytic activity follows the order of Co3O4-NB \> Co3O4-NC \> Co3O4-NSP.

}, doi = {10.1016/j.nanoso.2020.100504}, author = {Jain, Preeti and Gupta, Sharad and Vinod, C. P.} } @article {47007, title = {Selective, bifunctional Cu-WOx/Al2O3 catalyst for hydrodeoxygenation of fatty acids}, journal = {Catalysis Science \& Technology}, volume = {10}, year = {2020}, month = {JAN }, pages = {268-277}, type = {Article}, abstract = {

Selective hydrodeoxygenation of oleic acid (OA; in a batch reactor, at 300 degrees C, 30 bar H-2 pressure, reaction time of 1 h and reactant-to-catalyst weight ratio of 2 g OA/0.2 g) forming n-octadecane in yields as high as 93\% over a non-noble metal, sulfur-free, bimetallic Cu-WOx/Al2O3 catalyst is reported for the first time. Several Cu-WOx/Al2O3 compositions were prepared by a sequential wet-impregnation method and evaluated. A catalyst with 10 wt\% Cu and 4 wt\% W enabled the highest activity and selectivity. Upon adding WOx, the amount of moderate and strong acid sites increased and more Cu in the catalyst was in reduced electron-rich metallic (Cu-0) state. The crystallite size and dispersion of Cu were little affected. WOx promoted the fatty acid hydrodeoxygenation activity of Cu. While a monometallic Cu catalyst (10Cu/Al2O3) yielded n-octadecane and n-heptadecane along with high amounts of intermediate octadecanol and octadecanal products, the bimetallic catalyst (10Cu-4WO(x)/Al2O3) gave mainly n-octadecane. Acidity and the high amount of reduced Cu-0 species are responsible for the high catalytic hydrodeoxygenation performance of this bimetallic catalyst.

}, issn = {2044-4753}, doi = {10.1039/c9cy01939a}, author = {Janampelli, Sagar and Sethia, Govind and Darbha, Srinivas} } @article {46812, title = {Selective monoalkylation of hydroquinone in the presence of SO3H-functionalized ionic liquids as catalysts}, journal = {Chemical Papers}, volume = {74}, year = {2020}, month = {DEC}, pages = {4461-4471}, type = {Article}, abstract = {

A process aiming atO-alkylation of hydroquinone (HQ), where ionic liquids (ILs) act as catalyst is objectively described. Five SO3H-functionalized ILs having different cations were prepared and characterized by NMR and FTIR techniques. The acidity and thermal stability of ILs were determined by Hammett function and thermogravimetric analysis (TGA), respectively. The catalytic activity of these ILs were tested forO-alkylation of HQ with methanol in 4-methoxyphenol (4MP) in the presence of small amount of benzoquinone (BQ). The effect of reaction parameters such as temperature, time, catalyst loading and substrate concentration on the conversion of HQ and product distribution was examined and optimized to maximize the yield of 4MP using 1,3-disulfonic acid imidazolium hydrogen sulfate (IL2) catalyst. Maximum yield of desired product 4MP 93.79\% was obtained at 338 K temperature, 5.45 x 10(-2) mol HQ, 8.33 x 10(-3) mol BQ, and 10.37 mol\% catalyst loading in 120 min reaction time. Single-product formation was observed up to 338 K temperature but higher temperature (above 338 K) and longer reaction time resulted in the formation of 2,4-dimethoxyphenol (24DMP) as a by-product. Catalyst recyclability was also established up to the fifth run which showed no declination in its activity.

}, keywords = {4-Methoxyphenol, Benzoquinone, Hydroquinone, ionic liquids, O-alkylation}, issn = {2585-7290}, doi = {10.1007/s11696-020-01230-1, Early Access Date = JUN 2020}, author = {Bhongale, Priyanka V. and Joshi, Sunil S. and Mali, Nilesh A.} } @article {46781, title = {Self-assembly of novel Fmoc-cardanol compounds into hydrogels - analysis based on rheological, structural and thermal properties}, journal = {Soft Matter}, volume = {16}, year = {2020}, month = {JUL }, pages = {6294-6303}, type = {Article}, abstract = {

Hydrogels of low molecular weight molecules are particularly appealing for various biomedical applications such as drug delivery, tissue engineering, and antitumor therapy due to their excellent biocompatibility, biodegradability, and easy availability. Fmoc-peptide hydrogels form an essential category of these hydrogels. Herein we report a new class of Fmoc hydrogels in which cardanol (3-pentadecyl phenol (PDP)) is covalently linked with fluorenylmethyloxycarbonyl group. Cardanol is a plant-based renewable raw material, readily obtained from Cashew Nut Shell Liquid (CNSL). The long aliphatic chain of pentadecyl phenol helps in bringing a structural incompatibility and generates different nanostructures such as nanospheres, nanotapes, and nanofibers depending on Fmoc substitution and the solvents used. Stable hydrogels were formed from Fmoc-PDP in DMSO/H2O, and the critical aggregation concentration (CAC) and critical gelation concentration (CGC) were determined. The role of non-covalent forces such as hydrogen-bonding, hydrophobicity, and pi-pi stacking interactions in governing self-assembly to hydrogel formation was studied for Fmoc, DiFmoc and Boc groups attached to PDP. The thermal properties were analyzed, and smectic and nematic phases were identified for the molecules depending on the substitutions involved. Overall the study supports the mechanisms of aggregation and gelation in novel Fmoc-cardanol derivatives.

}, issn = {1744-683X}, doi = {10.1039/d0sm00670j}, author = {Kadeeja, Aliya and Joseph, Seena and Abraham, Jancy Nixon} } @article {46959, title = {Shape resonance of sulphur dioxide anion excited states using the CAP-CIP-FSMRCCSD method}, journal = {Molecular Physics}, volume = {118}, year = {2020}, month = {AUG }, type = {Article}, abstract = {

We have studied the shape resonance of excited states of sulphur dioxide (SO2) anion by using the correlated independent particle Fock space multi-reference coupled cluster (CAP-CIP-FSMRCCSD) method augmented by complex absorption potential. These resonant states have been trapped experimentally in recent years by electron collision. In particular, we have investigated e(-)-SO2 scattering and computed the negative-ion resonance states of the anion responsible for the two resonances around 4.45 and 6.56 eV and compared the results with the existing experimental observations. From the computational results using the CAP-CIP-FSMRCCSD method, it has been observed that both the resonances near 4.45 and 6.56 eV result from A(1) symmetries. [GRAPHICS] .

}, keywords = {CAP augmented correlated independent particle (CAP-CIP-FSMRCCSD), complex absorption potential (CAP), coupled cluster, Fock space multireference coupled cluster (FSMRCCSD), shape resonance}, issn = {0026-8976}, doi = {10.1080/00268976.2020.1726521, Early Access Date = FEB 2020}, author = {Basumallick, Suhita and Bhattacharya, Sumantra and Jana, Irina and Vaval, Nayana and Pal, Sourav} } @article {47784, title = {Simultaneous determination of anthraquinone, flavonoids, and phenolic antidiabetic compounds from cassia auriculata seeds by validated UHPLC based MS/MS method}, journal = {Mass Spectrometry Letters}, volume = {11}, year = {2020}, month = {DEC}, pages = {82-89}, type = {Article}, abstract = {A systematic isolation and characterization study for Cassia auriculata (CA) seeds resulted in identifying antidiabetic compounds 1,3,8-trihydroxyanthraquinone and quercetin, quercetin-3-O-rutinoside, gallic acid, caffeic acid, ferulic acid, and ellagic acid. The ultra-high-performance liquid chromatography based triple quadrupole mass spectrometry methodology was developed and validated for simultaneous identification and confirmation of these compounds from CA seeds. Multiple reaction monitoring (MRM) based quantification method was developed with MRM optimizer software for MS1 and MS2 mass analysis. The method was optimized on precursor ions and product ions with the ion ratio of each compound. The calibration curves of seven bioactive analytes showed excellent linearity (r2 >= 0.99). The quantitation results found precise (RSD, < 10 \%) with good recoveries (84.58 to 101.42\%). The matrix effect and extraction recoveries were found within the range (91.66 to 102.11\%) for the CA seeds. This is the first MS/MS-based methodology applied to quantifying seven antidiabetic compounds in CA seeds and its extract for quality control purposes.}, doi = {10.5478/MSL.2020.11.4.82}, author = {Girme, Aboli and Saste, Ganesh and Chinchansure, Ashish and Joshi, Swati and Kunkulol, Rahul and Hingorani, Lal and Patwardhan, Bhushan} } @article {46715, title = {Spectroscopic evidences for the size dependent generation of pd species responsible for the low temperature CO oxidation activity on Pd-SBA-15 nanocatalyst}, journal = {Applied Catalysis B-Environmental}, volume = {272}, year = {2020}, month = {SEP }, pages = {118934}, type = {Article}, abstract = {

A comprehensive size dependent CO oxidation activity has been demonstrated for Pd-SBA-15 catalysts with Pd NPs of varying sizes such as 1-2, 4-6 and 7-10 nm. Pd-SBA-15 catalyst with smallest sized NPs (Pd-S-N) has been synthesized by modified deposition precipitation method recently developed in our lab. Pd-S-N catalyst (reduced at 400 degrees C) demonstrated CO oxidation activity with lower light off temperature (50 degrees C), clearly one of the best reported for a Pd-silica system. A detailed XPS and in-situ DRIFTS analyses further supported by XAS and DFT calculations reveal the presence of easily decomposable highvalent Pd-oxide on co-ordinatively unsaturated Pd sites (Pdcus). Weak binding of CO on Pdcus sites in small Pd NPs leaving sites for oxygen activation is attributed to the low temperature activity of Pd-S-N for CO oxidation.

}, keywords = {CO oxidation, high-valent Pd species, Pd nanoparticles, SBA-15, under coordinated Pd atoms}, issn = {0926-3373}, doi = {10.1016/j.apcatb.2020.118934}, author = {Soni, Yogita and Pradhan, Sumanta and Bamnia, Mahesh K. and Yadav, A. K. and Jha, S. N. and Bhattacharyya, D. and Khan, Tuhin Suvra and Haider, M. A. and Vinod, C. P.} } @article {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 {46665, title = {Surface functionalization: an efficient alternative for promoting the catalytic activity of closed shell gold clusters}, journal = {Physical Chemistry Chemical Physics}, volume = {22}, year = {2020}, month = {OCT }, pages = {23351-23359}, type = {Article}, abstract = {

{Surface functionalization through adsorption of ligands or non-metal atoms is considered to be an interesting and viable approach for tuning the physicochemical properties of gold clusters. Highly stable and magic numbered electronic configurations of thiolate protected gold clusters such as Au-25(SR)(18), Au-38(SR)(24)etc. with intriguing properties are the direct manifestation of the rich chemistry of the Au-S interface. The present investigation discerns the CO oxidation activity of structurally well characterized sulphur functionalized gold cluster anions AumS4-

}, issn = {1463-9076}, doi = {10.1039/d0cp01918f}, author = {Joshi, Krati and Krishnamurty, Sailaja and Dar, Manzoor Ahmad} } @article {46786, title = {SWATH-MS based quantitative proteomics analysis to evaluate the antileishmanial effect of Commiphora wightii- Guggul and Amphotericin B on a clinical isolate of Leishmania donovani}, journal = {Journal of Proteomics}, volume = {223}, year = {2020}, month = {JUL }, pages = {103800}, type = {Article}, abstract = {

The present study provides comprehensive proteomics analyses of the response of L. donovani parasite to pharamacological stress in vitro. Identification of differentially expressed proteins with associated molecular functions and metabolic pathways, clearly provides an insight into the potential mechanism of the antileishmanial effects as well as a comparative response of the parasite to Guggul and AmB. Treatment of parasite with AmB results in an enhanced modulatory mechanism to counteract the drug induced stress which may have contributed to relapse. In the case of Guggul treatment, an effective antipromastigote activity was observed, which is being reported for the first time. Thus, a deeper understanding of the molecular pathways in the Leishmania parasite in response to pharmacological stress would help in designing novel and effective strategies in targeting the key molecules essential for parasite survival. It will also help in screening of new lead molecules targeting these vital pathways which could be used as an adjunct therapy along with the limited repertoire of antileishmanial drugs.

}, issn = {1874-3919}, doi = {10.1016/j.jprot.2020.103800}, author = {Bar Routaray, Chinmayee and Bhor, Renuka and Bai, Shakuntala and Kadam, Nitin Suryakant and Jagtap, Surabhi and Doshi, Pooja Jignesh and Sundar, Shyam and Sawant, Sangeeta and Kulkarni, Mahesh J. and Pai, Kalpana} } @article {46928, title = {Synthesis and characterization of supported heteropoly acid: efficient solid acid catalyst for glycerol esterification to produce biofuel additives}, journal = {Inorganic and Nano-Metal Chemistry}, volume = {50}, year = {2020}, month = {NOV }, pages = {1157-1165}, type = {Article}, abstract = {

Esterification of glycerol with acetic acid has been studied with different solid acid catalysts, prepared by impregnating phospotungustic, silicotungstic, and phosphomolybdic acids on polymeric material polyvinylpyrrolidone. These results were compared with commercially available montmorillonite KSFO catalyst showed that PVP-DTP gave higher selectivity to di- and triacetins. This study was mainly focused on increasing the selectivity toward triacetin which is an excellent alternative to fossil fuel based fuel additives. The detail characterization was done for the PVP-DTP catalyst which gave complete conversion of glycerol and maximum selectivity of 34\% toward triacetin. Complete conversion of glycerol was achieved at 110 degrees C within 6 h of reaction time. The characterization of the catalyst was performed by SEM/EDX, X-ray diffraction, thermogravimetic techniques, and FT-IR analysis.TPD-NH3 characterization showed that DTP supported on PVP increases the catalyst acidity of PVP. The highest acidity of PVP-DTP is also confirmed using NH3-TPD analysis.

}, keywords = {Glycerol, phospostugustic acid, povidone, solid acid catalyst, triacetin}, issn = {2470-1556}, doi = {10.1080/24701556.2020.1737817, Early Access Date = MAR 2020}, author = {Magar, Subhash and Mohanraj, Govindraj T. and Jana, Sumit Kumar and Rode, V, Chandrashekhar} } @article {46960, title = {Synthesis, characterisation, Hirshfeld surface and in vitro cytotoxicity evaluation of new N-aryl-N {\textquoteleft}-Alkoxycarbonyl thiocarbamide derivatives}, journal = {Journal of Molecular Structure}, volume = {1202}, year = {2020}, month = {FEB}, pages = {127269}, type = {Article}, abstract = {

Four new compounds N-(4-nitrophenyl)-N{\textquoteright}-(isobutoxycarbonyl) thiocarbamide (1), N-(2, 4-nitrophenyl)-N{\textquoteright}-(isobutoxycarbonyl) thiocarbamide (2), N-(4-nitrophenyl)-N{\textquoteright}-(ethoxycarbonyl) thiocarbamide (3) and N-(2-Chloro- 4-nitrophenyl)-N{\textquoteright}-(ethoxycarbonyl) thiocarbamide (4) were prepared and their structures confirmed by using various spectroscopic (FT-IR, UV-Visible, H-1 and C-13 NMR) and single crystal X-ray studies of 1 and 3. The presence of intramolecular (N-H center dot center dot center dot O=C) hydrogen bond in the crystal structure of both the compounds causes planarity of carbonyl thiocarbamide unit and trans orientation of C=O and C=S group. The intermolecular contacts (C-H center dot center dot center dot S, C-H center dot center dot center dot O and N-H center dot center dot center dot S) present in crystal structures have been examined by Hirshfeld surface analysis and their associated 2D fingerprint plots. All the compounds were assessed for their in vitro cytotoxic properties against a panel of seven human cancer cells such as cervical carcinoma (2008, C13*), colorectal (HT29 and HCT116) and ovarian carcinoma (A2780, A2780/CP and IGROV-1). Among them, compounds 2 and 4 exhibited better activity than 1 and 3 against all the cell lines tested. (C) 2019 Elsevier B.V. All rights reserved.

}, keywords = {Hirshfeld surface analysis, In vitro cytotoxicity, Thiocarbamide, X-ray crystal structure}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2019.127269}, author = {Pandey, Sunil K. and Pratap, Seema and Rai, Sunil K. and Marverti, Gaetano and Kaur, Manpreet and Jasinski, Jerry P.} } @article {46790, title = {Synthesis of diverse nitrogen fused polycyclic dihydroisoquinoline (DHIQ) derivatives via GBB-based cyclic iminium induced double-annulation cascade}, journal = {Tetrahedron Letters}, volume = {61}, year = {2020}, month = {JUL}, pages = {152101}, type = {Article}, abstract = {

A highly efficient and distinct Bronsted acid-mediated unprecedented cyclic iminium induced double annulation cascade (DAC) protocol for the synthesis of novel dihydroindazolo[30,20:2,3]imidazo[5,1-a]isoquinolinamines has been achieved through the three-component Groebke-Blackburn-Bienayme reaction. The transformation is based on sequential cascade processes involving imine formation followed by an intramolecular nucleophilic substitution to generate a highly reactive cyclic iminium species, which would undergo a rapid [4 + 1] formal cycloaddition steps in one-pot fashion. This strategy provides novel skeletally diverse complex nitrogen fused polycyclic DHIQ derivatives by employing readily available substrates and a simple procedure, which would render this method potentially useful in organic synthesis. (C) 2020 Elsevier Ltd. All rights reserved.

}, keywords = {diversity-oriented synthesis, Excellent yields, GBB-based approach, Novel polycyclic N-fused architecture, Scalable}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2020.152101}, author = {Balwe, Sandip Gangadhar and Vagh, Sandip S. and Jeong, Yeon Tae} } @article {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 {46793, title = {TIAs pathway genes and associated miRNA identification in Vinca minor: supporting aspidosperma and eburnamine alkaloids linkage via transcriptomic analysis}, journal = {Physiology and Molecular Biology of Plants}, volume = {26}, year = {2020}, month = {AUG}, pages = {1695-1711}, type = {Article}, abstract = {

V. minorcontains monomeric eburnamine-type of indole alkaloids having utilization as a neuro-medicinal plant. The biosynthetic pathway studies using miRNAs has been the focal point for plant genomic research in recent years and this technique is utilized to get an insight into a possible pathway level study inV. minoras understanding of genes in this prized medicinal plant is meagrely understood. The de novo transcriptomic analysis using Illumina Next gen sequencing has been performed in glasshouse shifted plant and transformed roots to elucidate the possible non confirmed steps of terpenoid indole alkaloids (TIAs) pathway inV. minor. A putative TIA pathway is elucidated in the study including twelve possible TIAs biosynthetic genes. The specific miRNA associated with TIAs pathway were identified and their roles were discussed for the first time inV. minor. The comparative analysis of transcriptomic data of glasshouse shifted plant and transformed roots showed that the raw reads of transformed roots were higher (83,740,316) compared to glasshouse shifted plant (67,733,538). The EST-SSR prediction showed the maximum common repeats among glasshouse shifted plant and transformed roots, although small variation was found in trinucleotide repeats restricted to glasshouse shifted plant. The study reveals overall 37 miRNAs which were observed to be true and can have a role in pathway as they can regulate the growth and alkaloid production. The identification of putative pathway genes plays an important role in establishing linkage between Aspidosperma and Eburnamine alkaloids.

}, keywords = {de novo transcriptomic analysis, EST-SSR, miRNA, Terpenoid indole alkaloids, Vinca minor}, issn = {0971-5894}, doi = {10.1007/s12298-020-00842-x, Early Access Date = JUL 2020}, author = {Verma, Priyanka and Singh, Noopur and Khan, Shamshad Ahmad and Mathur, Ajay Kumar and Sharma, Ashok and Jamal, Farrukh} } @article {46950, title = {TiO2 nanoparticles decorated on BiOCl flakes with enhanced visible light photocatalytic activity}, journal = {ChemistrySelect}, volume = {5}, year = {2020}, month = {FEB }, pages = {2618-2626}, type = {Article}, abstract = {

Facile preparation route for BiOCl and BiOCl/TiO2 nanocomposites with TiO2 nanoparticles decorated on BiOCl flakes via solution combustion method is reported in the present paper. Structural, textural and optical properties of the prepared materials are extensively studied using various physicochemical characterization tools such as X-ray diffraction (XRD), field-emission scanning electron microscopy (FE-SEM), transmission electron microscopy (TEM), UV-vis spectroscopy (DRS), N-2 adsorption-desorption study (BET), photoluminescence spectroscopy (PL), etc. BiOCl/TiO2 nanocomposites show a red shift in the light absorption as compared to that of bare BiOCl which leads to the extended absorption in visible light region. Further photocatalytic experiments for Rhodamine B and phenol degradation demonstrate that the BiOCl/TiO2 nanocomposites have superior photocatalytic properties than bare BiOCl. Improved photocatalytic performance of BiOCl/TiO2 composites is attributed to the synergistic effect between BiOCl flakes and TiO2 nanoparticles, extended visible light absorption and delayed charge recombination.

}, keywords = {BiOCl, Hydoxyl radical evaluation, p-n heterojunction, phenol degradation, Photocatalysis, TiO2 nanocomposites}, issn = {2365-6549}, doi = {10.1002/slct.201904656}, author = {Shinde, Deepali S. and Bhange, Pallavi D. and Jha, Ratnesh K. and Bhange, Deu S.} } @article {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 {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 {46756, title = {Understanding fundamentals of hepatocellular carcinoma to design next-generation chitosan nano-formulations: Beyond chemotherapy stride}, journal = {Journal of Drug Delivery Science and Technology}, volume = {58}, year = {2020}, month = {AUG}, pages = {101723}, type = {Article}, abstract = {

Hepatocellular carcinoma (HCC) is the deadliest form of liver cancer. Clinically, the main strategies currently being used for the treatment of HCC are surgery, radiotherapy and chemotherapy. Conventional chemotherapy has major drawbacks such as poor bioavailability, high-dose requirements, adverse side effects, low therapeutic indices, and non-specific drug targeting. Therefore, targeted drug delivery systems are fast becoming new tools for the selective killing of cancer cells. Chitosan (CS) is a biodegradable, biocompatible, cationic and natural biopolymer that also exhibits anti-cancer property which is now being explored as a promising candidate for targeted drug delivery. This review outlines an overview of the causative agents, microenvironment, pathophysiology, surface-biomarkers and physiological barriers of HCC. Then, the cellular internalization pathways of nanomedicine and the important physicochemical properties of delivery agents are discussed. The benefits of targeted therapy over conventional therapy with regard to HCC are also discussed. The main objective of this review was to summarize the current knowledge in the field of chitosan-based drug delivery for the management of HCC along with its limitations in a comprehensive and systematic way. This review attempts to provide a holistic roadmap for designing the next-generation chitosan-based drug delivery systems for HCC management.

}, keywords = {chitosan nanoparticles, Hepatocellular carcinoma, Pathophysiology, Surface biomarkers, Targeted Drug Delivery, Tumor microenvironment}, issn = {1773-2247}, doi = {10.1016/j.jddst.2020.101723}, author = {Jaiswal, Neha and Chaudhari, Ravindra D. and Chaudhari, Bhushan P.} } @article {46848, title = {Understanding the ML black box with simple descriptors to predict cluster-adsorbate interaction energy}, journal = {New Journal of Chemistry}, volume = {44}, year = {2020}, month = {MAY }, pages = {8545-8553}, type = {Article}, abstract = {

Density functional theory (DFT) is currently one of the most accurate and yet practical theories used to gain insight into the properties of materials. Although successful, the computational cost required is still the main hurdle even today. In recent years, there has been a trend of combining DFT with Machine Learning (ML) to reduce the computational cost without compromising accuracy. Finding the right set of descriptors that are simple to understand in terms of giving insights about the problem at hand, lies at the heart of any ML problem. In this work, we demonstrate the use of nearest neighbor (NN) distances as descriptors to predict the interaction energy between the cluster and an adsorbate. The model is trained over a size range of 5 to 75 atom clusters. When the training and testing is carried out on mutually exclusive cluster sizes, the mean absolute error (MAE) in predicting the interaction energy is similar to 0.24 eV. MAE reduces to 0.1 eV when testing and training sets include information from the complete range. Furthermore, when the same set of descriptors are tested over individual sizes, the MAE further reduces to similar to 0.05 eV. We bring out the correlation between dispersion in the nearest neighbor distances and variation in MAE for individual sizes. Our detailed and extensive DFT calculations provide a rationale as to why nearest neighbor distances work so well. Finally, we also demonstrate the transferability of the ML model by applying the same recipe of descriptors to systems of different elements like (Na-10), bimetallic systems (Al6Ga6, Li4Sn6, and Au40Cu40) and also different adsorbates (N-2, O-2, and CO).

}, issn = {1144-0546}, doi = {10.1039/d0nj00633e}, author = {Agarwal, Sheena and Mehta, Shweta and Joshi, Kavita} } @article {46677, title = {Understanding the role of solvent properties on reaction kinetics for synthesis of silica nanoparticles}, journal = {Chemical Engineering Journal}, volume = {398}, year = {2020}, month = {OCT}, pages = {125427}, type = {Article}, abstract = {

The effect of various alcoholic solvents and their compositions on the size of silica particles synthesized through hydrolysis and condensation of tetraethyl orthosilicate (TEOS) is studied. The alcohols used are: Methanol, ethanol, propanol, i-propanol, butanol, pentanol, hexanol, octanol, decanol and do-decanol. Ethanol was used as a co-solvent with the higher molecular weight alcohols. Silica particles of size between 100 nm and 2 mu m were obtained by changing solvent composition. Concentrations of total soluble silica and silicic acid were measured and used for exploring the kinetics of hydrolysis and condensation reactions. Polarity, steric hindrance and viscosity of solvent were found to have a strong influence on the rate constants and size of silica nanoparticles. An attempt is made to correlate both final particle size and rate constants with dielectric constant, Wiener index and viscosity of the solvent.

}, keywords = {condensation, Hydrolysis, kinetics, silica particles, Solvents, Stober process}, issn = {1385-8947}, doi = {10.1016/j.cej.2020.125427}, author = {Bari, Atul H. and Jundale, Rajashri B. and Kulkarni, Amol. A.} } @article {46892, title = {Unravelling the distinct surface interactions of modified graphene nanostructures with methylene blue dye through experimental and computational approaches}, journal = {Journal of Hazardous Materials}, volume = {388}, year = {2020}, month = {APR}, pages = {121755}, type = {Article}, abstract = {

Nanoscopic modifications leading to multi-dimensional graphene structures are known to significantly influence their candidature for several applications including catalysis, energy storage, molecular sensing and most significantly adsorption and remediation of harmful materials such as dyes. The present work attempts to identify the key trajectories that connect the structural qualification with a chosen application, viz., the interactive forces in dye remediation. Various physico-chemically Modified Graphene Nanostructures (MGNs) such as 2 dimensional Graphite, Graphene Oxide (GO), reduced GO (rGO), holey rGO, and 3 dimensional GO hydrogel and Holey GO hydrogel are chosen and synthesised herein. These represent varieties of physicochemical features with respect to their dimensionality, surface features such as oxygen functionality, nanoscopic holes etc., that contribute to their characteristic overall surface interactions. Methylene Blue (MB), a popular industrial effluent posing major environmental concern is chosen to be a probe adsorbate in this case study. An exclusive real time in-situ UV visible spectral experiment provides the revealing reasons behind the outstanding performance of 2D GO sheets with an adsorption capacity of greater than 92 \% even at high MB concentrations (\>2000 ppm). A complex dependency of various factors such as surface oxygen, morphology, nanoporosity etc. on the unique overall interaction with an adsorbent such as MB by all these adsorbates is demonstrated using experimental and DFT based computational studies. Electrostatics and hydrogen bonding are understood to be the two dominant forces driving the MB adsorption on the best performing GO here.

}, keywords = {Density functional theory, In-situ UV-vis spectroscopy, Interactions, Methylene blue, Modified Graphene Nanostructures}, issn = {0304-3894}, doi = {10.1016/j.jhazmat.2019.121755}, author = {Manappadan, Zinoy and Kumar, Shubham and Joshi, Krati and Govindaraja, Thillai and Krishnamurty, Sailaja and Selvaraj, Kaliaperumal} } @article {46731, title = {Unsymmetrical squaraine dyes for dye-sensitized solar cells: position of the anchoring group controls the orientation and self-assembly of sensitizers on the TiO2 surface and modulates its flat band potential}, journal = {Journal of Physical Chemistry C}, volume = {124}, year = {2020}, month = {AUG}, pages = {18436-18451}, type = {Article}, abstract = {

The position of the anchoring group is systematically changed with a series of alkyl group wrapped donor-acceptor-donor (D-A-D) based squaraine dyes, 4-SQ to 7-SQ, for the use in dye-sensitized solar cells (DSSCs). By this approach, the orientation as well as the self-assembly of the sensitizers can be controlled on the semiconducting TiO2 surface. All of the dyes functionalized with hydrophobic alkyl groups at sp(3)-C and N atoms of the indoline units that is far away from the TiO2 surface to control the self-assembly of dyes and passivate the surface. Controlling both the orientation as well as the self-assembly of the sensitizers synergistically enhances the V-oc of the DSSC device by imparting the dipole moment on the TiO2 surface and minimizing the interfacial charge recombination process of electrons from TiO2 to the oxidized electrolyte, respectively. Further, the presence of a meta-carboxyl group with respect to the N atom of the indoline donor unit for the dyes 4-SQ and 6-SQ makes them nonconductive for the charge injection process, which sheds light on the importance of through-space electron transfer for the device performance. Emission from the relaxed twisted state was found to be a deactivation pathway for 4-SQ on TiO2 and ZrO2, which revealed the importance of structural factors that promote spatial interaction between the sensitizer and metal oxide surface. Computational studies showed the systematic changes in the dipole moment for the sensitizers 4-SQ, 5-SQ, and 6-SQ upon anchoring to the TiO2 surface. The DSSC device performance varied with the position of anchoring groups in the sensitizers. The DSSC device performance of 5-SQ indicates a J(sc) value of 11.35 mA cm(-2), V-oc of 0.698 V, and ff of 77\% corresponding to a power conversion efficiency of 6.08\% in the presence of 3 equiv of coadsorbent CDCA, which is nearly 1.5 times higher than 6-SQ (V-oc 0.7 V, J(sc) 7.76 mA cm(-2), ff 76\%, and eta 4.14\%) and 2.6 times higher than 4-SQ (V-oc 0.658 V, J(sc) 4.42 mA cm(-2), ff 78\%, and eta 2.28\%). IPCE studies revealed the importance of orientation for the charge injection and self-assembly of dyes, as devices with 5-SQ and 6-SQ as a sensitizer showed 94 and 77\% response at 578 nm, respectively, which correspond to the aggregated structure of the dye. Mott-Schottky and IPCE experiments showed that the orientation of sensitizers could modulate the V-oc due to the shift in the flat band potential of TiO2.

}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.0c05176}, author = {Singh, Ambarish Kumar and Maibam, Ashakiran and Javaregowda, Bharathkumar H. and Bisht, Rajesh and Kudlu, Ashwath and Krishnamurty, Sailaja and Krishnamoorthy, Kothandam and Nithyanandhan, Jayaraj} } @article {47023, title = {Untargeted metabolomics reveals alterations in metabolites of lipid metabolism and immune pathways in the serum of rats after long-term oral administration of Amalaki rasayana}, journal = {Molecular and Cellular Biochemistry}, volume = {463}, year = {2020}, month = {JAN}, pages = {147-160}, type = {Article}, abstract = {

Amalaki rasayana, a traditional preparation, is widely used by Ayurvedic physicians for the treatment of inflammatory conditions, cardiovascular diseases, and cancer. Metabolic alterations induced by Amalaki rasayana intervention are unknown. We investigated the modulations in serum metabolomic profiles in Wistar rats following long-term oral administration of Amalaki rasayana. Global metabolic profiling was performed of the serum of rats administered with either Amalaki rasayana (AR) or ghee + honey (GH) for 18 months and control animals which were left untreated. Amalaki rasayana components were confirmed from AR extract using HR-LCMS analysis. Significant reductions in prostaglandin J2, 11-dehydrothromboxane B2, and higher levels of reduced glutathione and glycitein metabolites were observed in the serum of AR administered rats compared to the control groups. Eleven different metabolites classified as phospholipids, glycerophospholipids, glucoside derivatives, organic acids, and glycosphingolipid were exclusively observed in the AR administered rats. Pathway analysis suggests that altered metabolites in AR administered rats are those associated with different biochemical pathways of arachidonic acid metabolism, fatty acid metabolism, leukotriene metabolism, G-protein mediated events, phospholipid metabolism, and the immune system. Targeted metabolomics confirmed the presence of gallic acid, ellagic acid, and arachidonic acid components in the AR extract. The known activities of these components can be correlated with the altered metabolic profile following long-term AR administration. AR also activates IGF1R-Akt-Foxo3 signaling axis in heart tissues of rats administered with AR. Our study identifies AR components that induce alterations in lipid metabolism and immune pathways in animals which consume AR for an extended period.

}, keywords = {Amalaki rasayana, Ayurvedic medicines, Leukotriene metabolism, Lipid metabolism, Metabolic profiling}, issn = {0300-8177}, doi = {10.1007/s11010-019-03637-1}, author = {Kumar, Vikas and Kumar, A. Aneesh and Joseph, Vinod and Dan, Vipin Mohan and Jaleel, Abdul and Kumar, T. R. Santhosh and Kartha, Chandrasekharan C.} } @article {46718, title = {Vinylogous michael addition of 3-alkylidene-2-oxindoles to beta,gamma-unsaturated alpha-keto esters by bifunctional cinchona alkaloids}, journal = {European Journal of Organic Chemistry}, volume = {2020}, year = {2020}, month = {SEP }, pages = {5690-5694}, type = {Article}, abstract = {

A highly enantioselective vinylogous Michael addition of 3-alkylidene-2-oxindoles with beta,gamma-unsaturated alpha-keto esters using a bifunctional tertiary-amine thiourea catalyst is demontsrated. The challenging Michael reaction with the beta,gamma-unsaturated alpha-keto esters has been accomplished due to the synchronized H-bond guided dual activation of vinylogous nucleophile and electrophile by catalyst. The reaction afforded product in high yield while resulting in excellent stereocontrol (\> 19:1E/Zand upto 99 \%ee).

}, keywords = {3-Alkylidene-2-oxindoles, Asymmetric synthesis, beta, gamma-Unsaturated alpha-keto esters, Michael adduct, Vinylogous Michael addition}, issn = {1434-193X}, doi = {10.1002/ejoc.202000835, Early Access Date = SEP 2020}, author = {Jaiswal, Manish K. and Kumar, Rajesh and Singh, Sanjay and Jain, Shailija and Vanka, Kumar and Singh, Ravi P.} } @article {47635, title = {Achiral and chiral NNN-pincer nickel complexes with oxazolinyl backbones: application in transfer hydrogenation of ketones}, journal = {New Journal of Chemistry}, volume = {45}, year = {2021}, month = {JUL}, pages = {11927-11936}, type = {Article}, abstract = {We describe the synthesis of new NNN-oxazolinyl-pincer nickel complexes and their application in the transfer hydrogenation of ketones. Achiral NNN-ligands, R {\textquoteleft}(2)-oxazolinyl-2-C6H4-NH-C(O)CH2NEt2 [((R {\textquoteleft} 2-OxNNNEt2))-H; R{\textquoteright} = H (3a), R {\textquoteleft} = Me (3b)], and chiral ligands, (R)-R {\textquoteleft}-oxazolinyl-2-C6H4-NH-C(O)CH2NEt2 [(R)-((R {\textquoteleft}-OxNNNEt2))-H; R {\textquoteleft} = Ph (3c), R {\textquoteleft} = CH2Ph (3d), R {\textquoteleft} = Pr-i (3e), R {\textquoteleft} = (CH2Pr)-Pr-i (3f)], were efficiently synthesized. Treatment of these ligands with (DME)NiCl2 afforded the desired amido-pincer nickel complexes, ((R {\textquoteleft} 2-OxNNNEt2))NiCl [R {\textquoteleft} = H (4a), R {\textquoteleft} = Me (4b)] and ((R {\textquoteleft}-OxNNNEt2))NiCl [R {\textquoteleft} = Ph (4c), R {\textquoteleft} = CH2Ph (4d), R {\textquoteleft} = Pr-i (4e), R {\textquoteleft} = (CH2Pr)-Pr-i (4f)], in good yields. All the ligand precursors and nickel complexes were thoroughly characterized by various analytical techniques. The molecular structures of 4a, 4d and 4f were established by X-ray crystallography. The developed nickel complexes were found to be efficient catalysts for the transfer hydrogenation of ketones using (PrOH)-Pr-i as a viable hydrogen source. Enantioselectivity in hydrogenation was not observed with the developed chiral catalysts.}, issn = {1144-0546}, doi = {10.1039/d1nj01698a}, author = {Jagtap, Rahul A. and Ankade, Shidheshwar B. and Gonnade, Rajesh G. and Punji, Benudhar} } @article {47362, title = {Antiviral drugs prioritization for COVID-19 management based on rational selection}, journal = {Current Science}, volume = {120}, year = {2021}, month = {MAY }, pages = {1464-1470}, type = {Article}, abstract = {

The SARS-CoV-2 infection has resulted in COVID-19 pandemic worldwide. It has infected around 0.1 billion individuals and caused 2 million fatalities across the globe till mid-January 2021. Drug repurposing has been utilized as the most preferred therapeutic intervention for COVID-19 mitigation due to its necessity and feasibility. To prioritize therapeutic regime against COVID-19, we used 61 antiviral drugs and their combinations. Selected molecules were subjected to virtual screening against: (i) human angiotensin-converting enzyme 2 receptor binding domain (hACE-2) which serves as an anchor for virus attachment and entry, (ii) SARS-CoV-2 RNA dependent RNA polymerase (RdRp) responsible for viral RNA replication, and (iii) SARS-CoV-2 main protease (M-Pro) needed for viral polyprotein slab proteolytic processing. Based on docking score, pharmacodynamic and pharmacokinetic parameters, combinations of Daclatasvir, Elbasvir, Indinavir, Ledipasvir, Paritaprevir and Rilpivirine were analysed further. Our analysis suggested Sofosbuvir in combination with Ledipasvir and Daclatasvir as potential therapeutic agents for SARS-CoV-2. The combined score suggests that these combinations have superior anti-SARS-CoV-2 potential than Remdesivir and other investigational drugs. The present work provides a rationale-based approach to select drugs with possible anti-SARS-CoV-2 activity for further clinical evaluation.

}, keywords = {Drug repurposing, hACE-2, main protease, RNA dependent RNA polymerase, SARS-CoV-2}, issn = {0011-3891}, doi = {10.18520/cs/v120/i9/1464-1470}, author = {Joshi, Rakesh S. and Giri, Ashok P. and Kulkarni, Mahesh J. and Gupta, Mahesh and Verma, Savita and Chaudhry, Dhruva and Deshmukh, Narendra and Chugh, Anita} } @article {47792, title = {Bibliometric analysis of emerging technologies in the field of computer science helping in ovarian cancer research}, journal = {Library Philosophy and Practice}, year = {2021}, month = {APR}, type = {Article}, abstract = {This study is carried out to provide an analysis of the literature available at the intersection of ovarian cancer and computing. A comprehensive search was conducted using Scopus database for English-language peer-reviewed articles. The study administers chronological, domain clustering and text analysis of the articles under consideration to provide high-level concept map composed of specific words and the connections between them.}, url = {https://digitalcommons.unl.edu/libphilprac/5590/}, author = {Kothari, Dr. Sonali and Gupta, Anvita and Agrawal, Muskaan and Jaggi, Kajal and Goswami, Adhiraj and Kotecha, Ketan and Dr, Karthikeyan and Khedkar, Vijayhsri} } @article {47341, title = {Bimetallic ZnFe2O4 nanosheets prepared via electrodeposition as binder-free high-performance supercapacitor electrodes}, journal = {Applied Surface Science}, volume = {559}, year = {2021}, month = {SEP }, pages = {149951}, type = {Article}, abstract = {

Binder-free bimetallic ZnFe2O4 nanosheets were fabricated using one-step electrodeposition, which facilitated excellent electrical contact between the ZnFe2O4 nanosheets and the nickel substrate. The resultant numerous ZnFe2O4 nanosheets with their cubic spinel structures promote interfacial activity to enhance the electrochemical and Faradaic redox reactions. The metallic Zn and Fe from the cubic spinel structure of ZnFe2O4 attract electrolytic ions and increase the energy-storage capability, thus yielding a specific capacitance of 1093 F.g(-1) at a current rate of 1 A.g(-1). Different samples were prepared by varying the amount of metal salts in the electrodeposition solution while maintaining a constant ZnNt:FeSO4 concentration ratio of 1:2 for all cases. The optimal electrode composition, which yielded an energy density of 54 Wh.kg(-1) and a capacitance retention of 93.5\% at N = 5000 charge-discharge cycles, was identified.

}, keywords = {Bimetallic, Electrodeposition, Energy storage device, supercapacitor, ZnFe2O4 nanosheet}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2021.149951}, author = {Joshi, Bhavana and Samuel, Edmund and Park, Chanwoo and Kim, Yongil and Lee, Hae-Seok and Yoon, Sam S.} } @article {47434, title = {Biomass-derived activated carbon material from native European deciduous trees as an inexpensive and sustainable energy material for supercapacitor application}, journal = {Journal of Energy Storage}, volume = {34}, year = {2021}, month = {FEB}, pages = {102178}, type = {Article}, abstract = {

Activated carbons are one of the possible electrode materials for supercapacitors (SCs), which are widely used in commercial applications. Herein, we reported the synthesis of a novel activated carbon derived through a cavitation process from the mixture of native European deciduous trees, Birch, Fagaceae, and Carpinus betulus (commonly known as European hornbeam), which was employed as the electrode material in SC. From the morphological and structural characterization, we observed that the prepared sample is a desirable carbon with good porosity and high specific surface area of about 614 m(2) g(-1). The electrochemical properties of the synthesized material were evaluated with a three-electrode configuration in 1.0 M H2SO4 electrolyte. It was found that in device mode, the carbon material delivers a specific capacitance of 24 F g(-1) at 0.25 A g(-1) with excellent cycling stability of over 10000 consecutive charge/discharge cycles. Thus, our studies demonstrate the facile synthesis of biomass-derived carbon and its application as a versatile electrode material for SC applications.

}, keywords = {Biomass, Carbon material, Deciduous trees, Electrode material, supercapacitor}, issn = {2352-152X}, doi = {10.1016/j.est.2020.102178}, author = {Jain, Amrita and Ghosh, Meena and Krajewski, Marcin and Kurungot, Sreekumar and Michalska, Monika} } @article {47373, title = {Chronic systemic exposure to IL6 leads to deregulation of glycolysis and fat accumulation in the zebrafish liver}, journal = {Biochimica ET Biophysica Acta-Molecular and Cell Biology of Lipids}, volume = {1866}, year = {2021}, month = {MAY}, pages = {158905}, type = {Article}, abstract = {

Inflammation is a constant in Non-Alcoholic Fatty Liver Disease (NAFLD), although their relationship is unclear. In a transgenic zebrafish system with chronic systemic overexpression of human IL6 (IL6-OE) we show that inflammation can cause intra-hepatic accumulation of triglycerides. Transcriptomics and proteomics analysis of the IL6-OE liver revealed a deregulation of glycolysis/gluconeogenesis pathway, especially a striking down regulation of the glycolytic enzyme aldolase b. Metabolomics analysis by mass spectrometry showed accumulation of hexose monophosphates and their derivatives, which can act as precursors for triglyceride synthesis. Our results suggest that IL6-driven repression of glycolysis/gluconeogenesis, specifically aldolase b, may be a novel mechanism for fatty liver. This mechanism may be relevant for NAFLD in lean individuals, an emerging class of NAFLD prevalent more in Asian Indian populations.

}, keywords = {Aldolase b, DHAP, Inflammation, Interleukin 6, Lean NAFLD, Non-alcoholic fatty liver}, issn = {1388-1981}, doi = {10.1016/j.bbalip.2021.158905}, author = {Singh, Manoj K. and Jayarajan, Rijith and Varshney, Swati and Upadrasta, Sindhuri and Singh, Archana and Yadav, Rajni and Scaria, Vinod and Sengupta, Shantanu and Shanmugam, Dhanasekaran and Shalimar and Sivasubbu, Sridhar and Gandotra, Sheetal and Sachidanandan, Chetana} } @article {47598, title = {Co-decorated tellurium nanotubes for energy storage applications}, journal = {ACS Applied Nano Materials}, volume = {4}, year = {2021}, month = {SEP}, pages = {9008-9021}, type = {Article}, abstract = {This paper explicitly discusses the synthesis of Co-decorated Te nanotubes (NTs) using Te NTs as the sacrificial template and the evaluation of their electrochemical performance. First, one-dimensional (1D) Te NTs were synthesized and characterized by spectroscopic and microscopic tools such as UV-visible spectroscopy, X-ray diffraction spectroscopy, X-ray photoelectron spectroscopy, field-emission scanning electron microscopy, high-resolution transmission electron microscopy, and energy-dispersive X-ray spectroscopy analyses. The as-prepared hexagonal Te NTs (h-Te NTs) possess diameters of about 35 +/- 5 nm and lengths of about 500 +/- 50 nm and were used for the synthesis of Co-decorated Te NTs. The 1D nanostructure with excellent conductivity enables the material to show excellent electrochemical performance. The asymmetric assembly of the CoTe-2//AC electrode material displayed a high specific capacitance of 147 F g(-1) (specific capacity, 162 C g(-1) at a current density of 2 A g(-1) in 4 M KOH electrolyte. In addition to that, the assembly of CoTe-2//AC achieved an excellent energy density of 51.1 W h kg(-1) at a power density of 2294 W kg(-1) and confirmed the as-synthesized Co-decorated Te NTs to be an excellent electrode material.}, keywords = {cobalt, nanotubes, pseudocapacitors, surfactant, Tellurium, template}, doi = {10.1021/acsanm.1c01613}, author = {Bhol, Prangya and Swain, Swarnalata and Jena, Satyaranjan and Bhatte, Kushal and Rout, Chandra Sekhar and Saxena, Manav and Jadhav, Arvind H. and Samal, Akshaya K.} } @article {47712, title = {Colchicine induces tetraploids in in vitro cultures of digitalis lanata Ehrh.: enhanced production of biomass and cardiac glycosides}, journal = {Industrial Crops and Products}, volume = {174}, year = {2021}, month = {DEC}, pages = {114167}, type = {Article}, abstract = {This study describes a promising method for tetraploidy induction in the in vitro grown diploid shoots of the cardiotonic herb Digitalis lanata by colchicine treatment to obtain a higher content of the cardiac glycosides{\textquoteright} digoxin and digitoxin. The best frequency of tetraploids (33 \%) induction was observed with 0.5 \% colchicine treatment for 8 h. The content of digoxin and digitoxin in the tetraploids increased by 1.61-fold and 1.73-fold over the control diploids respectively. The higher cardiotonic glycoside production in the tetraploid plants of D. lanata have the potential to satisfy the increasing demand of superior plant material for pharmaceutical industries.}, keywords = {Cardiac glycosides, Colchicine induced polyploidy, Digitalis lanata, Digitoxin, Digoxin}, issn = {0926-6690}, doi = {10.1016/j.indcrop.2021.114167}, author = {Bhusare, B. P. and John, C. K. and Bhatt, V. P. and Nikam, T. D.} } @article {47462, title = {Conformational plasticity and dynamic interactions of the N-terminal domain of the chemokine receptor CXCR1}, journal = {Plos Computational Biology}, volume = {17}, year = {2021}, month = {MAY}, type = {Article}, abstract = {

The dynamic interactions between G protein-coupled receptors (GPCRs) and their cognate protein partners are central to several cell signaling pathways. For example, the association of CXC chemokine receptor 1 (CXCR1) with its cognate chemokine, interleukin-8 (IL8 or CXCL8) initiates pathways leading to neutrophil-mediated immune responses. The N-terminal domain of chemokine receptors confers ligand selectivity, but unfortunately the conformational dynamics of this intrinsically disordered region remains unresolved. In this work, we have explored the interaction of CXCR1 with IL8 by microsecond time scale coarse-grain simulations, complemented by atomistic models and NMR chemical shift predictions. We show that the conformational plasticity of the apo-receptor N-terminal domain is restricted upon ligand binding, driving it to an open C-shaped conformation. Importantly, we corroborated the dynamic complex sampled in our simulations against chemical shift perturbations reported by previous NMR studies and show that the trends are similar. Our results indicate that chemical shift perturbation is often not a reporter of residue contacts in such dynamic associations. We believe our results represent a step forward in devising a strategy to understand intrinsically disordered regions in GPCRs and how they acquire functionally important conformational ensembles in dynamic protein-protein interfaces.

}, doi = {10.1371/journal.pcbi.1008593}, author = {Kharche, Shalmali and Joshi, Manali and Chattopadhyay, Amitabha and Sengupta, Durba} } @article {47356, title = {Convenient semihydrogenation of azoarenes to hydrazoarenes using H-2}, journal = {Organic \& Biomolecular Chemistry}, volume = {19}, year = {2021}, month = {JUN}, type = {Article}, abstract = {

The high atom-economical and eco-benign nature of hydrogenation reactions make them much more superior to conventional reduction and transfer hydrogenation. Herein, a convenient and highly selective hydrogenation reaction of azoarenes using molecular hydrogen to access diverse hydrazoarenes is reported. The present catalytic method is general and operationally simple, and it operates under exceedingly mild conditions (room temperature and 1 atm of hydrogen pressure). The reusability of catalysts used in this method is also successfully demonstrated.

}, issn = {1477-0520}, doi = {10.1039/d1ob00850a, Early Access Date = MAY 2021}, author = {Sahoo, Manoj K. and Sivakumar, Ganesan and Jadhav, Sanjay and Shaikh, Samrin and Balaraman, Ekambaram} } @article {47734, title = {Copolymers of bipyridinium and metal (Zn \& Ni) porphyrin derivatives; theoretical insights and electrochemical activity towards CO2}, journal = {RSC Advances}, volume = {11}, year = {2021}, month = {JUN}, pages = {19844-19855}, type = {Article}, abstract = {This study reports the electropolymerization of novel keto functionalized octaethyl metal porphyrins (Zn2+ and Ni2+) in the presence of 4,4 {\textquoteleft}-bipyridine (4,4 {\textquoteleft}-bpy) as a bridging nucleophile. The polymer films were characterized by electrochemical, spectroscopic (UV-Vis, XPS, FT-IR and Raman spectroscopy) and imaging (AFM and SEM) techniques. The absorption and electronic spectra confirm the presence of both porphyrin and 4,4 {\textquoteleft}-bipyridine units in the film. The surface morphology reveals homogeneous film deposition with average roughness values of approx. 8 nm. The theoretical studies performed offered insights into the interplay of different metal centres (Zn2+ and Ni2+) and the keto functionality of the porphyrin unit in the formation of copolymer films. The electrochemical interaction of polymer films with CO2 suggests a reversible trap and release of CO2 with low energy barriers for both the polymers.}, doi = {10.1039/d1ra01945g}, author = {Kochrekar, Sachin and Kalekar, Ajit and Mehta, Shweta and Damlin, Pia and Salomaki, Mikko and Granroth, Sari and Meltola, Niko and Joshi, Kavita and Kvarnstrom, Carita} } @article {47700, title = {Cotton fabric decorated with manganese oxide nanorods as a supercapacitive flexible electrode for wearable electronics}, journal = {Applied Surface Science}, volume = {568}, year = {2021}, month = {DEC 1}, pages = {150968}, type = {Article}, abstract = {We present the fabrication (using a hydrothermal process) and the properties of wearable fabrics decorated with ultrathin manganese oxide (MnO2) nanorods for supercapacitor applications. The superior mechanical durability of the supercapacitor was confirmed by cyclic voltammetry (CV) curves, which showed little change during 1000 bending cycles. The pseudocapacitive properties of the ultrathin MnO2 nanorods were confirmed by recording the CV curves at various scan rates. The galvanostatic charge-discharge curves at various specific currents confirmed the pseudocapacitance of MnO2. The ultrathin MnO2 nanorods exhibited a superior capacitance of 508 F.g(-1) and an energy density of 35.3 Wh.kg(-1). The MnO2 electrode with optimal properties demonstrated stable long-term cycling performance with 90\% retention after 10,000 galvanostatic cycles.}, keywords = {Cotton fabric, Manganese oxide, Ultrafine nanostructures, Wearable supercapacitors}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2021.150968}, author = {Samuel, Edmund and Joshi, Bhavana and Kim, Yongil and Park, Chanwoo and Aldalbahi, Ali and El-Newehy, Mohamed and Lee, Hae-Seok and Yoon, Sam S.} } @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 {47701, title = {DART: deep learning enabled topological interaction model for energy prediction of metal clusters and its application in identifying unique low energy isomers}, journal = {Physical Chemistry Chemical Physics}, volume = {23}, year = {2021}, month = {OCT }, pages = {21995-22003}, type = {Article}, abstract = {Recently, machine learning (ML) has proven to yield fast and accurate predictions of chemical properties to accelerate the discovery of novel molecules and materials. The majority of the work is on organic molecules, and much more work needs to be done for inorganic molecules, especially clusters. In the present work, we introduce a simple topological atomic descriptor called TAD, which encodes chemical environment information of each atom in the cluster. TAD is a simple and interpretable descriptor where each value represents the atom count in three shells. We also introduce the DART deep learning enabled topological interaction model, which uses TAD as a feature vector to predict energies of metal clusters, in our case gallium clusters with sizes ranging from 31 to 70 atoms. The DART model is designed based on the principle that the energy is a function of atomic interactions and allows us to model these complex atomic interactions to predict the energy. We further introduce a new dataset called GNC_31-70, which comprises structures and DFT optimized energies of gallium clusters with sizes ranging from 31 to 70 atoms. We show how DART can be used to accelerate the process of identification of low energy structures without geometry optimization. Albeit using a topological descriptor, DART achieves a mean absolute error (MAE) of 3.59 kcal mol(-1) (0.15 eV) on the test set. We also show that our model can distinguish core and surface atoms in the Ga-70 cluster, which the model has never encountered earlier. Finally, we demonstrate the transferability of the DART model by predicting energies for about 6k unseen configurations picked up from molecular dynamics (MD) data for three cluster sizes (46, 57, and 60) within seconds. The DART model was able to reduce the load on DFT optimizations while identifying unique low energy structures from MD data.}, issn = {1463-9076}, doi = {10.1039/d1cp02956h}, author = {Modee, Rohit and Agarwal, Sheena and Verma, Ashwini and Joshi, Kavita and Priyakumar, U. Deva} } @article {47644, title = {Deoxygenative hydroboration of primary and secondary amides: a catalyst-free and solvent-free approach}, journal = {Chemical Communications}, volume = {57}, year = {2021}, month = {OCT }, pages = {10596-10599}, type = {Article}, abstract = {In contrast to the recent reports on catalytic hydroboration of amides to amines with pinacolborane (HBpin), a simple catalyst-free and solvent-free method for the hydroboration of a variety of amides has been realized. To get the mechanistic insights, DFT calculations have been performed.}, issn = {1359-7345}, doi = {10.1039/d1cc04148g}, author = {Kumar, Rohit and Bisai, Milan Kumar and Jain, Shailja and Vanka, Kumar and Sen, Sakya S.} } @article {47087, title = {Design and synthesis of a new topical agent for halting blood loss rapidly: a multimodal chitosan-gelatin xerogel composite loaded with silica nanoparticles and calcium}, journal = {Colloids and Surfaces B-Biointerfaces}, volume = {198}, year = {2021}, month = {FEB}, pages = {111454}, type = {Article}, abstract = {

Uncontrolled hemorrhage often causes death during traumatic injuries and halting exsanguination topically is a challenge. Here, an efficient multimodal topical hemostat was developed by (i) ionically crosslinking chitosan and gelatin with sodium tripolyphosphate for (ii) fabricating a robust, highly porous xerogel by lyophilization having 86.7 \% porosity, by micro-CT and large pores similar to 30 mu m by SEM (iii) incorporating 0.5 mg synthesized silica nanoparticles (SiNPs, 120 nm size, -22 mV charge) and 2.5 mM calcium in xemgel composite that was confirmed by FTIR analysis with peaks at 3372, 986 and 788 cm(-1), respectively. XPS analysis displayed the presence of SiNPs (Si2p peak for silicon) and calcium (Ca2p1, Ca2p3 transition peaks) in the composite. Interestingly, in silico percolation simulation for composite revealed interlinked 800 mu m long-conduits predicting excellent absorption capacity and validated experimentally (640 \% of composite dry weight). The composite achieved \>16-fold improved blood clotting in vitro than commercial Celox and Gauze through multimodal interaction of its components with RBCs and platelets. The composite displayed good platelet activation and thrombin generation activities. It displayed high compressive strength (2.45 MPa) and withstood pressure during application. Moreover, xerogel composite showed high biocompatibility. In vivo application of xerogel composite to lethal femoral artery injury in rats achieved hemostasis (2.5 min) significantly faster than commercial Celox (3.3 min) and Gauze (4.6 min) and was easily removed from the wound. The gamma irradiated composite was stable till 1.5 yr. Therefore, the xerogel composite has potential for application as a rapid topical hemostatic agent.

}, keywords = {Hemostatic, Polymer, silica nanoparticles, Xerogel}, issn = {0927-7765}, doi = {10.1016/j.colsurfb.2020.111454}, author = {Patil, Gokul and Torris, Arun and Suresha, P. R. and Jadhav, Sachin and Badiger, V. Manohar and Ghormade, Vandana} } @article {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 {47393, title = {Disordered but efficient: understanding the role of structure and composition of the Co-Pt alloy on the electrocatalytic methanol oxidation reaction}, journal = {Journal of Physical Chemistry C }, volume = {125}, year = {2021}, month = {APR }, pages = {7611-7624}, type = {Article}, abstract = {

A systematic investigation of the electrocatalytic Methanol Oxidation Reaction (MOR) was carried out using a model Co:Pt alloy system with different compositions and structural arrangements of the Co and Pt atoms. The structural variations with the same alloy composition included those with disordered arrangement of Co and Pt atoms in a face-centered cubic (fcc) lattice and ordered arrangements in face-centered tetragonal (fct) lattices. Our investigations clearly show that structures with disordered arrangements with Co:Pt atomic ratios near to 1:1 display better electrocatalytic efficiencies even when compared to pure Pt. These experimental findings were then rationalized by means of Density Functional Theory (DFT) calculations. Electronic level signatures in terms of charge transfer and relative shift in the peaks of the d band for surface metal atoms are proposed to be the reasons for the superior catalytic activity of a particular composition over the others. An increase in the number of inequivalent sites for methanol adsorption in disordered systems appears to result in better catalytic performance in comparison with ordered systems.

}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.0c10165}, author = {Dalavi, Shankar B. and Agarwal, Sheena and Deshpande, Pooja and Joshi, Kavita and Bhagavatula L. V. Prasad} } @article {47352, title = {Effect of CaCl2 and ZnCl2 salts on isobaric vapor-liquid equilibrium in separation of the azeotropic mixture of ethanol plus water}, journal = {Fluid Phase Equilibria}, volume = {537}, year = {2021}, month = {JUN }, pages = {113000}, type = {Article}, abstract = {

Present work analyzes potential of calcium chloride (CaCl2) and zinc chloride (ZaCl(2)) salts as entrainer for breaking the minimum boiling azeotrope of ethanol and water. Isobaric vapor-liquid equilibrium (VLE) data for the binary systems of water + ethanol and ternary system of water + ethanol + calcium chloride, and water + ethanol + zinc chloride were measured at a constant pressure of 94.5 kPa. The effect of salts on the relative volatility of ethanol to water as well as on the vapor phase mole fractions of ethanol were also studied experimentally. From the experimental results, it is observed that with addition of salts, the azeotropic point of the ethanol and water system can be eliminated. Salting out effects in case of calcium chloride was more than that zinc chloride salt. The results obtained in this work showed that calcium chloride could be a better choice for separation of the water + ethanol azeotrope. Electrolyte nonrandom two-liquid (eNRTL) model was used to correlate the experimental VLE data. The model prediction with the regressed parameters was found in well agreement with the experimental data. The experimental data obtained in this work was found thermodynamically consistent using van Ness test. (C) 2021 Elsevier B.V. All rights reserved.

}, keywords = {Azeotrope, eNRTL, Ethanol, salts, Vapor-liquid equilibrium, Water}, issn = {0378-3812}, doi = {10.1016/j.fluid.2021.113000}, author = {Ghuge, Pravin D. and Mali, Nilesh A. and Joshi, Sunil S.} } @article {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 {47736, title = {Elucidating the effect of CaF2 on structure, biocompatibility and antibacterial properties of S53P4 glass (vol 831, 154704, 2020)}, journal = {Journal of Alloys and Compounds}, volume = {883}, year = {2021}, month = {NOV}, pages = {161253}, type = {Correction}, issn = {0925-8388}, doi = {10.1016/j.jallcom.2021.161253}, author = {Prasad, Sakthi and Ganisetti, Sudheer and Jana, Anuradha and Kant, Shashi and Sinha, P. K. and Tripathy, Sucheta and Illath, Kavya and Ajithkumar, T. G. and Annapurna, K. and Allu, Amarnath R. and Biswas, Kaushik} } @article {46660, title = {Estimation of reaction kinetics for aromatic and heterocycles nitration in mixed acids through computational chemistry approach}, journal = {International Journal of Chemical Kinetics}, volume = {53}, year = {2021}, month = {MAR}, pages = {319-332}, type = {Article}, abstract = {

Nitration of aromatic compounds and heterocycles in mixed acid environment is one of the regularly performed large-scale reactions in the chemical industry. Although the reaction mechanism of nitration of aromatics in mixed acid is well established, the development of a methodology for the evaluation of kinetics of exothermic aromatic nitrations in a simplified and accurate way is necessary. Here we evaluate the applicability of a kinetic evaluation methodology based on Hammett{\textquoteright}s acidity function, acidity function, and empirical activity coefficient for the nitration reaction. The contributions from the functional groups on the aromatic ring and quantitative structure-activity relationships technique are considered for these evaluations. Natural bond orbital and magnetic index nucleus independent chemical shift analyses were carried out to obtain the substitution constants. The rate constant and activation energy values were evaluated at various temperatures and sulfuric acid strengths. The results were validated by comparing with the experimental data from the literature for several molecules. The effect of various functional groups (viz carbonyl, carboxyl, methyl, and amine) substituted on the benzene ring was also evaluated. For a few identified substrates, the data were used for estimation of residence time needed for complete conversion in continuous stirred tank reactor and in a plug flow reactor to quantify the effect of substitution constant and strength of sulfuric acid. The approach will help select a suitable reactor.

}, keywords = {Aromatic nitration, computational chemistry, Hammett analogy, mixed acids, Reaction kinetics, reactor selection}, issn = {0538-8066}, doi = {10.1002/kin.21445, Early Access Date = OCT 2020}, author = {Jadhav, Pandurang M. and Pandey, Raj K. and Kulkarni, Amol A.} } @article {47059, title = {Exploring edge functionalised blue phosphorene nanoribbons as novel photocatalysts for water splitting}, journal = {New Journal of Chemistry}, volume = {45}, year = {2021}, month = {FEB}, pages = {3570-3580}, type = {Article}, abstract = {

Hydrogen gas, a highly combustible and eco-friendly fuel is stealing the limelight and its production is one of the major areas of research. An efficient and green method for producing clean hydrogen gas with no harmful by-product is water splitting. With the introduction of low dimensional materials, water splitting has become an easier and cost-effective process. The present work demonstrates the application of one such low dimensional material viz., edge functionalised Blue Phosphorene Nano-Ribbons (BPNRs) as potential photocatalysts. With a carrier mobility of 10(3) cm(2) V-1 s(-1) and a band gap of 1.5-3.0 eV, BPNRs are an attractive candidate for photocatalysis. BPNRs with different edge oreintations, viz. zigzag and armchair are functionalised with CH3O, COOCH3, CHO, COOH, OH, NH2, CONH2, SH, C6H5, and NO2 groups. Their performance towards activating water molecules at different sites on the nanoribbon is studied. The functionalised edges of the BPNRs are the active sites showing similar to 1.2\% to 3.2\% efficiency in activating the O-H bond of the water molecule. Among the different groups explored, CONH2 functionalised zigzag BPNR clearly exhibits a higher potential towards the adsorption of water molecules (-0.98 eV) and activation of O-H bonds with an elongation of 3.2\% and a red shift of 500.6 cm(-1). This is attributed to the lone pair of electrons on the nitrogen atom contributing to the electron donating nature of the CONH2 functional group.

}, issn = {1144-0546}, doi = {10.1039/d0nj03950k}, author = {Maibam, Ashakiran and Chakraborty, Debalina and Joshi, Krati and Krishnamurty, Sailaja} } @article {47639, title = {Fabrication of bacterial nanocellulose/polyethyleneimine (PEI-BC) based cationic adsorbent for efficient removal of anionic dyes}, journal = {Journal of Polymer Research}, volume = {28}, year = {2021}, month = {SEP}, pages = {354}, type = {Article}, abstract = {A bacterial cellulose (BC) based adsorbent was prepared by using polyethyleneimine (PEI) using epichlorohydrin as a cross-linker. The physicochemical characterization of the of the developed adsorbent was carried out using FTIR, BET analysis and SEM, respectively. The dye removal efficiency of the adsorbent was assessed towards two anionic model dyes viz. congo red (CR) and reactive red 120(RR). The kinetic data for the removal of both the anionic dyes were fitted better using pseudo-second-order model. Langmuir model describes well the process of adsorption with predicted maximum adsorption capacity (q(max)) 515.46 and 300.3 mg L-1 for CR (at pH 6.0) and RR (at pH 3.0) respectively. The adsorption-desorption study showed that PEI-BC adsorbent is effective with more than 90\% dye removal efficiency even after four cycles. Furthermore, the bactericidal activity of the adsorbent was analysed using Escherichia coli and Staphylococcus aureus and adsorbent showed good inhibition against both test organisms. The study reveals that PEI-BC adsorbent can be a good candidate for water remediation purpose bearing multifunctional behaviour.}, keywords = {adsorbent, Anionic dyes, Bacterial cellulose, Bactericidal, Polyethyleneimine}, issn = {1022-9760}, doi = {10.1007/s10965-021-02702-y}, author = {Thorat, Meghana N. and Jagtap, Ashish and Dastager, Syed G.} } @article {47414, title = {Finite temperature behavior of carbon atom-doped silicon clusters: depressed thermal stabilities, coexisting isomers, reversible dynamical pathways and fragmentation channels}, journal = {New Journal of Chemistry}, volume = {45}, year = {2021}, month = {MAY}, pages = {8217-8227}, type = {Article}, abstract = {

Silicon carbide clusters are significant due to their predominant occurrence in meteoric star dust, particularly in carbon-rich asymptotic giant branch stars. Of late, they have also been recognized as nanoclusters with potential applications in technology. Them both being elements of the same group, there is excellent potential for precise control over the physico-chemical properties of such molecular length-scale materials through atomic engineering and this has been explored recently by various experimentalists. This report simulates one of the significant physical properties, viz. conformational stability, of various carbon-doped silicon clusters as a function of temperature using Born-Oppenheimer molecular dynamics methodology. Single carbon atom-doped silicon clusters with 4-9 atoms (i.e., Si3C-Si8C) are chosen for this study as the gas phase geometries of these clusters have been characterized using a combination of experimental and theoretical methods in the recent past. The simulations ratify that various conformations do not interconvert among themselves at 300 K. The interconversion occurs at 500 K or above, thereby ratifying the possibility of the coexistence of multiple conformations of a given cluster, which are generally synthesized under subroom temperature conditions. Furthermore, the above single carbon atom-doped silicon clusters: (a) have depressed thermal stabilities as compared to their pristine counterparts with the exception of a Si5C conformation; (b) undergo multifarious evolution of the cluster, through the reversible dynamical and fragmentation pathways as a function of temperature and (c) single carbon atom-doped silicon clusters with 7 atoms (starting from Si6C) and above undergo a fragmentation at nearly 2000 K. The underlying electronic and structural properties of various clusters are discussed to explain the above observations with a note on critical fragmentation energy barriers required for the segmentation of clusters with seven or more atoms.

}, issn = {1144-0546}, doi = {10.1039/d0nj04515b, Early Access Date = MAR 2021}, author = {Joshi, Krati and Maibam, Ashakiran and Krishnamurty, Sailaja} } @article {47441, title = {Flexible metallized carbon nanofibers decorated with two-dimensional NiGa2S4 nanosheets as supercapacitor electrodes}, journal = {Chemical Engineering Journal }, volume = {420}, year = {2021}, month = {SEP }, pages = {130497}, type = {Article}, abstract = {

Herein, high-power flexible supercapacitor electrodes were fabricated by decorating Ni-electroplated carbon nanofibers (Ni@CNF) with two-dimensional NiGa2S4\ nanosheets. The electrical conductivity of carbon nanofibers was enhanced by the addition of nickel, and the energy storage capability was enhanced by decoration with NiGa2S4. The impact of metal (Ni/Ga) ratio on the overall electrochemical performance of the supercapacitor was studied by varying the Ga concentration. The NiGa2S4\ nanosheets promoted diffusion of the electrolyte into the electrode, thereby improving the electrochemical activity. The nanosheets also intensified the charge transfer rate within the composite electrode, which contributed to the overall improvement in the electrochemical performance. The optimal Ga concentration was the concentration at which the specific capacitance was the highest at 488 F{\textperiodcentered}g-1\ with a potential window of 1.1\ V and current rate of 0.5 A{\textperiodcentered}g-1. The long-term stability test revealed that the capacitance retention of the electrode with this optimal Ni/Ga ratio was 109\% after 20,000 cycles. This flexible supercapacitor electrode was subjected to 2000 bending cycles, and the corresponding cyclic voltammetry performance was assessed. In combination, the outstanding electrochemical performance and durable mechanical properties render the NiGa2S4/Ni@CNF electrode highly suitable for flexible energy storage applications.

}, doi = {10.1016/j.cej.2021.130497}, author = {Kim, Yongil and Samuel, Edmund and Joshi, Bhavana and Park, Chanwoo and Lee, Hae-Seok and Yoon, Sam S.} } @article {47347, title = {Functional insights into two Ocimum kilimandscharicum 4-coumarate-CoA ligases involved in phenylpropanoid biosynthesis}, journal = {International Journal of Biological Macromolecules}, volume = {181}, year = {2021}, month = {JUN }, pages = {202-210}, type = {Article}, abstract = {

Plant 4-coumarate-CoA ligase (4CL) catalyzes the ligation of CoA to cinnamic acid and its derivatives. Activated CoA esters are utilized for the biosynthesis of phenolic metabolites and lignin that play essential function in plants. Here, we characterize the diversity of Ocimum kilimandscharicum 4CLs (Ok4CLs). Phylogenetic analysis suggest that Ok4CLs could be grouped into three classes, class I -enzymes mostly involved in lignin biosynthesis, class II -non-structural phenylpropanoid biosynthesis and class III -yet to be characterized for specific role(s). We selected two Ok4CLs namely Ok4CL7 and Ok4CL15 for further characterization. Gene expression analysis sug-gested that Ok4CL7 is highly expressed in leaf trichomes, whereas Ok4CL15 is abundant in the roots. The recom-binant Ok4CL7 and Ok4CL15 had optimal enzyme activities at 40 degrees C in pH 8 and 7, respectively. Ok4CL7 showed substrate preference towards p-coumaric acid, ferulic acid and caffeic acid. While, Ok4CL15 preferredp-coumaric acid, ferulic acid and sinapic acid. Feruloyl adenylate showed higher number of contacts and lowers binding en-ergy with Ok4CL7 and 15 compared to cinnamoyl adenylate. Based on root-specific expression and preference for sinapic acid, Ok4CL15 might be involved in lignin biosynthesis. Further exploration is needed to unravel the role of diverse Ok4CLs in O. kilimandscharicum. (c) 2021 Elsevier B.V. All rights reserved.

}, keywords = {4-Coumarate-CoA ligase, Flavonoids, lignin, Ocimum kilimandscharicum, Phenylpropanoids}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2021.03.129}, author = {Lavhale, Santosh G. and Joshi, Rakesh S. and Kumar, Yashwant and Giri, Ashok P.} } @article {47802, title = {Gibberellic acid induces unique molecular responses in {\textquoteleft}thompson seedless{\textquoteright} grapes as revealed by non-targeted metabolomics}, journal = {Journal of Plant Growth Regulation}, volume = {40}, year = {2021}, month = {FEB}, pages = {293 - 304}, type = {Article}, abstract = {Compact clusters and small berry size are the major problems associated with the commercialization of table grapes. The application of gibberellic acid 3 (GA3) has been a long-followed practice to overcome these issues. To analyze the molecular response of {\textquoteleft}Thompson Seedless{\textquoteright} grapes to GA3 treatment, we investigated the metabolomes of its rachises, clusters, and berries, 6~h and 24~h after the treatment. Metabolite profiling using non-targeted metabolomics approach revealed several metabolites, including arginine, proline, tyrosine, kaempferol, resveratrol, catechin, and so on as possible biomarkers of GA3 treatment in grapes. GA3 treatment greatly impacted the alanine, aspartate, and glutamate metabolism pathways, and the GA3-mediated alterations in the levels of certain plant growth regulators and primary metabolites were in accordance with important growth and developmental processes in grapes. This study highlights the effect of GA3 on the profiles of certain polyphenols impacting the flavone and flavonol biosynthesis pathways and hence the nutritional aspect of grapes. The results of this study would be useful to develop self-elongating varieties simplifying the grape cultivation.}, isbn = {1435-8107}, doi = {10.1007/s00344-020-10102-7}, author = {Jadhav, Uma and Mundhe, Swapnil and Kumar, Yashwant and Jogaiah, Satisha and Upadhyay, Anuradha and Gupta, Vidya S. and Kadoo, Narendra Y.} } @article {46917, title = {Gibberellic acid induces unique molecular responses in {\textquoteleft}thompson seedless{\textquoteright} grapes as revealed by non-targeted metabolomics}, journal = {Journal of Plant Growth Regulation}, volume = {40}, year = {2021}, month = {FEB}, pages = {293-304}, type = {Article}, abstract = {

Compact clusters and small berry size are the major problems associated with the commercialization of table grapes. The application of gibberellic acid 3 (GA(3)) has been a long-followed practice to overcome these issues. To analyze the molecular response of {\textquoteleft}Thompson Seedless{\textquoteright} grapes to GA(3) treatment, we investigated the metabolomes of its rachises, clusters, and berries, 6 h and 24 h after the treatment. Metabolite profiling using non-targeted metabolomics approach revealed several metabolites, including arginine, proline, tyrosine, kaempferol, resveratrol, catechin, and so on as possible biomarkers of GA(3) treatment in grapes. GA(3) treatment greatly impacted the alanine, aspartate, and glutamate metabolism pathways, and the GA(3)-mediated alterations in the levels of certain plant growth regulators and primary metabolites were in accordance with important growth and developmental processes in grapes. This study highlights the effect of GA(3) on the profiles of certain polyphenols impacting the flavone and flavonol biosynthesis pathways and hence the nutritional aspect of grapes. The results of this study would be useful to develop self-elongating varieties simplifying the grape cultivation.

}, keywords = {Biosynthetic pathways, GA(3) response, GA(3) signaling, Sultana grapes, Untargeted metabolomics}, issn = {0721-7595}, doi = {10.1007/s00344-020-10102-7, Early Access Date = MAR 2020}, author = {Jadhav, Uma and Mundhe, Swapnil and Kumar, Yashwant and Jogaiah, Satisha and Upadhyay, Anuradha and Gupta, Vidya S. and Kadoo, Narendra Y.} } @article {47127, title = {Glucosinolate induces transcriptomic and metabolic reprogramming in Helicoverpa armigera}, journal = {3 Biotech}, volume = {11}, year = {2021}, month = {JAN}, pages = {26}, type = {Article}, abstract = {

Glucosinolates protect plants from herbivory. Lepidopteran insects have developed resistance to glucosinolates which is well studied. However, the molecular effects of glucosinolate intake on insects are unexplored. To elucidate this, we performed transcriptomics and metabolomics of sinigrin-fed Helicoverpa armigera. Transcriptomics exhibits significant dysregulation of 2375 transcripts, of which 1575 are upregulated and 800 downregulated. Gene Ontology analysis of differentially expressed genes reveals that key hydrolases, oxidoreductases, and transferases are majorly affected. The negative impact of sinigrin is significant and localized in the endomembrane system and mitochondria. It also disturbs various biological processes such as regulation of protein metabolism and cytoskeletal organization. Furthermore, H. armigera putative myrosinase-like enzymes may catalyze the breakdown of sinigrin to allyl isothiocyanate (AITC). AITC targets the electron transport chain causing oxidative stress. KEGG pathway enrichment shows significant upregulation of oxidative phosphorylation, glutathione metabolism and amino acid metabolism. Activation of these pathways induces glutathione synthesis for sinigrin detoxification. Differential gene expression indicates upregulation of glutathione S-transferase and succinate dehydrogenase suggesting mitochondrial impact. Transcriptomics data correlated with metabolomics show changes in serine, methionine, ornithine, and other metabolite levels. It corroborates well with the transcript alterations supporting the increased glutathione production. Thus, our data suggest that sinigrin generates oxidative stress in H. armigera and insects alter their metabolic wiring to overcome sinigrin-mediated deleterious effects.

}, keywords = {Detoxification, Glucosinolate, Glutathione, mitochondria, Oxidative stress}, issn = {2190-572X}, doi = {10.1007/s13205-020-02596-5}, author = {Jagdale, Shounak and Tellis, Meenakshi and Barvkar, Vitthal T. and Joshi, Rakesh S.} } @article {46598, title = {Glycosyltransferases: the multifaceted enzymatic regulator in insects}, journal = {Insect Molecular Biology}, volume = {30}, year = {2021}, month = {APR}, type = {Article}, abstract = {

Glycosyltransferases (GTs) catalyse the reaction of glyco-conjugation of various biomolecules by transferring the saccharide moieties from an activated nucleotide sugar to nucleophilic glycosyl acceptor. In insects, GTs show diverse temporal and site-specific expression patterns and thus play significant roles in forming the complex biomolecular structures that are necessary for insect survival, growth and development. Several insects exhibit GT-mediated detoxification as a key defence strategy against plant allelochemicals and xenobiotic compounds, as well as a mechanism for pesticide cross-resistance. Also, these enzymes act as crucial effectors and modulators in various developmental processes of insects such as eye development, UV shielding, cuticle formation, epithelial development and other specialized functions. Furthermore, many of the known insect GTs have been shown to play a fundamental role in other physiological processes like body pigmentation, cuticular tanning, chemosensation and stress response. This review provides a detailed overview of the multifaceted functionality of insect GTs and summarizes numerous case studies associated with it.

}, keywords = {Allelochemicals, Detoxification, Development, glycosyltransferases (GTs), insects}, issn = {0962-1075}, doi = {10.1111/imb.12686}, author = {Nagare, M. and Ayachit, M. and Agnihotri, A. and Schwab, W. and Joshi, R.} } @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 {46705, title = {Injectabledextran-fluorenylmethoxycarbonylphenylalanine composite hydrogels with improved mechanical properties}, journal = {Polymer International}, volume = {70}, year = {2021}, month = {FEB}, pages = {222-229}, type = {Article}, abstract = {

Low molecular weight hydrogels are recently gaining importance owing to their applications in material sciences and biology. A new class of composite hydrogel was developed using polysaccharides such as dextran and fluorenylmethoxycarbonyl phenylalanine (FmocF) in a phosphate buffer. The molecular weight and concentration of the dextran were varied to obtain rigid but injectable hydrogels without using other crosslinking agents. From the different molecular weights of dextran studied (5k, 40k and 70k), a combination of FmocF (0.6\% w/v) and dextran 40k (0.012\% w/v) composite gels yielded a maximum value of storage modulus of approximately 1500 Pa, which is 3.5 times higher than the storage modulus of pure FmocF gels. Scanning electron microscopy of FmocF/dextran composite gels revealed highly tangled fibrous structures with dense branches and lower fiber diameter compared to pure FmocF gels. The high-intensity hydrogen-bonded N-H peak in the infrared spectra showed enhanced hydrogen bonding in FmocF/dextran composite gels compared to pure FmocF gels. The dextran acts as an impurity in the process of fibrillation, leading to a crystallographic mismatch, and densely packed thin fibers are formed. These gels exhibited gel to sol and sol to gel conversion with temperature or external stress and showed injectable behavior. (c) 2020 Society of Industrial Chemistry

}, keywords = {Dextran, Fmoc-Phe, hydrogels, injectable gels, Rheology}, issn = {0959-8103}, doi = {10.1002/pi.6118, Early Access Date = SEP 2020}, author = {Abraham, Jancy N. and Joseph, Seena and Trivedi, Rishabh and Karle, Mrunal} } @article {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 {47343, title = {Limonoid biosynthesis 3: functional characterization of crucial genes involved in neem limonoid biosynthesis (vol 184, 112669, 2021)}, journal = {Phytochemistry}, volume = {187}, year = {2021}, month = {JUL}, pages = {112751}, type = {Correction}, issn = {0031-9422}, doi = {10.1016/j.phytochem.2021.112751}, author = {Pandreka, Avinash and Chaya, Patil S. and Kumar, Ashish and Aarthy, Thiagarayaselvam and Mulani, Fayaj A. and Bhagyashree, Date D. and Shilpashree, H. B. and Jennifer, Cheruvathur and Ponnusamy, Sudha and Nagegowda, Dinesh and Thulasiram, Hirekodathakallu V.} } @article {47033, title = {Limonoid biosynthesis 3: functional characterization of crucial genes involved in neem limonoid biosynthesis}, journal = {Phytochemistry}, volume = {184}, year = {2021}, month = {APR}, pages = {112669}, type = {Article}, abstract = {

Neem (Azadirachta indica L.) is well known for its medicinal, agricultural, and pesticidal applications since ages. The secondary metabolites, limonoids, confer these biological properties, wherein over 150 different limonoids have been reported from neem. To understand limonoid biosynthesis, we analyzed tissue-specific (kernel, pericarp, leaves, and flower) transcriptome that resulted in the identification of one farnesyl diphosphate synthase (AiFDS), one squalene synthase (AiSQS), three squalene epoxidases (AiSQE1, AiSQE2, and AiSQE3), two triterpene synthases (AiTTS1 and AiTTS2), cycloartenol synthase (AiCAS), two cytochrome P450 reductases, and ten cytochrome P450 systems. Comparative tissue-expression analysis indicated that AiFDS, AiSQS, AiSQE3, and AiTTS1 are expressed higher in the kernel than in the other tissues. Heterologously expressed recombinant AiTTS1 produced tirucalla-7,24-dien-3 beta-ol as the sole product. Expression profile data, phylogeny with triterpene synthases from Meliaceae and Rutaceae families, real-time PCR of different tissues, and transient transformation revealed the involvement of tirucalla-7,24-dien-3 beta-ol synthase (AiTTS1) in limonoid biosynthesis. Further, mutagenesis studies of AiTTS1 indicated that Y125 and F260 are probably involved in stabilization of dammarenyl cation. A 2.6-fold increase in production of tirucalla-7,24-dien-3 beta-ol was observed when AiSQE1 was coexpressed with mutant AiTTS1 in a yeast system. Furthermore, we functionally characterized the highly expressed cytochrome P450 reductases and cycloartenol synthase. This study helps in further analysis and identification of genes involved in limonoid biosynthesis in Meliaceae/Rutaceae and their production in a metabolically tractable heterologous system.

}, keywords = {24-dien-3 beta-ol, Azadirachta indica A. Juss., Cytochrome P450 system, Limonoids, Meliaceae, Tirucalla-7, Transcriptome}, issn = {0031-9422}, doi = {10.1016/j.phytochem.2021.112669}, author = {Pandreka, Avinash and Chaya, Patil S. and Kumar, Ashish and Aarthy, Thiagarayaselvam and Mulani, Fayaj A. and Bhagyashree, Date D. and Shilpashree, H. B. and Jennifer, Cheruvathur and Ponnusamy, Sudha and Nagegowda, Dinesh and Thulasiram, V. Hirekodathakallu} } @article {47034, title = {Loss of a water-mediated network results in reduced agonist affinity in a beta(2)-adrenergic receptor clinical variant}, journal = {Biochimica ET Biophysica Acta-Proteins and Proteomics}, volume = {1869}, year = {2021}, month = {APR}, pages = {140605}, type = {Article}, abstract = {

The beta(2)-adrenergic receptor (beta(2)AR) is a member of the G protein-coupled receptor (GPCR) family that is an important drug target for asthma and COPD. Clinical studies coupled with biochemical data have identified a critical receptor variant, Thr164Ile, to have a reduced response to agonist-based therapy, although the molecular mechanism underlying this seemingly {\textquoteleft}{\textquoteleft}non-deleterious{\textquoteright}{\textquoteright} substitution is not clear. Here, we couple molecular dynamics simulations with network analysis and free-energy calculations to identify the molecular determinants underlying the differential drug response. We are able to identify hydration sites in the transmembrane domain that are essential to maintain the integrity of the binding site but are absent in the variant. The loss of these hydration sites in the variant correlates with perturbations in the intra-protein interaction network and rearrangements in the orthosteric ligand binding site. In conjunction, we observe an altered binding and reduced free energy of a series of agonists, in line with experimental trends. Our work identifies a functional allosteric pathway connected by specific hydration sites in beta(2)AR that has not been reported before and provides insight into water-mediated networks in GPCRs in general. Overall, the work is one of the first step towards developing variant-specific potent and selective agonists.

}, keywords = {beta(2)-Adrenergic receptor, G protein coupled receptor, GPCR, molecular dynamics, Pharmacogenetics, SNP}, issn = {1570-9639}, doi = {10.1016/j.bbapap.2021.140605}, author = {Nikte, V. Siddhanta and Sonar, Krushna and Tandale, Aditi and Joshi, Manali and Sengupta, Durba} } @article {47649, title = {Lowering the C-H bond activation barrier of methane by means of SAC@Cu(111): periodic DFT investigations}, journal = {New Journal of Chemistry}, volume = {46}, year = {2021}, month = {DEC }, pages = {70-74}, type = {Article}, abstract = {Methane has long captured the world{\textquoteright}s attention for being the simplest yet one of the most notorious hydrocarbons. Exploring its potential to be converted into value-added products has raised compelling interest. In the present work, we have studied the efficiency of single-atom catalysts (SACs) for methane activation employing density functional theory (DFT). The climbing image-nudged elastic band (CI-NEB) method is used in tandem with the improved dimer (ID) method to determine the minimum energy pathway for the first C-H bond dissociation of methane. Our study reported that the transition-metal doped Cu(111) surfaces enhance the adsorption, activate the C-H bond, and reduce the activation barrier for first C-H bond cleavage of methane. The results suggest Ru-/Co-/Rh-doped Cu(111) as promising candidates for methane activation with a minimal activation barrier and a less endothermic reaction. For these SACs, the calculated activation barriers for the first C-H bond cleavage are 0.17 eV, 0.24 eV, and 0.26 eV respectively, which is substantially lower than 1.13 eV, the activation barrier for Cu(111).}, issn = {1144-0546}, doi = {10.1039/d1nj04525c}, author = {Bhati, Meema and Dhumal, Jignesh and Joshi, Kavita} } @article {47681, title = {Magnetic and magnetoelastic properties of Ni-substituted cobalt ferrite}, journal = {IEEE Magnetics Letters}, volume = {12}, year = {2021}, month = {JAN}, pages = {2504205}, type = {Article}, abstract = {In this letter, magnetic and magnetostriction studies were performed on spinel ferrite Co1-xNixFe2O4 (CNF series) with 0.0 < x < 0.5. All the samples were synthesized by the conventional ceramic method and confirmed to be forming pure spinel phase. The unit cell parameter showed gradual decrease with increasing Ni content. A linear decrease in saturation magnetization (M-s) and coercivity (H-c) was observed with increasing Ni substitution, which could be attributed to reduced magneto-crystalline anisotropy. The room temperature magnetostriction studies revealed a slow decrease in maximum magnetostriction, and interestingly, for 20\% reduction of cobalt concentration, i.e., for x = 0.2, a magnetostrictive strain of -164 ppm and substantially high stress sensitivity of -56 x 10(-6) A(-1) m were observed, making Co0.8Ni0.2Fe2O4 suitable for application as a magnetostrictive stress-sensing material.}, keywords = {Ferrite, Magnetism in solids, Magnetostriction, oxide, stress sensing}, issn = {1949-307X}, doi = {10.1109/LMAG.2021.3120942}, author = {Bhame, Shekhar D. and Shirolkar, Mandar M. and Joy, Pattayil A.} } @article {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 {47337, title = {Micro-computed tomographic analysis of the marginal adaptation of a calcium silicate-based cement to radicular dentin after removal of three different intracanal medicaments - an in vitro study}, journal = {Journal of Conservative Dentistry}, volume = {23}, year = {2021}, month = {FEB}, pages = {598-603}, type = {Article}, abstract = {

Context:\ This study focuses on the marginal adaptation of a calcium silicate-based cement to the root dentin after retrieval of different intracanal medicaments.

Aim:\ This study compared the marginal adaptation of a calcium silicate-based cement to radicular dentin in the apical third of the root canal following the use of three different intracanal medicaments.

Materials and methods:\ Forty single-rooted premolar teeth (n\ = 40) were decoronated 13 mm above the root apices; then, 3 mm of the root tips were resected to standardize the root length. Orthograde cleaning and shaping were done using the rotary files and apical enlargement using peeso reamers. Depending on the intracanal medicament used, the samples were equally divided into four groups: Group 1 - control, Group 2 - Metapex, Group 3 - triple antibiotic paste (TAP), and Group 4 - calcium hydroxide with Propolis. Subsequently, the medicament was removed and a 3 mm apical barrier of BiodentineTM\ was placed and later scanned using an ex vivo micro-computed tomography scanner.

}, doi = {10.4103/JCD.JCD_561_20}, author = {Jain, Ruchika Nirmal and Abraham, Sathish and Karad, Rohini Ramesh and Najan, Harshal Balasaheb and Vaswani, Sneha Dhruvkumar and Torris, Arun} } @article {47070, title = {Molecular characterization of the beta(2)-like octopamine receptor of helicoverpa armigera}, journal = {Journal of Membrane Biology}, volume = {254}, year = {2021}, month = {JUN}, type = {Article}, abstract = {

Helicoverpa armigera is a devastating polyphagous and cosmopolitan crop pest. There are reports of this insect being resistant to a variety of pesticides raising concern worldwide. The Octopamine (OA) binding beta(2)-like receptor (OAR), a GPCR, is widely distributed in the nervous system of the insect and plays essential roles in the physiology and development and thus is an important target for insecticides. Yet, the molecular characterization of the H. armigera OAR (HarmOAR) and rational design of compounds based on this receptor is lacking. As a first step, we performed multiple sequence alignment of all insect OARs, which revealed that the sequences contained all conserved class A GPCR motifs. Phylogenetic studies showed clade-specific variations in the protein sequences primarily arising owing to differences in the ICL3 loop region. Further, a structural model of HarmOAR was built using the inactive human beta(2)AR as a template. 0.9 mu s atomistic simulations revealed conserved inter helical contacts and water molecules of HarmOAR. The detailed binding of octopamine was studied using molecular docking and 0.3 mu s atomistic simulations. Twenty-two insecticides active against octopamine receptors of other insects were compiled and docked to HarmOAR followed by rescoring with binding free energies to prioritize them for H. armigera. Our study suggests alpha-terpineol to be a good candidate as an insecticide or insect repellent for Helicoverpa armigera.

}, keywords = {docking, Helicoverpa armigera, Insecticides, molecular dynamics, Octopamine receptor, Phylogeny}, issn = {0022-2631}, doi = {10.1007/s00232-021-00172-3, Early Access Date = FEB 2021}, author = {Gujar, Nidhi and Nikte, V, Siddhanta and Joshi, Rakesh S. and Joshi, Manali} } @article {47095, title = {Molecular investigation of glycated insulin-induced insulin resistance via insulin signaling and AGE-RAGE axis}, journal = {Biochimica ET Biophysica Acta-Molecular Basis of Disease}, volume = {1867}, year = {2021}, month = {FEB }, pages = {166029}, type = {Article}, abstract = {

Hyperglycemic condition in diabetes promotes glycation of various plasma proteins including insulin. Glycation of insulin has been reported to reduce its biological activity. Reduced biological activity of glycated insulin could be either due to reduced affinity for the insulin receptor and impaired insulin signaling, or it can act as a ligand for the receptor for advanced glycation end products (RAGE) and activates oxidative stress and pro-inflammatory pathways leading to insulin resistance. This study investigates the effect of glycated insulin on both insulin and RAGE signaling. Glycated insulin treatment to Chinese hamster ovary (CHO-IR-GLUT4) cells stably expressing insulin receptor (IR) and glucose transporter fused with a green fluorescent protein (GLUT4-GFP) resulted in the impairment of insulin signaling, as the phosphorylation of IR and AKT significantly reduced, which affected GLUT4 translocation and glucose uptake. Moreover, it also activated RAGE signaling as observed by increased expression of NADPH oxidase accompanied by an increase in reactive oxygen species (ROS). Immunofluorescence study indicated the translocation of NF-kappa B to the nucleus upon treatment of glycated insulin. This was associated with increased RAGE expression, Caspase 3, and cell death. Downregulation of RAGE with the losartan treatment restored the impaired insulin signaling and glucose uptake. Additionally, in silico study demonstrated that glycated insulin has reduced binding affinity to insulin receptor and increased binding affinity to RAGE. Overall, this study demonstrates the role of glycated insulin in exacerbating insulin resistance by impairing insulin signaling as well as stimulating AGE-RAGE signaling.

}, keywords = {AGE, Diabetes, Glycation, Hyperglycemia, insulin, RAGE}, issn = {0925-4439}, doi = {10.1016/j.bbadis.2020.166029}, author = {Walke, Prachi B. and Bansode, Sneha B. and More, Nikita P. and Chaurasiya, Arvindkumar H. and Joshi, Rakesh S. and Kulkarni, Mahesh J.} } @article {47619, title = {Molecularly engineered graphene oxide anchored metal organic assembly: an active site economic bi-functional electrocatalyst}, journal = {FlatChem}, volume = {29}, year = {2021}, month = {SEP}, pages = {100269}, type = {Article}, abstract = {Low-temperature fuel cells are the most promising sustainable energy technology as they use hydrogen, an environmentally clean fuel. However, the sluggish kinetics of oxygen electrochemistry, a chronic issue, is holding them from commercialization. Herein, we address this issue through a molecular level design of a Graphene oxide anchored Metal Organic Molecular Assembly (G-MOMA) based catalyst. This non-precious metal catalyst consists of Ni and Fe ions ligated by graphene oxide supported terpyridine, a unique molecular assembly design that maximizes the utilization of active metal centers. This G-MOMA catalyst brings down an over potential (240 mV) for oxygen evolution reaction (OER) as close as that of the bench mark catalyst Ru/C with an impressive Tafel slope of 58 mV/dec and a cyclic stability of >30,000 cycles. G-MOMA excels in oxygen reduction reaction (ORR) too with an onset at 0.88 V (vs RHE). The remarkably stable G-MOMA catalyst surprises with an excellent bi-functionality towards both OER and ORR with an overall potential difference of mere 0.77 V, which is 180 mV and 70 mV lesser than the standard Pt/C and Ru/C catalysts, respectively. The G-MOMA catalyst is well in the activity range of the state-of-art bi-functional catalysts and yet cheaper by many folds.}, keywords = {Bi-functional electrocatalyst, graphene oxide, Metal organic molecular assembly, Oxygen Evolution Reaction, oxygen reduction reaction, terpyridine}, issn = {2452-2627}, doi = {10.1016/j.flatc.2021.100269}, author = {Jhajharia, Suman Kumari and Selvaraj, Kaliaperumal} } @article {47054, title = {Mycology and mycotechnology on postal stamps}, journal = {Current Science}, volume = {120}, year = {2021}, month = {FEB}, pages = {628-636}, type = {Article}, abstract = {

Mycology, the study of fungal biology, and philately, the study of postage stamps, are rarely connected, as they are very different activities. However, philatelic mycology can raise awareness of the facets of fungi which contribute significantly to human welfare. Fungi are photogenic and exhibit physiological wonders such as luminescence. They are important in biotechnology for their secondary metabolites. So, stamps depicting fungi signal the recognition of problems and prospects of prosperity posed by fungi in nutrition and health, agriculture, engineering, industry and ecology. Many countries have issued thousands of stamps on fungi. India with a rich heritage of fungal diversity lags in this respect. This article hopes to inspire action by celebrating the beauty and significance of fungi in the art of philately.

}, keywords = {mycology, mycophilately, Mycotechnology, photogenic appeal, postal stamps}, issn = {0011-3891}, doi = {10.18520/cs/v120/i4/628-636}, author = {Ghormade, Vandana and Pathan, Ejaj and Jyoti, Jeevan and Vartak, Ajit and Deshpande, Mukund} } @article {47386, title = {NHC-catalyzed desymmetrization of N-aryl maleimides leading to the atroposelective synthesis of N-Aryl succinimides}, journal = {Angewandte Chemie-International Edition}, volume = {60}, year = {2021}, month = {MAY }, pages = {12264-12268}, type = {Article}, abstract = {

Although the construction of axially chiral C-C bonds leading to the atroposelective synthesis of biaryls and allied compounds are well-known, the related synthesis of compounds bearing axially chiral C-N bonds are relatively rare. Described herein is the N-heterocyclic carbene-catalyzed atroposelective synthesis of N-aryl succinimides having an axially chiral C-N bond via the desymmetrization of N-aryl maleimides. The NHC involved intermolecular Stetter-aldol cascade of dialdehydes with prochiral N-aryl maleimides followed by oxidation afforded N-aryl succinimides in good yields and ee values. Preliminary studies on rotation barrier for the C-N bond, the temperature dependence, and detailed DFT studies on mechanism are also provided.

}, keywords = {asymmetric catalysis, axial chirality, desymmetrization, N-heterocyclic carbenes, organocatalysis}, issn = {1433-7851}, doi = {10.1002/anie.202016938, Early Access Date = APR 2021}, author = {Barik, Soumen and Shee, Sayan and Das, Soumik and Gonnade, Rajesh G. and Jindal, Garima and Mukherjee, Subrata and Biju, Akkattu T.} } @article {47412, title = {Nickel-catalyzed C-H bond functionalization of azoles and indoles}, journal = {Chemical Record}, volume = {21}, year = {2021}, month = {DEC}, pages = {3573-3588}, type = {Article}, abstract = {

Direct C-H functionalization of privileged and biologically relevant azoles and indoles represents an important chemical transformation in molecular science. Despite significant progress in the palladium-catalyzed regioselective C-H functionalization of azoles and indoles, the use of abundant and less expensive nickel catalyst is underdeveloped. In the recent past, the nickel-catalyzed regioselective C-H alkylation, arylation, alkenylation and alkynylation of azoles and indoles have been substantially explored, which can be applied to the complex organic molecule synthesis. In this Account, we summarize the developments in nickel-catalyzed regioselective functionalization of azoles and indoles with a considerable focus on the reaction mechanism.

}, keywords = {azoles, C-C Bond formation, C-H functionalization, indoles, Nickel}, issn = {1527-8999}, doi = {10.1002/tcr.202100113, Early Access Date = JUN 2021}, author = {Jagtap, Rahul A. and Punji, Benudhar} } @article {47650, title = {One-pot bioconversion of tomato waste into poly-gamma-glutamic acid (gamma-PGA) biopolymer by a novel biocatalyst}, journal = {ACS Sustainable Chemistry \& Engineering}, volume = {9}, year = {2021}, month = {NOV }, pages = {14330-14334}, type = {Article}, abstract = {Landfilling of rotten tomatoes can lead to environmental instability and a huge economic loss to the producers. This letter reports an effective valorization of tomato waste into a promising biopolymer, i.e., poly-gamma-glutamic acid (gamma-PGA) by a novel biocatalyst Bacillus paralicheniformis NCIM 5769. The gamma-PGA is one of the most expensive biopolymers with multifarious applications in wound healing, drug delivery, and regenerative medicine fields. However, its adoption into various applications is finite due to its exorbitant production cost. Herein, rotten tomatoes (without additional nutrient supplementation) served as the chassis for the fermentative production of 40 g/L of highly pure gamma-PGA within 48 h at ambient temperature. Further, NMR, DSC, and TGA confirmed the purity of synthesized gamma-PGA identical to standard gamma-PGA. This process has potential in the commercialization of.-PGA by significantly reducing the production cost, followed by the effective utilization of tomato waste leading to United Nations Sustainable Development Goal 12 (i.e., ensure sustainable consumption and production patterns).}, keywords = {Commercialization, Poly-gamma-glutamic acid, Rotten tomatoes, United Nations Sustainable Development Goals, Waste utilization}, issn = {2168-0485}, doi = {10.1021/acssuschemeng.1c05362}, author = {Nair, Pranav G. and Joseph, Emmanuel and Killi, Naresh and Konchada, Sravanya and Nisal, Anuya and Gundloori, Rathna Venkata Naga and Dharne, Mahesh S.} } @article {47461, title = {Oxidative stress induced by piperine leads to apoptosis in Candida albicans}, journal = {Medical Mycology}, volume = {59}, year = {2021}, month = {APR}, pages = {366-378}, type = {Article}, abstract = {

Candida albicans is a member of pathogens with potential drug resistance threat that needs novel chemotherapeutic strategies. Considering the multifarious biological activities including bioenhancer activity, anti-Candida potential of piperine was evaluated against planktonic/biofilm and hyphal growth of C. albicans alone or in combination as a synergistic agent with fluconazole. Piperine inhibits planktonic growth at or less than 15 mu g/ml, hyphae induction at 5 mu g/ml concentration, and exhibits stage-dependent activity against biofilm growth of a fluconazole-resistant strain of C. albicans (ATCC10231). Though piperine couldn{\textquoteright}t kill inoculum completely at minimum inhibitory concentration (MIC), it is fungicidal at higher concentrations, as shown in apoptosis assay. FIC index values indicate that piperine exhibits excellent synergistic activity with fluconazole against planktonic (0.123) and biofilm (0.215) growth of an FLC resistant strain. Mode of anti-Candida activity was studied by identifying piperine responsive proteins wherein the abundance of 25 proteins involved in stress response, signal transduction and cell cycle were modulated (22 up and 3 downregulated) significantly in response to piperine (MIC50). Modulation of the proteins involved suggests that piperine affectsmembrane integrity leading to oxidative stress followed by cell cycle arrest and apoptosis in C. albicans. Flow cytometry-basedmitochondrialmembrane potential (MMP), cell cycle and apoptosis assay, as well as real-time quantitative polymerase chain reaction analysis of selected genes, confirms piperine induced oxidative stress (TRR1), cell cycle arrest and apoptosis (CaMCA1). Based on our results, we conclude that piperine inhibits planktonic and difficult-to treat-biofilm growth of C. albicans by affecting membrane integrity thereby inducing oxidative stress and apoptosis. Lay Abstract Piperine inhibit Candida albicans growth (planktonic and biofilm) significantly in our study. Piperine exhibits excellent synergistic potential with fluconazole The proteome analysis suggests that piperine induced membrane damage leads to oxidative stress followed by cell cycle arrest and apoptosis.

}, keywords = {Apoptosis, C. albicans, drug resistance, piperine, proteomics, synergy}, issn = {1369-3786}, doi = {10.1093/mmy/myaa058}, author = {Thakre, Archana and Jadhav, Vyankatesh and Kazi, Rubina and Shelar, Amruta and Patil, Rajendra and Kharat, Kiran and Zore, Gajanan and Karuppayil, S. Mohan} } @article {47428, title = {Partially bio-based triarylamine-containing polyimides: synthesis, characterization and evaluation in non-volatile memory device applications}, journal = {European Polymer Journal}, volume = {147}, year = {2021}, month = {MAR }, pages = {110327}, type = {Article}, abstract = {

A new triarylamine-containing diamine, viz. 4, 4{\textquoteright}-diamino-4 {\textquoteleft}{\textquoteright} pentadecyltriphenylamine was synthesised starting from cashew nut shell liquid (CNSL) - a non-edible by-product of cashew processing industry. Three new partially bio-based triarylamine-containing polyimides were synthesised by one-step high temperature solution poly-condensation of 4, 4{\textquoteright}-diamino-4 {\textquoteleft}{\textquoteright} pentadecyltriphenylamine with aromatic dianhydrides, namely, 3,3{\textquoteright},4,4{\textquoteright}-biphenyltetracarboxylic dianhydride (BPDA), 4,4{\textquoteright}-oxydiphthalic anhydride (ODPA) and 4,4{\textquoteright}-(hexa-fluoroisopropylidene) diphthalic anhydride (6-FDA). Polyimides were determined to be of reasonably high molecular weights as inherent viscosity and number average molecular weights (M-n, Polystyrene standard) values were in the range 0.54-0.60 dL g(-1) and 26,800-43,500 g mol(-1), respectively. Polyimides exhibited excellent solubility in common organic solvents and film-forming nature along with reasonably good thermal properties as indicated by temperature for 10\% weight loss (T-10) and glass transition temperatures (T-g) which were in the range 418-447 and 165-225 degrees C, respectively. The optical and electrochemical band-gap values were in the range of 1.95-1.98 eV and 1.671-1.745 eV, respectively. Among triarylamine-containing polyimide devices, BPDA-based device showed acceptable current-voltage and non-volatile memory properties such as the endurance of 500 cycles and 1000 s of retention time. The conduction mechanism developed in the memory devices was also explored and was found to follow Ohmic and Schottky conduction mechanisms.

}, keywords = {Bio-based polyimides, CNSL, Memory device, pentadecyl, Triarylamine}, issn = {0014-3057}, doi = {10.1016/j.eurpolymj.2021.110327}, author = {Chatterjee, Deepshikha and Jadhav, Uday A. and Javaregowda, Bharathkumar H. and Dongale, Tukaram D. and Patil, Pramod S. and Wadgaonkar, Prakash P.} } @article {47344, title = {pH-dependent protein stability switch coupled to the perturbed pKa of a single ionizable residue}, journal = {Biophysical Chemistry}, volume = {274}, year = {2021}, month = {JUL}, pages = {106591}, type = {Article}, abstract = {

The contribution of electrostatic interactions in protein stability has not been fully understood. Burial of an ionizable amino acid inside the hydrophobic protein core can affect its ionization equilibrium and shift its pKa differentially in the native (N) and unfolded (U) states of a protein and this coupling between the folding/ unfolding cycle and the ionization equilibria of the ionizable residue can substantially influence the protein stability. Here, we studied the coupling of the folding/unfolding cycle with the ionization of a buried ionizable residue in a multi-domain protein, Human Serum Albumin (HSA) using fluorescence spectroscopy. A pHdependent change in the stability of HSA was observed in the near native pH range (pH 6.0-9.0). The protonation-deprotonation equilibrium of a single thiol residue that is buried in the protein structure was identified to give rise to the pH-dependent protein stability. We quantified the pKa of the thiol residue in the N and the U states. The mean pKa of the thiol in the N state was upshifted by 0.5 units to 8.7 due to the burial of the thiol in the protein structure. Surprisingly, the mean pKa of the thiol in the U state was observed to be downshifted by 1.3 units to 6.9. These results indicate that some charged residues are spatially proximal to the thiol group in the U state. Our results suggest that, in addition to the N state, electrostatic interactions in the U state are important determinants of protein stability.

}, keywords = {electrostatic interactions, Fluorescence spectroscopy, Thermodynamic stability, Unfolded proteins}, issn = {0301-4622}, doi = {10.1016/j.bpc.2021.106591}, author = {Mishra, Prajna and Patni, Divya and Jha, Santosh Kumar} } @article {47502, title = {Photoactive anthraquinone-based host-guest assembly for long-lived charge separation}, journal = {Journal of Physical Chemistry C }, volume = {125}, year = {2021}, month = {MAY}, pages = {10891-10900}, type = {Article}, abstract = {Porous 2D covalent organic frameworks (COF) that are assembled axially through weak p-stacking interactions can provide reticular charge transport channels while playing host to kinetically stabilized reactive molecular redox states. Here we demonstrate a host-guest supramolecular charge transfer (CT) assembly using photoactive anthraquinone-based COF as an acceptor while incarcerating the electron donor N,N-dimethylaniline (DMA) inside it. Employing femtosecond broadband transient absorption spectroscopy in combination with electron paramagnetic resonance (EPR) studies, we show that the CT occurs rapidly within <110 fs after photoexcitation, subsequently leading to long-lived charge separation with 13\% quantum efficiency at room temperature. The photoinduced EPR signature of the long-lived confined DMA cation radical confirms the disparate regions of charge localization while H-1-C-13 correlation experiments using solid-state NMR spectroscopy enumerate the packing of the amines inside the host-guest COF assembly. Our work demonstrates the potency of charge transport pathways in supramolecular assemblies for efficient charge separation which if optimally tuned should pave the way for COF-based photocatalytic reaction centers.}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.1c02497}, author = {Jha, Ajay and Mote, Kaustubh R. and Chandra, Suman and Madhu, Perunthiruthy K. and Dasgupta, Jyotishman} } @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 {47748, title = {Possible electron doping of geometrically perfect spin-1/2 kagome-lattice barlowite by reduced graphene oxide}, journal = {Physical Review B}, volume = {104}, year = {2021}, month = {SEP }, pages = {L100418}, type = {Letter}, abstract = {Doping of quantum spin liquid (QSL) insulators by electron or hole leads to intriguing phase transitions to metallic and superconducting states. The barlowite family with geometrically perfect S = 1/2 kagome planes and tunable interkagome coupling is an emerging platform to realize spin-ordered, valence bond crystal, QSL states. Theoretical investigations on electron doping revealed localized states in the band gap of barlowite unlike metallicity in cuprate (Nd2CuO4). We present successful anchoring of phase-pure barlowite crystallites onto reduced graphene oxide (rGO). The resulting barlowite-rGO system was found to be an electrical semiconductor with Arrhenius activation energy of 0.07 eV. Semiconducting properties of the barlowite-rGO system were further modulated with retention of structural integrity. We have attributed such a transformation of electrical transport response to plausible electron doping thereby making charge-doping experiments on barlowite and its analogs propitious.}, issn = {2469-9950}, doi = {10.1103/PhysRevB.104.L100418}, author = {Gupta, Kriti and Ninawe, Pranay and Jain, Anil and Dadwal, Arun and Anas, M. and Malik, V. K. and Yusuf, S. M. and Joy, Pattayil A. and Ballav, Nirmalya} } @article {47663, title = {Protonation-deprotonation switch controls the amyloid-like misfolding of nucleic-acid-binding domains of TDP-43}, journal = {Journal of Physical Chemistry B}, volume = {125}, year = {2021}, month = {AUG }, pages = {8383-8394}, type = {Article}, abstract = {Nutrient starvation stress acidifies the cytosol and leads to the formation of large protein assemblies and misfolded aggregates. However, how starvation stress is sensed at the molecular level and leads to protein misfolding is poorly understood. TDP-43 is a vital protein, which, under stress-like conditions, associates with stress granule proteins via its functional nucleic-acid-binding domains (TDP-43(t)(RRM)) and misfolds to form aberrant aggregates. Here, we show that the monomeric N form of TDP-43(t)(RRM) forms a misfolded amyloid-like protein assembly, beta form, in a pH-dependent manner and identified the critical protein side-chain residue whose protonation triggers its misfolding. We systematically mutated the three buried ionizable residues, D105, H166, and H256, to neutral amino acids to block the pH-dependent protonation-deprotonation titration of their side chain and studied their effect on the N-to-beta transition. We observed that D105A and H2S6Q resembled TDP-43(t)(RRM) in their pH-dependent misfolding behavior. However, H166Q retains the N-like secondary structure under low-pH conditions and does not show pH-dependent misfolding to the beta form. These results indicate that H166 is the critical side-chain residue whose protonation triggers the misfolding of TDP-43(t)(RRM) and shed light on how stress-induced misfolding of proteins during neurodegeneration could begin from site-specific triggers.}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.1c03262}, author = {Patni, Divya and Jha, Santosh Kumar} } @article {47464, title = {Reactions of 2,3-dibromonaphthalene-1,4-dione and pyridyl amines: X-ray structures, DFT investigations, and selective detection of the Hg2+ and Ni2+ ions}, journal = {Engineered Science}, volume = {14}, year = {2021}, month = {FEB}, pages = {78-93}, type = {Article}, abstract = {

In this work, the products formed by the reaction between 2,3-dibromonaphthalene-1,4-dione with (pyridine-2-yl)methanamine and (pyridine-4-yl)methanamine are discussed in detial. The products 2-amino-3-bromonaphthalene-1,4-dione (A) and 2-aminonaphthalene-1,4-dione (B(1)) obtained are characterized through\ 1H and\ 13C-NMR, FTIR, mass spectrometry, single-crystal X-ray diffraction experiments, which are in conjunction with wB97X based density functional theory.\ compound\ A\ can effectively and selectively detect Hg2+\ and Ni2+\ ions, and proposes a potential mechanism of action.

}, issn = {2576-9898}, doi = {10.30919/es8d427}, author = {Aggrwal, Gunjan and Salunke-Gawali, Sunita and Gejji, Shridhar P. and Nikalje, Milind and Chakravarty, Debamitra and Verma, Prakash L. and Gosavi-Mirkute, Prajkta and Harihar, Shital and Jadhav , Mahesh and Puranik, Vedavati G.} } @article {47126, title = {Repurposing the McoTI-II rigid molecular scaffold in to inhibitor of {\textquoteleft}papain superfamily{\textquoteright} cysteine proteases}, journal = {Pharmaceuticals}, volume = {14}, year = {2021}, month = {JAN}, pages = {7}, type = {Article}, abstract = {

Clan C1A or {\textquoteleft}papain superfamily{\textquoteright} cysteine proteases are key players in many important physiological processes and diseases in most living systems. Novel approaches towards the development of their inhibitors can open new avenues in translational medicine. Here, we report a novel design of a re-engineered chimera inhibitor Mco-cysteine protease inhibitor (CPI) to inhibit the activity of C1A cysteine proteases. This was accomplished by grafting the cystatin first hairpin loop conserved motif (QVVAG) onto loop 1 of the ultrastable cyclic peptide scaffold McoTI-II. The recombinantly expressed Mco-CPI protein was able to bind with micromolar affinity to papain and showed remarkable thermostability owing to the formation of multi-disulphide bonds. Using an in silico approach based on homology modelling, protein-protein docking, the calculation of the free-energy of binding, the mechanism of inhibition of Mco-CPI against representative C1A cysteine proteases (papain and cathepsin L) was validated. Furthermore, molecular dynamics simulation of the Mco-CPI-papain complex validated the interaction as stable. To conclude, in this McoTI-II analogue, the specificity had been successfully redirected towards C1A cysteine proteases while retaining the moderate affinity. The outcomes of this study pave the way for further modifications of the Mco-CPI design for realizing its full potential in therapeutics. This study also demonstrates the relevance of ultrastable peptide-based scaffolds for the development of novel inhibitors via grafting.

}, keywords = {Cathepsin, Clan CA cysteine proteases, cyclotide, cystatin, McoTI-II, papain, protein engineering}, doi = {10.3390/ph14010007}, author = {Mishra, Manasi and Singh, Vigyasa and Tellis, Meenakshi B. and Joshi, Rakesh S. and Singh, Shailja} } @article {47358, title = {Resonance study: effect of partial triples excitation using complex absorbing potential-based Fock-space multi-reference coupled cluster}, journal = {International Journal of Quantum Chemistry}, volume = {121}, year = {2021}, month = {SEP}, pages = {e26738}, type = {Article; Early Access}, abstract = {

Resonances are metastable states with finite lifetime. They play important role in physics, chemistry and biology. The theoretical calculation of resonance state is a challenging problem. In this paper we have studied the shape resonance of Be, Mg, N-2 and CO. We have used correlated independent particle approximation to the Fock space multi-reference coupled cluster singles-doubles with third-order triples (CAP-CIP-FSMRCCSD(T)) method augmented by complex absorption potential. The resonance energy and decay widths are obtained by solving a non-Hermitian eigen-value problem within FSMRCC framework. The effects of the lowest order triples on the resonance energy and decay are studied.

}, keywords = {complex absorbing potential, electron affinity, Fock\&\#8208, negative ion resonance, partial triples, space MRCC}, issn = {0020-7608}, doi = {10.1002/qua.26738, Early Access Date = MAY 2021}, author = {Jana, Irina and Basumallick, Suhita and Pal, Sourav and Vaval, Nayana} } @article {47673, title = {Review of the recent progress on thermal conductivity of nanofluid}, journal = {Journal of Molecular Liquids}, volume = {338}, year = {2021}, month = {SEP }, pages = {116929}, type = {Review}, abstract = {Thermal properties of nanofluids are very well investigated by the global research community for their various applications. The dispersion and stability of the nanoparticles in the base fluid are the essential requirements for the efficient utilization of nanofluids in many applications. The interfacial layer plays a crucial role in the dispersion, stability, and heat transfer properties of the nanofluid. The heat transfer property of the nanofluids is mainly influenced by the heat transfer properties at the particle-fluid interface. The thickness and thermal conductivity of the interfacial layer are the crucial factors that decide the heat transfer at the interface, and the difficulties in the determination of these factors limits the progress of the research. In this review article, the experimental studies on the thickness and thermal conductivity of the interfacial layer are reviewed briefly. The effect of interfacial the layer on the nanoscale mechanisms and thermophysical properties of nanofluids are reviewed. The effect of various tunable parameters on the heat transfer properties of the interfacial layer is also reviewed. This review will be beneficial for fine-tuning nanofluid{\textquoteright}s thermal properties and their commercial applications. (C) 2021 Elsevier B.V. All rights reserved.}, keywords = {Interfacial layer, Interfacial thermal conductance, Nanofluid, Surfactants, Thermal conductivity}, issn = {0167-7322}, doi = {10.1016/j.molliq.2021.116929}, author = {Lenin, Ramanujam and Joy, Pattayil Alias and Bera, Chandan} } @article {47703, title = {Room-temperature quasi-catalytic hydrogen generation from waste and water}, journal = {Green Chemistry}, volume = {23}, year = {2021}, month = {OCT}, pages = {7528-7533}, type = {Article}, abstract = {A solvation-driven catalyst-free H-2 generation system from water and various waste hydrosilanes at room temperature was developed, with good to quantitative H-2 yields in minutes. Using a green solvent is found to promote the strong coordination of proton carriers with hydrosilane to liberate H-2 based on molecular dynamics simulations. Theoretical calculations clarify that OH(-)in situ generated from H2O enabled by solvation is favorable for activating the Si-H species of hydrosilane, and the in situ formed Si-OH interacts more effectively with the adjacent remaining Si-H, both contributing to the overall enhanced H-2 generation. Moreover, the overall life-cycle impacts of the developed system are less than those of industrial H-2 production processes, especially in ozone layer depletion and abiotic depletion resources - fossil fuels. This protocol realizes the potential of efficiently producing H-2 from waste and water, and opens a new avenue to alleviate petroleum consumption.}, issn = {1463-9262}, doi = {10.1039/d1gc02722k}, author = {Wu, Hongguo and Zhang, Li-Long and Wang, Junqi and Jiang, Yiyuan and Li, Hu and Sudarsanam, Putla and Yang, Song} } @article {47309, title = {Selective deoxygenation of fatty acids to fuel-range hydrocarbons over Pt-MOx/ZrO2 (M = Mo and W) catalysts}, journal = {Catalysis Today}, volume = {375}, year = {2021}, month = {SEP}, pages = {174-180}, type = {Article}, abstract = {

A comparative catalytic activity study of Pt-MoOx/ZrO2\ and Pt-WOx/ZrO2\ for deoxygenation of oleic acid (OA) forming fuel-range, linear hydrocarbons is reported. These catalysts (with 4 wt\% Pt and 8 wt\% Mo or W) were prepared by a sequential wet-impregnation method and characterized for the structural and electronic properties. Pt-MoOx/ZrO2\ showed higher catalytic activity than Pt-WOx/ZrO2. Hydrodeoxygenation was the selective pathway over these bifunctional catalysts yielding n-octadecane. High conversion of OA was achieved at 200 {\textdegree}C itself. On the contrary, monometallic Pt/ZrO2\ was weakly active. It was selective mainly toward decarboxylation/decarbonylation producing n-heptadecane. Higher amounts of Pt and metal oxide in reduced forms are responsible for the high hydrodeoxygenation activity and selectivity of these reusable, bimetallic catalysts.

}, doi = {10.1016/j.cattod.2020.04.020}, author = {Janampelli, Sagar and Darbha, Srinivas} } @article {47075, title = {SWATH-MS based quantitative proteomics analysis to evaluate the antileishmanial effect of Commiphora wightii- Guggul and amphotericin B on a clinical isolate of Leishmania donovani (vol 223, 103800, 2020)}, journal = {Journal of Proteomics}, volume = {232}, year = {2021}, month = {FEB }, type = {Correction}, abstract = {

Drug resistance and relapse after treatment of visceral leishmaniasis (VL) with the chemotherapeutic drugs has impeded the VL elimination programme especially, in the endemic region of Bihar, India. Currently, Antimonials (Sbv) have been rendered obsolete (Bihar) as frequent treatment failure and relapse in Sbv treated patient{\textquoteright}s warrants greater vigilance and attention to the limited drugs. A clinical isolate of L.donovani obtained from an Amphotericin B (AmB) relapse patient was evaluated for its susceptibility to AmB and a hyperlipidemic drug Guggul. The evaluation of susceptibility or resistance to any drug still relies on in vitro assay on promastigote and amastigote stages of Leishmania spp. as there are no validated markers which can ascertain drug resistance in Leishmania. The anti-promastigote effect of AmB and Guggul were demonstrated by significant cellular and morphological changes exhibiting apoptosis-mediated cell death. To further illustrate the molecular mechanism of the parasite{\textquoteright}s response upon exposure to either AmB and Guggul, sequential window acquisition of all theoretical fragment ion spectra mass spectrometry (SWATH-MS) for quantitative proteomics analysis was performed along with computational data analysis; revealing considerable differences in the proteome profiles which could be regarded as putative markers for resistance or drug targets for development of therapeutic antileishmanials.

}, issn = {1874-3919}, doi = {10.1016/j.jprot.2020.104017}, author = {Routaray, Chinmayee Bar and Bhor, Renuka and Bai, Shakuntala and Kadam, Nitin Suryakant and Jagtap, Surabhi and Doshi, Pooja Jignesh and Sundar, Shyam and Sawant, Sangeeta and Kulkarni, Mahesh J. and Pai, Kalpana} } @article {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 {47400, title = {Synthetic heparan sulfate ligands for vascular endothelial growth factor to modulate angiogenesis}, journal = {Chemical Communications}, volume = {57}, year = {2021}, month = {APR }, pages = {3516-3519}, type = {Article}, abstract = {

We report the discovery of a potential heparan sulfate (HS) ligand to target several growth factors using 13 unique HS tetrasaccharide ligands. By employing an HS microarray and SPR, we deciphered the crucial structure-binding relationship of these glycans with the growth factors BMP2, VEGF(165), HB-EGF, and FGF2. Notably, GlcNHAc(6-O-SO3-)-IdoA(2-O-SO3-) (HT-2,6S-NAc) tetrasaccharide showed strong binding with the VEGF(165) growth factor. In vitro vascular endothelial cell proliferation, migration and angiogenesis was inhibited in the presence of VEGF(165) and HT-2,6S-NAc or HT-6S-NAc, revealing the potential therapeutic role of these synthetic HS ligands.

}, issn = {1359-7345}, doi = {10.1039/d1cc00964h}, author = {Jain, Prashant and Shanthamurthy, Chethan D. and Leviatan Ben-Arye, Shani and Yehuda, Sharon and Nandikol, Sharvani S. and Thulasiram, V, Hirekodathakallu and Padler-Karavani, Vered and Kikkeri, Raghavendra} } @article {47592, title = {Tuning the selectivity of CO2 hydrogenation using ceramic hollow fiber catalytic modules}, journal = {Reaction Chemistry \& Engineering}, volume = {6}, year = {2021}, month = {SEP }, pages = {1655-1665}, type = {Article}, abstract = {The unique structural features and advantageous pore distributions of alumina hollow fibers can be exploited to tune the selectivity in heterogeneous catalysis. Formation of a finger-like cavity structure is the unique characteristic of the phase inversion method, which provides a larger surface area to volume ratio desirable for catalytic reactions. This feature, along with a highly porous sandwiched skin layer, makes this architecture superior to conventional powder catalysts or other structured catalyst forms like monoliths. Alumina hollow fibers are prepared by the modified phase inversion method and characterized for their pore size and distribution. Ni metal nanoparticles are uniformly deposited in the Al2O3 hollow fibers to prepare a Ni/Al2O3 catalyst and tested for the CO2 methanation reaction. Suitable reactor and catalyst loading methods are designed and optimized to achieve higher CO2 to methane conversion in a temperature range of 225 to 400 degrees C. The alpha-alumina phase, which is usually reported to be a poor support for Ni in CO2 methanation in the conventional fixed bed configuration, showed high activity when modulated as hollow fibers. Also, the selectivity to CH4 is enhanced and minimal CO formation is observed. The kinetic rate expressions are simulated for the prediction of methane and CO gas evolution at the outlet with temperature. The experimental results for the gas composition are in good agreement with the model predictions. The advantage of such a module reactor is explained based on the mass transfer limitations and consequently the reaction time constants arrived at from the predicted gas compositions.}, issn = {2058-9883}, doi = {10.1039/d1re00076d}, author = {Jogdand, Shunottara M. and Bedadur, Prachiti R. and Torris, Arun and Kharul, Ulhas K. and Naidu, V. Satyam and Devi, R. Nandini} } @article {47450, title = {Unprecedented stability in Au@Co core-shell bimetallic catalyst supported on SBA-15 (Au@Co/SBA-15) for atmospheric pressure CO hydrogenation}, journal = {Materials Today Sustainability }, volume = {13}, year = {2021}, month = {SEP}, pages = {100068}, type = {Article}, abstract = {

Bimetallic nanoparticles demonstrating\ synergistic effect\ (electronic or geometric modification) often show distinct chemical and physical properties compared with the parent metals. In catalysis, this provides opportunities to engineer solid materials with appreciable activity, selectivity, and stability. In the present study, we have synthesized Au@Co core{\textendash}shell bimetallic nanoparticles by colloidal synthesis approach with a focus to study and explore the synergistic effect between Au and Co in Au@Co\ bimetallic catalyst\ supported on SBA-15 on\ Fischer Tropsch\ (FT) reaction. The deactivation of catalyst is a significant drawback in CO hydrogenation (syngas conversion/FT synthesis), and the present study provides the design of a new material, which resists the surface cobalt oxide formation\ and inactive coke formation and gives efficient CO conversion with high stability.

}, doi = {10.1016/j.mtsust.2021.100068}, author = {Jain, P. and Chimote, M. and Vinod, C. P.} } @article {47463, title = {Uraria picta: a comprehensive review on evidences of utilization and strategies of conservation}, journal = {Journal of Phytology}, volume = {13}, year = {2021}, month = {APR}, pages = {41-48}, type = {Article}, abstract = {

Uraria\ picta\ (Jacq.) DC. (Prishnaparni) is one of the most important medicinal plants used in different traditional systems of medicines including the Ayurveda and Traditional Chinese medicine. The major use of this plant was found in the most popular Ayurvedic formulation {\textquotedblleft}Dashmula{\textquotedblright} and in several many other important Ayurvedic formulations. IUCN placed this woody herb in the least concern category as per version 3.1. It has extensive therapeutic uses and pharmacological activities. Though this plant is a source of many phytochemicals, the uses are uncertain because the raw plant parts or crude extracts are being used in all formulations. Therefore, extensive investigations are necessary to focus on the identification of these phytochemicals. It is an urgent need to give special attention to collecting various aspects and more efforts are required in all areas for utilization and conservation of this valuable medicinal herb. Herein, a compilation of all information with various aspects has been presented, including the authors published work on\ Uraria picta. This review pursues attention towards biological activity, phytochemical profile, utilization, propagation and conservation of\ Uraria picta.

}, doi = {10.25081/jp.2021.v13.7028}, author = {Bhusare, B. P. and Ahire, M. L. and John, C. K. and Nikam, T. D.} } @article {47726, title = {Water mediated allosteric network in beta 2AR T164I variant modulates agonist binding affinity}, journal = {European Biophysics Journal with Biophysics Letters}, volume = {50}, year = {2021}, month = {JUL}, pages = {162}, type = {Meeting Abstract}, issn = {0175-7571}, author = {Nikte, Siddhanta V. and Sonar, Krushna and Tandale, Aditi and Sengupta, Durba and Joshi, Manali} } @article {48228, title = {2-oxoglutarate-dependent dioxygenases drive expansion of steroidal alkaloid structural diversity in the genus Solanum}, journal = {New Phytologist}, volume = {234}, year = {2022}, month = {MAY}, pages = {1394-1410}, type = {Article}, abstract = {

Solanum steroidal glycoalkaloids (SGAs) are renowned defence metabolites exhibiting spectacular structural diversity. Genes and enzymes generating the SGA precursor pathway, SGA scaffold and glycosylated forms have been largely identified. Yet, the majority of downstream metabolic steps creating the vast repertoire of SGAs remain untapped. Here, we discovered that members of the 2-OXOGLUTARATE-DEPENDENT DIOXYGENASE (2-ODD) family play a prominent role in SGA metabolism, carrying out three distinct backbone-modifying oxidative steps in addition to the three formerly reported pathway reactions. The GLYCOALKALOID METABOLISM34 (GAME34) enzyme catalyses the conversion of core SGAs to habrochaitosides in wild tomato S. habrochaites. Cultivated tomato plants overexpressing GAME34 ectopically accumulate habrochaitosides. These habrochaitoside enriched plants extracts potently inhibit Puccinia spp. spore germination, a significant Solanaceae crops fungal pathogen. Another 2-ODD enzyme, GAME33, acts as a desaturase (via hydroxylation and E/F ring rearrangement) forming unique, yet unreported SGAs. Conversion of bitter alpha-tomatine to ripe fruit, nonbitter SGAs (e.g. esculeoside A) requires two hydroxylations; while the known GAME31 2-ODD enzyme catalyses hydroxytomatine formation, we find that GAME40 catalyses the penultimate step in the pathway and generates acetoxy-hydroxytomatine towards esculeosides accumulation. Our results highlight the significant contribution of 2-ODD enzymes to the remarkable structural diversity found in plant steroidal specialized metabolism.

}, keywords = {Solanum, specialized metabolism, steroidal glycoalkaloids (SGAs), structural diversity, Tomato}, issn = {0028-646X}, doi = {10.1111/nph.18064}, author = {Sonawane, Prashant D. and Jozawiak, Adam and Barbole, Ranjit and Panda, Sayantan and Abebie, Bekele and Kazachkova, Yana and Gharat, Sachin A. and Ramot, Ofir and Unger, Tamar and Wizler, Guy and Meir, Sagit and Rogachev, Ilana and Doron-Faigenboim, Adi and Petreikov, Marina and Schaffer, Arthur and Giri, Ashok P. and Scherf, Tali and Aharoni, Asaph} } @article {48353, title = {Addressing challenges in sealing of scalable multifiber module for O-2 enrichment using LSCF membranes}, journal = {International Journal of Applied Ceramic Technology}, volume = {19}, year = {2022}, month = {MAY}, pages = {1561-1571}, type = {Article}, abstract = {

Scalable and multifiber modules in oxygen separation face huge challenges due to difficulty in integrating all the necessary components, especially in sealing the fibers in a gas tight module. Here, we report our findings on design and fabrication of a multifiber La0.6Sr0.4Co0.2Fe0.8O3-delta (LSCF)-based module, which can be scaled up. The focus is on sealing ceramic-metal interfaces by layering of sealants of varying thermal properties. We have also incorporated the use of dead ended fibers to minimize ceramic-metal interfaces in the hot zones and present a new method for dead ending by flame melting. Pressurizing the air inlet feed from either bore side or shell side is detrimental to the structural integrity of the fibers. A thorough characterization of the fresh and spent fibers is also carried out using X-ray tomography and electron microscopy, which indicates effect of temperature and pressure on the fibers.

}, keywords = {Characterization, permeability, Perovskites}, issn = {1546-542X}, doi = {10.1111/ijac.13967}, author = {Jogdand, Shunottara M. and Bedadur, Prachiti R. and Torris, Arun and Agrawal, Ravi and Kharul, Ulhas K. and Devi, R. Nandini} } @article {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 {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 {48420, title = {Cobalt-immobilized carbon-based nano-catalyst for Csingle bondN cross coupling reaction}, journal = {Results in Chemistry}, volume = {4}, year = {2022}, month = {JAN}, pages = {100682}, type = {Article}, abstract = {

Csingle bondN\ cross coupling reaction\ is very important in synthesis of pharmaceuticals,\ natural products,\ agrochemicals, fine chemicals and functional materials. Traditionally,\ palladium\ or copper metals are used for Csingle bondN coupling reaction. As palladium is expensive, we developed cobalt immobilized carbon-based nano-catalyst Co@CC for Csingle bondN coupling. In this work, we synthesized non-noble metal-based Co@CC nano-catalyst by\ carbonization\ of glucose, it{\textquoteright}s functionalization followed by immobilization of cobalt on the surface of the catalyst. The catalyst was well characterized. The Csingle bondN cross coupling reaction of various aryl\ halides\ \& amines using Co@CC nano-catalyst was optimized for solvent, reaction temperature \& catalyst\ concentration conditions. The catalyst showed high catalytic activity for Csingle bondN coupling of various aryl halides \& amines to form aryl amines in good to excellent yield up to 91\ \% in\ sulfolane\ as a solvent at 150\ {\textdegree}C. The catalyst showed recyclability up to 5 times. The method developed for Csingle bondN coupling reaction was noble metal free, ligand free, recyclable, sustainable, economical \& environmentally friendly.

}, doi = {10.1016/j.rechem.2022.100682}, author = {Bankar, Shubham R. and Kirdant, Swapnali P. and Jadhav, Vrushali H.} } @article {47671, title = {Combinatorial therapy using RNAi and curcumin nano-architectures regresses tumors in breast and colon cancer models}, journal = {Nanoscale}, volume = {14}, year = {2022}, month = {JAN }, pages = {492-505}, type = {Article}, abstract = {Cancer is a debilitating disease and one of the leading causes of death in the world. In spite of the current clinical management being dependent on applying robust pathological variables and well-defined therapeutic strategies, there is an imminent need for novel and targeted therapies with least side effects. RNA interference (RNAi) has gained attention due to its precise potential for targeting multiple genes involved in cancer progression. Nanoparticles with their enhanced permeability and retention (EPR) effect have been found to overcome the limitations of RNAi-based therapies. With their high transportation capacity, nanocarriers can target RNAi molecules to tumor tissues and protect them from enzymatic degradation. Accumulating evidence has shown that tyrosine kinase Ephb4 is overexpressed in various cancers. Therefore, we report here the development and pre-clinical validation of curcumin-chitosan-loaded: eudragit-coated nanocomposites conjugated with Ephb4 shRNA as a feasible bio-drug to suppress breast and colon cancers. The proposed bio-drug is non-toxic and bio-compatible with a higher uptake efficiency and through our experimental results we have demonstrated the effective site-specific delivery of this biodrug and the successfull silencing of their respective target genes in vivo in autochthonous knockout models of breast and colon cancer. While mammary tumors showed a considerable decrease in size, oral administration of the biodrug conjugate to Apc knockout colon models prolonged the animal survival period by six months. Hence, this study has provided empirical proof that the combinatorial approach involving RNA interference and nanotechnology is a promising alliance for next-generation cancer therapeutics.}, issn = {2040-3364}, doi = {10.1039/d1nr04411g}, author = {Kumar, Aviral and Singam, Amarnath and Swaminathan, Guruprasadh and Killi, Naresh and Tangudu, Naveen Kumar and Jose, Jedy and Gundloori, Rathna V. N. and Kumar, Lekha Dinesh} } @article {48421, title = {Comparison of hydrodynamic characteristics of Tulsion and Siran immobilised beads in a fluidised bed bioreactor}, journal = {Biocatalysis and Agricultural Biotechnology}, volume = {43}, year = {2022}, month = {AUG}, pages = {102428}, type = {Article}, abstract = {

The fluidised bed reactors are successfully utilised in various bioprocesses to produce\ high value products\ using\ immobilised cells\ and enzymes. The present work aims at evaluating hydrodynamic characteristics of a three phase fluidised bed\ bioreactor\ using Tulsion{\textregistered} A-1X MP, Tulsion{\textregistered} ADS-400 and Tulsion{\textregistered} ADS-800,\ polystyrene\ and polyacrylic based three types of free and\ immobilised cells\ solid carriers viz. and comparing their performance with Siran{\textregistered} SIKUG41 glass beads. The hydrodynamic parameters such as particle density (cells and beads), drag coefficient, minimum and maximum\ fluidisation\ velocity, particle settling velocity were estimated and compared in water and biological media (E2 and MSM) having varying rheological properties. The relationships between drag coefficient (CD){\textendash}Reynolds numbers (NRe), superficial liquid velocity (Uf){\textendash}void fraction(ε), expansion index(n){\textendash}NRe\ were obtained.

}, doi = {10.1016/j.bcab.2022.102428}, author = {Kashid, Shweta and Joshi, Kalpana and Nene, Sanjay} } @article {48213, title = {Concerted effect of Ni-in and S-out on ReS2 nanostructures towards high-efficiency oxygen evolution reaction}, journal = {Chemical Communications}, volume = {58}, year = {2022}, month = {MAR}, pages = {3689-3692}, type = {Article}, abstract = {

Herein, a one-step hydrothermal reaction is developed to synthesize a Ni-doped ReS2 nanostructure with sulphur defects. The material exhibited excellent OER activity with a current density of 10 mA cm(-2) at an overpotential of 270 mV, a low Tafel slope of 31 mV dec(-1), and good long-term durability of 10 h in 1 M KOH. It shows high faradaic efficiency of 96\%, benefiting from the rapid charge transfer caused by the concerted effect of Ni-in and S-out on the ReS2 nanostructure.

}, issn = {1359-7345}, doi = {10.1039/d1cc07030d}, author = {Das, Tapas K. and Ping, Tapan and Mohapatra, Manoj and Anwar, Shahid and Gopinath, Chinnakonda S. and Jena, Bikash Kumar} } @article {47994, title = {Controlled exchange bias behavior of manganese nanoparticles}, journal = {Journal of Magnetism and Magnetic Materials}, volume = {559}, year = {2022}, month = {OCT}, pages = {169504}, type = {Article}, abstract = {

Mn(0) colloids were synthesized by solvated metal atom dispersion approach utilizing hexadecylamine, toluene, and THF as coordinating ligands. Mn-toluene and Mn-THF nanoparticles were found to be highly pyrophoric in nature and demand careful handling whereas, Mn-HDA nanoparticles undergo slow oxidation. TEM micrographs revealed formation of nanoparticles between 3 and 6 nm. Magnetic studies of these three samples displayed shift in the field-cooled M-H hysteresis loop which has been attributed to exchange bias behavior. The exchange bias field, HE measured at 5 K varies with change in coordinating ligands around the Mn center which are 1217 Oe, 4408 Oe and, 6350 Oe for Mn-HDA, Mn-toluene and Mn-THF nanoparticles, respectively. The large exchange bias field has been attributed to the presence of uncompensated antiferromagnetic surface spins and the exchange interactions at the nanoparticle surface due to surface oxidation.

}, keywords = {Antiferromagnetism, exchange bias, Ferromagnetism, Manganese nanoparticles, Uncompensated spins}, issn = {0304-8853}, doi = {10.1016/j.jmmm.2022.169504}, author = {Tiwari, Garima and Vinod, C. Prabhakaran and Jagirdar, Balaji R.} } @article {48372, title = {Conventional and microwave-assisted organic synthesis of novel antimycobacterial agents bearing furan and pyridine hybrids}, journal = {Drug Development Research}, volume = {83}, year = {2022}, month = {APR}, pages = {416-431}, type = {Article}, abstract = {

Drug resistance in tuberculosis poses a serious threat to humanity because currently available antitubercular drugs are ineffective against Mycobacterium tuberculosis (M. tuberculosis). As a result, the approval of Bedaquiline and Delamanid for the treatment of drug-resistant tuberculosis was accelerated. Still, there is an urgent need to search for new antitubercular drugs with novel mechanisms of action (MoA). Due to this, we have designed a synthetic strategy by utilizing microwave-assisted organic synthesis. We have compared our method with the conventional procedure, and the data show that our procedure is more effective in the preparation of title compounds. A unique series of 1-(2-(furan-2-yl)-5-(pyridin-4-yl)-1,3,4-oxadiazol-3(2H)-yl)-3-(aryl)-pr op-2-en-1-ones (5a-o) was synthesized utilizing conventional and microwave-assisted techniques. Synthetic compounds were investigated for antitubercular activity against Mycobacterium TB H37Ra and Mycobacterium bovis (M. bovis). Compound 5b was reported to be the most effective against M. tuberculosis H37Ra (97.69 percent inhibition at 30 mu g/ml) and M. bovis (97.09 percent inhibition at 30 mu g/ml). An in silico binding affinity study of mycobacterial enoyl-acyl carrier protein reductase (InhA) reveals the binding mechanism and thermodynamic interactions that determine these molecule{\textquoteright}s binding affinity. Compound 5b had a high glide score of -8.991 and low glide energy of -49.893 kcal/mol.

}, keywords = {Antitubercular activity, microwave-assisted organic synthesis, Molecular docking}, issn = {0272-4391}, doi = {10.1002/ddr.21872}, author = {Desai, Nisheeth C. and Bhatt, Kandarp and Jadeja, Dharmpalsinh J. and Mehta, Harsh K. and Khedkar, Vijay M. and Sarkar, Dhiman} } @article {46642, title = {Cyclic peptide engineered from phytocystatin inhibitory hairpin loop as an effective modulator of falcipains and potent antimalarial}, journal = {Journal of Biomolecular Structure \& Dynamics}, volume = {40}, year = {2022}, month = {MAY}, pages = {3642-3654}, type = {Article}, abstract = {

Cystatins are classical competitive inhibitors of C1 family cysteine proteases (papain family). Phytocystatin superfamily shares high sequence homology and typical tertiary structure with conserved glutamine-valine-glycine (Q-X-V-X-G) loop blocking the active site of C1 proteases. Here, we develop a cysteine-bounded cyclic peptide (CYS-cIHL) and linear peptide (CYS-IHL), using the conserved inhibitory hairpin loop amino acid sequence. Using an in silico approach based on modeling, protein-peptide docking, molecular dynamics simulations and calculation of free energy of binding, we designed and validated inhibitory peptides against falcipain-2 (FP-2) and -3 (FP-3), cysteine proteases from the malarial parasite Plasmodium falciparum. Falcipains are critical hemoglobinases of P. falciparum that are validated targets for the development of antimalarial therapies. CYS-cIHL was able to bind with micromolar affinity to FP-2 and modulate its binding with its substrate, hemoglobin in in vitro and in vivo assays. CYS-cIHL could effectively block parasite growth and displayed antimalarial activity in culture assays with no cytotoxicity towards human cells. These results indicated that cyclization can substantially increase the peptide affinity to the target. Furthermore, this can be applied as an effective strategy for engineering peptide inhibitory potency against proteases.

}, keywords = {Cyclic peptide, falcipain inhibitors, falciparum, P, Phytocystatin, protein interaction mimics, protein\&\#8211}, issn = {0739-1102}, doi = {10.1080/07391102.2020.1848629}, author = {Mishra, Manasi and Singh, Vigyasa and Tellis, Meenakshi B. and Joshi, Rakesh S. and Pandey, Kailash C. and Singh, Shailja} } @article {48224, title = {Design, synthesis of anticancer and anti-inflammatory 4-(1-methyl-1H-indol-3-yl)-6-(methylthio) pyrimidine-5-carbonitriles}, journal = {Synthetic Communications}, volume = {52}, year = {2022}, month = {MAR }, pages = {733-744}, type = {Article}, abstract = {

A novel series of 4-(1-methyl-1H-indol-3-yl)-6-(methylthio) pyrimidine-5-carbonitriles (4a-i) was synthesized and evaluated for anticancer potential against cell lines for breast cancer. Compounds 4b, 4e, and 4h exhibited prominent cytotoxicity against human breast carcinoma MCF-7 cell line with GI(50 )of 2.0, 0.5, and 0.5 mu M, respectively. Molecular docking study against EGFR tyrosine kinase could provide valuable insights into the plausible mechanism of action. The compounds could bind with significantly high binding affinity and their binding affinity scores could correlate well with the observed anticancer activity. Furthermore, compounds 4a, 4c, 4e, 4g, and 4i exhibited significant inflammatory activities as well which could expand the therapeutic domain of this novel series.

}, keywords = {Anti-inflammatory, Anticancer, Antioxidant, Indole, pyrimidine}, issn = {0039-7911}, doi = {10.1080/00397911.2022.2048860}, author = {Bhale, Pravin S. and Chavan, V. Hemant and Shringare, Sadanand N. and Khedkar, Vijay M. and Tigote, Radhakrishna M. and Mali, Nikita N. and Jadhav, Tukaram D. and Kamble, Nitin B. and Kolat, Swati P. and Bandgar, Babasaheb P. and Patil, Harshal S.} } @article {48349, title = {Detection of a target protein (GroEl2) in Mycobacterium tuberculosis using a derivative of 1,2,4-triazolethiols}, journal = {Molecular Diversity}, volume = {26}, year = {2022}, month = {OCT}, pages = {2535-2548}, type = {Article}, abstract = {

Herein, we identified a potent lead compound RRA2, within a series of 54 derivatives of 1,2,4-triazolethiols (exhibit good potency as an anti-mycobacterial agents) against intracellular Mycobacterium tuberculosis (Mtb). Compound RRA2 showed significant mycobactericidal activity against active stage Mycobacterium bovis BCG and Mtb with minimum inhibitory concentration (MIC) values of 2.3 and 2.0 mu g/mL, respectively. At MIC value, RRA2 compound yielded 0.82 log reduction of colony-forming unit (cfu) against non-replicating Mtb. Furthermore, RRA2 compound was selected for further target identification due to the presence of alkyne group, showing higher selectivity index (\> 66.66 +/- 0.22, in non-replicating stage). Using {\textquoteleft}{\textquoteleft}click{\textquoteright}{\textquoteright} chemistry, we synthesized the biotin linker-RRA2 conjugate, purified with HPLC method and confirmed the conjugation of biotin linker-RRA2 complex by HR-MS analysis. Furthermore, we successfully pulled down and identified a specific target protein GroEl2, from Mtb whole-cell extract. Furthermore, computational molecular modeling indicated RRA2 could interact with GroEl2, which explains the structure-activity relationship observed in this study.

}, keywords = {1, 2, 4-triazolethiols, GroEl2, Mycobactericidal activity, Mycobacterium bovis BCG, Mycobacterium tuberculosis}, issn = {1381-1991}, doi = {10.1007/s11030-021-10351-y}, author = {Sarkar, Sampa and Swami, Sagar and Soni, Sarvesh Kumar and Holien, Jessica K. and Khan, Arshad and Korwar, Arvind M. and Likhite, Anjali P. and Joshi, Ramesh A. and Joshi, Rohini R. and Sarkar, Dhiman} } @article {48027, title = {Divergent annulation of spiro[indoline-pyran] and fused (Epoxyetheno)indeno-furan from 1,2-diketone and 1-cyanoketone}, journal = {European Journal of Organic Chemistry}, volume = {2022}, year = {2022}, month = {AUG}, pages = {e202101534}, type = {Article}, abstract = {

A simple and efficient method for the construction of spiro[indoline-pyran] and fused (epoxyetheno)indeno[1,2-b]furan compounds from 1-cyanoketones and 1,2-diketone has been developed. The synthesis proceeded via the Knoevenagel and Michael adduct through intramolecular/Paal-Knorr cyclization under similar reaction condition. The less commonly used 1-cyanoketones and active carbonyl compounds served as the indole containing pyran and bicyclic furan source for the preparation of a new series of heterocyclic compounds. This heterocyclic structure allows one and more than one tetra-substituted carbon center and sequential hexa- and penta-cyclic core under very mild conditions and shows excellent chemo and regioselectivity. In addition, the synthesis of spiro[indoline-pyran] and (epoxyetheno)indeno[1,2-b]furan was demonstrated in a gram scale.

}, keywords = {Diverse synthesis, Intramolecular, Knoevenagel and Michael adduct, molecular diversity, Oxygen heterocycles, Paal-Knorr cyclization}, issn = {1434-193X}, doi = {10.1002/ejoc.202101534}, author = {Yadav, Maruti B. and Vagh, Sandip S. and Jeong, Yeon Tae} } @article {48016, title = {Dry molten globule-like intermediates in protein folding, function, and disease}, journal = {Journal of Physical Chemistry B}, volume = {126}, year = {2022}, month = {NOV}, pages = {8614-8622}, type = {Review}, abstract = {

The performance of a protein depends on its correct folding to the final functional native form. Hence, understanding the process of protein folding has remained an important field of research for the scientific community for the past five decades. Two important intermediate states, namely, wet molten globule (WMG) and dry molten globule (DMG), have emerged as critical milestones during protein folding-unfolding reactions. While much has been discussed about WMGs as a common unfolding intermediate, the evidence for DMGs has remained elusive owing to their near-native features, which makes them difficult to probe using global structural probes. This Review puts together the available literature and new evidence on DMGs to give a broader perspective on the universality of DMGs and discuss their significance in protein folding, function, and disease.

}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.2c04991}, author = {Acharya, Nirbhik and Jha, Santosh Kumar} } @article {48083, title = {Efficient route to 3,3 {\textquoteleft}-biindolinylidene-diones by iron-catalyzed dimerization of isatins}, journal = {Chemistry-an Asian Journal}, volume = {17}, year = {2022}, month = {AUG}, pages = {e202200414}, type = {Article}, abstract = {

Iron-catalyzed dimerization of various isatin derivatives is described for the efficient synthesis of 3,3 {\textquoteleft}-biindolinylidene-diones (isoindigos). The reaction provides easy access to self-coupled and cross-coupled 3,3 {\textquoteleft}-indolinylidene-diones that have high relevance to biology and materials. This Fe(0)- or Fe(II)-catalyzed dimerization reaction tolerates a wide range of functionalities, such as fluoro, chloro, bromo, alkenyl, nitrile, ether, ester, pyrrolyl, indolyl and carbazolyl groups, including cyclic and acyclic alkyls as well as an alkyl-bearing fatty-alcohol moiety. Especially, the coupling between two distinct isatins provided excellent selectivity for the cross-dimerization with trace of self-couplings. The single-crystal X-ray diffraction study established the molecular structure of eight dimerized products. A preliminary mechanistic study of the Fe-catalyzed dimerization supported the radical pathway for the reaction.

}, keywords = {Cross-coupling, dimerization, iron, Isatin, Isoindigo, Mechanism}, issn = {1861-4728}, doi = {10.1002/asia.202200414}, author = {Jagtap, Rahul A. and Pradhan, Chandini and Gonnade, Rajesh G. and Punji, Benudhar} } @article {48412, title = {Electrospun zinc-manganese bimetallic oxide carbon nanofibers as freestanding supercapacitor electrodes}, journal = {International Journal of Energy Research}, volume = {46}, year = {2022}, month = {DEC}, pages = {22100-22112}, type = {Article}, abstract = {

Flexible, lightweight, and freestanding zinc-manganese oxide carbon nanofibers are promising materials for the fabrication of portable electronic devices. Composite nanofibers were synthesized using terephthalic acid and sodium dodecyl sulfate. Terephthalic acid improves the flexibility of the composite fibers and facilitates the diffusion of electrolytic ions. Meanwhile, sodium dodecyl sulfate aids to elevate the metal (zinc) oxide particles to the surface of the nanofibers during annealing. The texturing of the carbon nanofiber surface with ZnO enhances the electrochemical activity of the composite fibers. Parametric studies were conducted by varying the weight ratio of zinc and manganese acetates from zero to unity. The optimal case with a ratio of 0.75 produces specific capacitances of 1080 and 817 F center dot g(-1) at current densities of 1 and 10 A center dot g(-1), respectively, with a wide potential window of 1.6 V, indicating outstanding energy storage capabilities. The capacitance retention was 92\% after 10 000 galvanostatic charge-discharge cycles. The bending angle test confirmed the mechanical durability of the freestanding carbon nanofiber electrodes, and the corresponding change in the cyclic voltammetry curve was negligible.

}, keywords = {electrospinning, freestanding electrode, high-energy-density, supercapacitor, ZnMn2O4}, issn = {0363-907X}, doi = {10.1002/er.7719}, author = {Joshi, Bhavana and Samuel, Edmund and Kim, Yongil and Kim, Taegun and El-Newehy, Mohamed and Aldalbahi, Ali and Yoon, Sam S.} } @article {48137, title = {Enantioselective Cu(I)-catalyzed borylative cyclization of enone-tethered cyclohexadienones and mechanistic insights}, journal = {Nature Communications}, volume = {13}, year = {2022}, month = {FEB }, pages = {854}, type = {Article}, abstract = {

Rapidly building molecular structures with both elements of complexity and flexibility is a key goal of organic synthesis. Here the authors show a tandem copper-catalyzed beta-borylation/Michael addition on prochiral enone-tethered 2,5-cyclohexadienones, to generate bicyclic borylated products in high yield and enantioselectivity. The catalytic asymmetric borylation of conjugated carbonyls followed by stereoselective intramolecular cascade cyclizations with in situ generated chiral enolates are extremely rare. Herein, we report the enantioselective Cu(I)-catalyzed beta-borylation/Michael addition on prochiral enone-tethered 2,5-cyclohexadienones. This asymmetric desymmetrization strategy has a broad range of substrate scope to generate densely functionalized bicyclic enones bearing four contiguous stereocenters with excellent yield, enantioselectivity, and diastereoselectivity. One-pot borylation/cyclization/oxidation via the sequential addition of sodium perborate reagent affords the corresponding alcohols without affecting yield and enantioselectivity. The synthetic potential of this reaction is explored through gram-scale reactions and further chemoselective transformations on products. DFT calculations explain the requirement of the base in an equimolar ratio in the reaction, as it leads to the formation of a lithium-enolate complex to undergo C-C bond formation via a chair-like transition state, with a barrier that is 22.5 kcal/mol more favourable than that of the copper-enolate complex.

}, issn = {0039-7881}, doi = {10.1038/s41467-022-28288-7}, author = {Jadhav, Sandip B. and Dash, Soumya Ranjan and Maurya, Sundaram and Nanubolu, Jagadeesh Babu and Vanka, Kumar and Chegondi, Rambabu} } @article {48064, title = {Formation of zircon-type DyCrO4 and its magnetic properties}, journal = {Ceramics International}, volume = {48}, year = {2022}, month = {SEP}, pages = {24666-24676}, type = {Article}, abstract = {

The formation mechanism of hydrolytic sol-gel synthesized DyCrO4 with a complexing agent in acidic and basic mediums is thoroughly studied. The role of complexing agents and pH on phase formation temperature is also intensively investigated. The formation temperature for DyCrO4 is similar to 500 degrees C in the absence and presence of complexing agents such as oxalic acid and ethylenediaminetetraacetic acid (EDTA) at pH 10. When critic acid is used, the DyCrO4 forms with Cr2O3 impurity. The crystallite size in the presence of a complexing agent in the basic medium is similar to 55 nm which is small as compared to only ammonia solution. The various reaction modes lead to tetragonal zircon-type DyCrO4 at similar to 500 degrees C, transforming into orthorhombic perovskite DyCrO3 at 800 degrees C. The magnetization curve shows the ferromagnetic behavior of DyCrO4 below transition temperature T-c similar to 21 K. This low T-c makes nanocrystalline DyCrO4 a potential material for cryogenic applications.

}, keywords = {Complexing agent, DyCrO4, Formation mechanism, Hydrolytic sol-gel method, pH}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2022.05.113}, author = {Ughade, Supriya and Joshi, Bhavana and Poddar, Pankaj} } @article {48036, title = {From molecular adsorption to decomposition of methanol on various ZnO facets: a periodic DFT study}, journal = {Applied Surface Science}, volume = {602}, year = {2022}, month = {NOV}, pages = {154150}, type = {Article}, abstract = {

Methanol is an interesting and important molecule to study because of its potential to replace existing fuels. It is also a prominent hydrogen source which can be used to generate hydrogen in-situ. ZnO is widely used as catalyst in synthesis of methanol from CO2 at industrial scale. In this work, we demonstrate that the same catalyst could be used for MeOH decomposition. We have investigated interaction of methanol with various flat and stepped facets of ZnO by employing Density Functional Theory (DFT). Two flat [(10(1)overbar 0) and (11(2)overbar 0)] and two stepped [(10(1)overbar 3) and (11(2)overbar 2)] facets are studied in detail for methanol adsorption. Chemisorption of MeOH with varying strength is common to all four facets. Most importantly spontaneous dissociation of O-H bond of methanol is observed on all facets except (11(2)overbar 0). Our DFT calculations reveal that molecular adsorption is favored on flat facets, while dissociation is favored on step facets. Also, (10(1)overbar 0) facet undergoes substantial reconstruction upon MeOH adsorption. Activation of C-H bond along with strengthening of C-O bond on ZnO facets suggest partial oxidation of methanol. With our DFT investigations, we dig deeper into the underlying electronic structure of various facets of ZnO and provide rationale for the observed facet dependent interaction of ZnO with MeOH.

}, keywords = {DFT, MeOH, Surface interactions, ZnO}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2022.154150}, author = {Mehta, Shweta and Joshi, Kavita} } @article {48164, title = {Functional diversity of the lepidopteran ATP-binding cassette transporters}, journal = {Journal of Molecular Evolution}, volume = {90}, year = {2022}, month = {AUG}, pages = {258-270}, type = {Review}, abstract = {

The ATP-binding cassette (ABC) transporter gene family is ubiquitous in the living world. ABC proteins bind and hydrolyze ATP to transport a myriad of molecules across various lipid-containing membrane systems. They have been studied well in plants for transport of a variety of compounds and particularly, in vertebrates due to their direct involvement in resistance mechanisms against several toxic molecules/metabolites. ABC transporters in insects are found within large multigene families involved in the efflux of chemical insecticides and toxic/undesired metabolites originating from food and endogenous metabolism. This review deals with ABC transporter subfamilies of few agronomically important Lepidopteran pests. The transcriptional dynamics and regulation of ABC transporters during insect development emphasizes their functional diversity against insecticides, Cry toxins, and plant specialized metabolites. To generate insights about molecular function and physiological roles of ABCs, functional and structural characterization is necessary. Also, expansion and divergence of ABC transporter gene subfamilies in Lepidopteran insects needs more systematic investigation. We anticipate that newer methods of insect control in agriculture can benefit from an understanding of ABC transporter interactions with a vast range of natural specialized molecules and synthetic compounds.

}, keywords = {ABC transporters, Bt, insecticide resistance, Lepidoptera, Plant metabolites}, issn = {0022-2844}, doi = {10.1007/s00239-022-10056-2}, author = {Barve, Pranoti R. and Tellis, Meenakshi B. and Barvkar, Vitthal T. and Joshi, Rakesh S. and Giri, Ashok P. and Kotkar, Hemlata M.} } @article {48395, title = {Green synthesis-mediated iron oxide nanoparticles using sphagneticola trilobata (L.) for antibacterial and anticancer assessment}, journal = {Pharmacognosy Magazine}, volume = {18}, year = {2022}, month = {OCT-DEC}, pages = {953-961}, type = {Article}, abstract = {

Background: Green chemistry is widely accepted phenomenon to synthesize iron oxide nanoparticles (Fe-NPs) used in several biomedical and technological applications. Metal oxide nanoparticles are useful in biomedical, clearing environmental pollutants, enzyme immobilization, etc., Objectives: The synthesis of Fe-NPs using Sphagneticola trilobata leaf extract using ferric chloride solution and its biological assessment. Materials and Methods: The present study involved the synthesis of Fe-NPs using S. trilobata leaf extract using ferric chloride solution by the co-precipitation method. The synthesized nanoparticles were characterized for Fourier-transform infrared spectroscopy, scanning electron microscopy, powder X-ray diffraction spectroscopy, particle size analysis, and magnetization studies. The nanoparticles were biologically evaluated for microbiological, antioxidant, and in vitro cytotoxicity activity. Results: Magnetic nanoparticles were appeared in dark brown color. The change in color might result due to the presence of polyphenols in S. trilobata leaf extract. The characterization studies confirmed morphology, shape, and size of the nanoparticles. The mean diameter of Fe-NPs and S. trilobata-Fe-NPs was found to be 42.2 +/- 2.6 and 62.54 +/- 2.01 nm, respectively. Magnetization studies of nanoparticles revealed ferromagnetic behavior with the saturation magnetization at 57 emugm(-1). S. trilobata-Fe-NPs showed significant antibacterial action against Staphylococcus aureus and Bacillus subtilis by the well-diffusion method. Antioxidant activity of S. trilobata-Fe-NPs exhibited 65.78\% inhibition in comparison with ascorbic acid. The cytotoxicity assay of S. trilobata-Fe-NPs on HCT-15 colon adenocarcinoma cells showed significant anticancer activity (56.44\%) cytotoxic inhibition. Conclusion: Green synthesis-mediated S. trilobata-Fe-NPs appeared to produce significant antimicrobial and anticancer potential.

}, keywords = {Elemental analysis, field emission scanning electron microscopy, green synthesis, iron oxide nanoparticles, Sphagneticola trilobata, X-ray diffraction}, issn = {0973-1296}, doi = {10.4103/pm.pm_356_21}, author = {Dhavale, Rakesh Pandit and Patil, Swapnil Sanjay and Jadhav, Sagar Ujwal and Dhavale, Rushikesh Pandit and Agawane, Sachin Bharat} } @article {47577, title = {Highly efficient zirconium based carbonaceous solid acid catalyst for selective synthesis of 5-HMF from fructose and glucose in isopropanol as a solvent}, journal = {Catalysis Letters}, volume = {152}, year = {2022}, month = {AUG}, pages = {1703-1710}, type = {Article}, abstract = {

A new zirconium based carbonaceous solid acid catalyst Zr@CC-PA with both Lewis and Bronsted acidic sites was prepared by simultaneous carbonization and phosphonation of glucose followed by incorporation of zirconium metal on the surface of the catalyst. The catalyst was easy to prepare and the synthesized catalyst was well characterized using different techniques such as FT-IR, P-XRD, EDAX, SEM, TEM and XPS analysis. The catalytic activity was evaluated for synthesis of a very important platform chemical 5-HMF from fructose to glucose using isopropanol as a solvent. The catalyst was found to be highly efficient giving 86\% yield of 5-HMF from fructose and 45\% yield from glucose with high selectively. The catalyst can be reused at least four times without depreciation in its catalytic activity. The catalytic method developed is efficient, green and economical.

}, keywords = {5-Hydroxymethylfurfural, fructose, glucose, Zirconium based}, issn = {1011-372X}, doi = {10.1007/s10562-021-03764-9}, author = {Jori, Popat K. and Jadhav, Vrushali H.} } @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 {48340, title = {Hyperthermia and doxorubicin release by Fol-LSMO nanoparticles induce apoptosis and autophagy in breast cancer cells}, journal = {Nanomedicine}, volume = {17}, year = {2022}, month = {OCT}, pages = {1929-1949}, type = {Article}, abstract = {

Background: Studies on the anticancer effects of lanthanum strontium manganese oxide (LSMO) nanoparticles (NPs)-mediated hyperthermia at cellular and molecular levels are scarce. Materials \& methods: LSMO NPs conjugated with folic acid (Fol-LSMO NPs) were synthesized, followed by doxorubicin-loading (DoxFol-LSMO NPs), and their effects on breast cancer cells were investigated. Results: Hyperthermia (45 degrees C) and combination treatments exhibited the highest (similar to 95\%) anticancer activity with increased oxidative stress. The involvement of intrinsic mitochondria-mediated apoptotic pathway and induction of autophagy was noted. Cellular and molecular evidence confirmed the crosstalk between apoptosis and autophagy, involving Beclin1, Bcl2 and Caspase-3 genes with free reactive oxygen species presence. Conclusion: The study confirmed hyperthermia and doxorubicin release by Fol-LSMO NPs induces apoptosis and autophagy in breast cancer cells.

}, keywords = {Apoptosis, Autophagy, Breast cancer, combination therapy, doxorubicin, Folic acid, hyperthermia, LSMO, MDA-MB231 cells, PEG}, issn = {1743-5889}, doi = {10.2217/nnm-2022-0171}, author = {Kulkarni-Dwivedi, Neha and Patel, Pratikshkumar R. and Shravage, V. Bhupendra and Umrani, Rinku D. and Paknikar, Kishore M. and Jadhav, Sachin H.} } @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 {48087, title = {Instabilities as the origin of large-area self-assembled and aligned organic semiconductor nanocrystals}, journal = {ACS Applied Electronic Materials}, volume = {4}, year = {2022}, month = {APR}, pages = {1815-1822}, type = {Article}, abstract = {

Aligned nanocrystals of organic semiconductors (OSCs) are highly desirable for electronic devices and biomedical and photonic applications. Solution-based wet processing routes have the potential to produce aligned nanocrystals over large areas in small time frames. Herein, we demonstrate that by optimizing the hydrodynamic evaporative processes, controlled long-range crystalline assemblies of OSCs can be achieved (longest nanocrystal similar to 3 mm) purely through physical processes: namely, from fingering instabilities. Self-assembly is achieved here without strong noncovalent interactions such as hydrogen-bonding interactions. Experimentally our approach involves just placing a drop of a solution on an inclined substrate. Nanocrystals with widths of 300-800 nm and lengths of millimeters (length/width aspect ratios \>10(5)) are formed in less than 2-8 s. A hydrazine chemiresistive sensor based on the aligned crystalline patterns show unprecedented responsivity (similar to 10(-6)), 2 orders greater than those of stick-slip patterns. Finally, experimental parameters that need optimization to achieve nanocrystal patterns are investigated in detail and pointers to fabricate such OSC nanocrystals are provided.

}, keywords = {aligned fibers, diketopyrrolopyrrole, fingering instability, nanocrystal arrays, naphthalenediimide, organic semiconductors}, doi = {10.1021/acsaelm.2c00061}, author = {Venugopalan, Vijay and Jain, Bhanprakash and Mahale, Rajashree Y. and Subramani, Kumar and Krishnamoorthy, Kothandam} } @article {48082, title = {Investigation of the captopril-insulin interaction by mass spectrometry and computational approaches reveals that captopril induces structural changes in insulin}, journal = {ACS Omega}, volume = {7}, year = {2022}, month = {JUL}, pages = {23115-23126}, type = {Article}, abstract = {

ABSTRACT: Post-translational modifications remarkably regulate proteins{\textquoteright} biological function. Small molecules such as reactive thiols, metabolites, and drugs may covalently modify the proteins and cause structural changes. This study reports the covalent modification and noncovalent interaction of insulin and captopril, an FDA-approved antihypertensive drug, through mass spectrometric and computation-based approaches. Mass spectrometric analysis shows that captopril modifies intact insulin, reduces it into its {\textquoteleft}{\textquoteleft}A{\textquoteright}{\textquoteright} and {\textquoteleft}{\textquoteleft}B{\textquoteright}{\textquoteright} chains, and covalently modifies them by forming adducts. Since captopril has a reactive thiol group, it might reduce the insulin dimer or modify it by reacting with cysteine residues. This was proven with dithiothreitol treatment, which reduced the abundance of captopril adducts of insulin A and B chains and intact Insulin. Liquid chromatography tandem mass spectrometric analysis identified the modification of a total of four cysteine residues, two in each of the A and B chains of insulin. These modifications were identified to be Cys6 and Cys7 of the A chain and Cys7 and Cys19 of the B chain. Mass spectrometric analysis indicated that captopril may simultaneously modify the cysteine residues of intact insulin or its subunits A and B chains. Biophysical studies involving light scattering and thioflavin T assay suggested that the binding of captopril to the protein leads to the formation of aggregates. Docking and molecular dynamics studies provided insights into the noncovalent interactions and associated structural changes in insulin. This work is a maiden attempt to understand the detailed molecular interactions between captopril and insulin. These findings suggest that further investigations are required to understand the long-term effect of drugs like captopril.

}, issn = {2470-1343}, doi = {10.1021/acsomega.2c00660}, author = {Ghosh, Amrita and Pawar, Aiswarya B. and Chirmade, Tejas and Jathar, Swaraj M. and Bhambure, Rahul and Sengupta, Durba and Giri, Ashok P. and Kulkarni, Mahesh J.} } @article {48352, title = {Kinetic study on alkylation of hydroquinone with methanol over SO3H functionalized Bronsted acidic ionic liquids}, journal = {Canadian Journal of Chemical Engineering}, volume = {100}, year = {2022}, month = {OCT}, pages = {2986-2996}, type = {Article}, abstract = {

O-alkylation of a dihydric phenol (i.e., hydroquinone) with methanol in presence of benzoquinone catalyzed by double SO3H functionalized Bronsted acidic ionic liquids (i.e., 1,3-disulphonic acid imidazolium hydrogen sulphate, 1,3-disulphonic acid benzimidazolium hydrogen sulphate, and sulphuric acid) is studied in a batch reactor. The sensitivity of activity and selectivity with reaction time, temperature, speed of agitation, and catalyst loading was examined. The plausible reaction pathways proposed based on the experimental observations and detailed kinetic investigation are performed by assuming a homogeneous reaction phase. The kinetic parameters, such as pre-exponential factor and activation energy, are estimated for both ionic liquids and sulphuric acid by considering all competitive reactions, and comparative results were presented. An extended form of the Arrhenius equation is used to estimate the kinetic parameters for the reaction which showed curvature in lnk against a 1/T plot. The model prediction with the estimated kinetic parameters is in good agreement with the experimental data, which confirmed the model validity in the experimental operating range. It was found that ionic liquid has a potential application in the synthesis of a selective monoalkylated product of hydroquinone. The kinetic analysis performed is found to be useful in the understanding of process behaviour.

}, keywords = {4-Methoxyphenol, Hydroquinone, ionic liquids, Kinetic analysis, O-alkylation}, issn = {0008-4034}, doi = {10.1002/cjce.24307}, author = {Bhongale, V. Priyanka and Amonkar, Amogh A. and Joshi, Sunil S. and Mali, Nilesh A.} } @article {48061, title = {Looking beyond adsorption energies to understand interactions at surface using machine learning}, journal = {ChemistrySelect}, volume = {7}, year = {2022}, month = {OCT}, pages = {e202202414}, type = {Article}, abstract = {

Identifying factors that influence interactions at the surface is still an active area of research. In this work, the importance of analyzing bond length activations (BLact) along with adsorption energies (E-a) while interpreting Density Functional Theory (DFT) results is emphasized. Investigating adsorption of different small molecules, such as O-2, N-2, CO, and CO2, on commonly studied facets ((100), (110), and (111)) of seven fcc transition metal surfaces (M=Ag, Au, Cu, Ir, Rh, Pt, and Pd) demonstrates the missing linear correlation between E-a and BLact. Further, tree based Machine Learning (ML) models reinforce the missing linear correlation between the two parameters and also highlight the importance of analyzing both to develop a better understanding of adsorption at surfaces. The best performing Random Forest models have a mean absolute error (MAE) of 0.19 eV for E-a prediction, and even lower MAE of 0.012 angstrom for BLact prediction. While often d-band center is correlated with E-a, our observations show that infact the d-band center has a better correlation with BLact. These observations emphasizes the role of BLact in gaining a fuller picture for catalysis. The fact that the factors responsible for BLact is a lesser-explored subject adds to the novelty of the findings.

}, keywords = {Adsorption energy, Bondlength activation, catalysis, DFT, machine learning}, issn = {2365-6549}, doi = {10.1002/slct.202202414}, author = {Agarwal, Sheena and Joshi, Kavita} } @article {48150, title = {Luminescence turn-off detection of metal ions and explosives using graphene quantum dots}, journal = {MRS Communications}, volume = {12}, year = {2022}, month = {APR}, pages = {168-174}, type = {Article}, abstract = {

Green luminescent graphene quantum dots (GQDs) obtained from combustion of white printing paper were used for detection of fourteen different metal ions and six different explosives in an aqueous medium. These were obtained using a microwave-assisted synthesis process. After optimizing the experimental conditions (pH 6; quantum yield (QY) similar to 38.2\%), a sensitive sensing system was developed to detect explosives and free residual metal ions in the environment based on fluorescence quenching of GQDs. The as-synthesized GQDs, as a sensing system, is most sensitive for Cu2+ ion and 2,4-DNP with a detection limit of 0.62 mu M and 0.50 mu M, respectively.

}, issn = {2159-6859}, doi = {10.1557/s43579-022-00157-w}, author = {Jyotsna, Shubhra and Sadhu, Subha and Sharma, Vinay and Gupta, Preeti and Sharma, Geeta and Poddar, Pankaj} } @article {48236, title = {Machine learning-based approach to determine infection status in recipients of BBV152 (Covaxin) whole-virion inactivated SARS-CoV-2 vaccine for serological surveys}, journal = {Computers in Biology and Medicine}, volume = {146}, year = {2022}, month = {JUL}, pages = {105419}, type = {Article}, abstract = {

Data science has been an invaluable part of the COVID-19 pandemic response with multiple applications, ranging from tracking viral evolution to understanding the vaccine effectiveness. Asymptomatic breakthrough infections have been a major problem in assessing vaccine effectiveness in populations globally. Serological discrimination of vaccine response from infection has so far been limited to Spike protein vaccines since whole virion vaccines generate antibodies against all the viral proteins. Here, we show how a statistical and machine learning (ML) based approach can be used to discriminate between SARS-CoV-2 infection and immune response to an inactivated whole virion vaccine (BBV152, Covaxin). For this, we assessed serial data on antibodies against Spike and Nucleocapsid antigens, along with age, sex, number of doses taken, and days since last dose, for 1823 Covaxin recipients. An ensemble ML model, incorporating a consensus clustering approach alongside the support vector machine model, was built on 1063 samples where reliable qualifying data existed, and then applied to the entire dataset. Of 1448 self-reported negative subjects, our ensemble ML model classified 724 to be infected. For method validation, we determined the relative ability of a random subset of samples to neutralize Delta versus wild-type strain using a surrogate neutralization assay. We worked on the premise that antibodies generated by a whole virion vaccine would neutralize wild type more efficiently than delta strain. In 100 of 156 samples, where ML prediction differed from self-reported uninfected status, neutralization against Delta strain was more effective, indicating infection. We found 71.8\% subjects predicted to be infected during the surge, which is concordant with the percentage of sequences classified as Delta (75.6\%-80.2\%) over the same period. Our approach will help in real-world vaccine effectiveness assessments where whole virion vaccines are commonly used.

}, keywords = {BBV152, Covaxin, COVID-19, Ensemble methods, Infection, machine learning, SARS-CoV-2}, issn = {0010-4825}, doi = {10.1016/j.compbiomed.2022.105419}, author = {Singh, Prateek and Ujjainiya, Rajat and Prakash, Satyartha and Naushin, Salwa and Sardana, Viren and Bhatheja, Nitin and Singh, Ajay Pratap and Barman, Joydeb and Kumar, Kartik and Gayali, Saurabh and Khan, Raju and Rawat, Birendra Singh and Tallapaka, Karthik Bharadwaj and Anumalla, Mahesh and Lahiri, Amit and Kar, Susanta and Bhosale, Vivek and Srivastava, Mrigank and Mugale, Madhav Nilakanth and Pandey, C. P. and Khan, Shaziya and Katiyar, Shivani and Raj, Desh and Ishteyaque, Sharmeen and Khanka, Sonu and Rani, Ankita and Promila and Sharma, Jyotsna and Seth, Anuradha and Dutta, Mukul and Saurabh, Nishant and Veerapandian, Murugan and Venkatachalam, Ganesh and Bansal, Deepak and Gupta, Dinesh and Halami, Prakash M. and Peddha, Muthukumar Serva and Veeranna, Ravindra P. and Pal, Anirban and Singh, Ranvijay Kumar and Anandasadagopan, Suresh Kumar and Karuppanan, Parimala and Rahman, Syed Nasar and Selvakumar, Gopika and Venkatesan, Subramanian and Karmakar, Malay Kumar and Sardana, Harish Kumar and Kothari, Anamika and Parihar, Devendra Singh and Thakur, Anupma and Saifi, Anas and Gupta, Naman and Singh, Yogita and Reddu, Ritu and Gautam, Rizul and Mishra, Anuj and Mishra, Avinash and Gogeri, Iranna and Rayasam, Geethavani and Padwad, Yogendra and Patial, Vikram and Hallan, Vipin and Singh, Damanpreet and Tirpude, Narendra and Chakrabarti, Partha and Maity, Sujay Krishna and Ganguly, Dipyaman and Sistla, Ramakrishna and Balthu, Narender Kumar and Kumar, Kiran A. and Ranjith, Siva and Kumar, B. Vijay and Jamwal, Piyush Singh and Wali, Anshu and Ahmed, Sajad and Chouhan, Rekha and Gandhi, Sumit G. and Sharma, Nancy and Rai, Garima and Irshad, Faisal and Jamwal, Vijay Lakshmi and Paddar, Masroor Ahmad and Khan, Sameer Ullah and Malik, Fayaz and Ghosh, Debashish and Thakkar, Ghanshyam and Barik, S. K. and Tripathi, Prabhanshu and Satija, Yatendra Kumar and Mohanty, Sneha and Khan, Md Tauseef and Subudhi, Umakanta and Sen, Pradip and Kumar, Rashmi and Bhardwaj, Anshu and Gupta, Pawan and Sharma, Deepak and Tuli, Amit and Chaudhuri, Saumya Ray and Krishnamurthi, Srinivasan and Prakash, L. and Rao, V. Ch and Singh, B. N. and Chaurasiya, Arvindkumar and Chaurasiya, Meera and Bhadange, Mayuri and Likhitkar, Bhagyashree and Mohite, Sharada and Patil, Yogita and Kulkarni, Mahesh and Joshi, Rakesh and Pandya, Vaibhav and Mahajan, Sachin and Patil, Amita and Samson, Rachel and Vare, Tejas and Dharne, Mahesh and Giri, Ashok and Mahajan, Sachin and Paranjape, Shilpa and Sastry, G. Narahari and Kalita, Jatin and Phukan, Tridip and Manna, Prasenjit and Romi, Wahengbam and Bharali, Pankaj and Ozah, Dibyajyoti and Sahu, RaviKumar and Dutta, Prachurjya and Singh, Moirangthem Goutam and Gogoi, Gayatri and Tapadar, Yasmin Begam and Babu, Elapavalooru V. S. S. K. and Sukumaran, Rajeev K. and Nair, Aishwarya R. and Puthiyamadam, Anoop and Valappil, Prajeesh Kooloth and Prasannakumari, Adrash Velayudhan Pillai and Chodankar, Kalpana and Damare, Samir and Agrawal, Ved Varun and Chaudhary, Kumardeep and Agrawal, Anurag and Sengupta, Shantanu and Dash, Debasis} } @article {48085, title = {Magnetostriction studies on transition metal substituted cobalt ferrite}, journal = {Journal of the Indian Chemical Society}, volume = {99}, year = {2022}, month = {AUG}, pages = {100599}, type = {Article}, abstract = {

Structural, magnetic and microstructural properties of transition metal (TM) substituted cobalt ferrite Co0.9TM0.1Fe2O4 (where TM = Ti, Cr, Mn, Ni and Cu and Zn) were investigated. The present study shows marked dependence of the magnetostriction on the concentration of the substituted transition metal ions for Cobalt in CoFe2O4. The magnetic characteristics of the prepared compositions such as coercivity, anisotropy constant and saturation magnetization changed significantly on transition metal substitution. The present study shows the way to tune the anisotropy of cobalt ferrite by effective substitution of other transition metal ions for Co which subsequently affects the stress sensing performance by changing the slope of the magnetostriction curve. Apart from the magnetic properties the microstructure can also be effectively modified by substitution of other transition metal ions. Only 10\% substitution of cobalt showed drastic influence on magnetostriction and slope of magnetostriction curve. The composition with 10\% nickel Co0.9Ni0.1Fe2O4 exhibited maximum slope for the magnetostriction curve of -53.7 ppm/Oe, along with reasonably high magnitude of strain of 186 ppm making it a suitable for exploring stress sensing applications.

}, keywords = {Ferrite, Magnetoelastic, Magnetostriction, oxide, stress sensing}, issn = {0019-4522}, doi = {10.1016/j.jics.2022.100599}, author = {Bhame, D. Shekhar and Bhapkar, Abhishek and Shirolkar, Mandar M. and Joy, Pattayil A.} } @article {48034, title = {Metal-free approach towards efficient synthesis of FDCA using a p-toluene sulfonic acid (p-TSA)-derived heterogeneous solid acid catalyst and oxone over two steps from HMF, fructose and glucose}, journal = {New Journal of Chemistry}, volume = {46}, year = {2022}, month = {MAY}, pages = {10272-10279}, type = {Article}, abstract = {

In this work, a metal-free approach towards the synthesis of 2,5-furandicarboxylic acid (FDCA) from 5-hydroxymethylfurfural (HMF), fructose and glucose is reported over two steps using a p-toluene sulfonic acid (p-TSA)-derived heterogeneous solid acid catalyst (p-TSA-POM) in the first step and oxone as an oxidant in the second step. HMF, fructose and glucose were converted to 2,5-diformylfuran (DFF) using the p-TSA-POM catalyst followed by oxidation of DFF to FDCA using oxone. To the best of our knowledge, this is the first metal-free approach for the synthesis of FDCA directly from glucose. DFF was obtained from HMF in 91\% yield, whereas it was obtained in 85\% and 61\% yields from fructose \& glucose, respectively. DFF was further converted to FDCA using oxone as an oxidant. FDCA was obtained in an overall yield of 84\%, 78\% and 56\% from HMF, fructose \& glucose, respectively.

}, issn = {1144-0546}, doi = {10.1039/d2nj01207c}, author = {Tamboli, Asma T. Biradar and Kirdant, Swapnali P. and Jadhav, Vrushali H.} } @article {47990, title = {MgB2/NaNO2-PVA free-standing polymer composite film as a green firework: a step towards environmental sustainability}, journal = {Bulletin of Materials Science}, volume = {45}, year = {2022}, month = {SEP }, pages = {175}, type = {Article}, abstract = {

We have demonstrated a simple fabrication methodology of free-standing polymer composite film firework that sparkles, provides colour display and moderate sound, yet is less polluting. The polymer composite film fireworks are composed of magnesium boride (MgB2), sodium nitrite (NaNO2) and poly(vinyl alcohol) (PVA). This study also suggested that a flammable, explosive powder composition can be made of two very common inorganic precursors, mainly NaNO2 and MgB2 . This is the first report demonstrating composite film fireworks with new flammable composition using metal boride as a primary precursor, which can also be used in conventional fireworks fabrication, replacing the traditional fuel, mainly gunpowder. The film fireworks were free from charcoal, sulphur, metal powder and paper. Therefore, they substantially lower the odour and COx, NOx, emissions and minimize the substantial trash generated when burned. Most importantly, film firework{\textquoteright}s minimum ignition temperature and exothermic decomposition temperature are much higher than the ambient temperature; hence are safe to handle.

}, keywords = {Firework, free-standing film, magnesium boride (MgB2), poly(vinyl alcohol) (PVA), sodium nitrite (NaNO2)}, issn = {0250-4707}, doi = {10.1007/s12034-022-02756-8}, author = {Jeyavani, Vijayakrishnan and Kumar, Rajendra and Joy, Pattayil Alias and Mukherjee, Shatabdi Porel} } @inbook {47812, title = {Molecular determinants of GPCR pharmacogenetics: deconstructing the population variants in β2-adrenergic receptor}, booktitle = {Advances in Protein Chemistry and Structural Biology}, volume = {128}, year = {2022}, month = {JAN}, pages = {361-396}, type = {Article}, abstract = {

G protein-coupled receptors (GPCRs) are membrane proteins that play a central role in cell signaling and constitute one of the largest classes of drug targets. The molecular mechanisms underlying GPCR function have been characterized by several experimental and computational methods and provide an understanding of their role in physiology and disease. Population variants arising from nsSNPs affect the native function of GPCRs and have been implicated in differential drug response. In this chapter, we provide an overview on GPCR structure and activation, with a special focus on the β2-adrenergic receptor (β2-AR). First, we discuss the current understanding of the structural and dynamic features of the wildtype receptor. Subsequently, the population variants identified in this receptor from clinical and large-scale genomic studies are described. We show how computational approaches such as bioinformatics tools and molecular dynamics simulations can be used to characterize the variant receptors in comparison to the wildtype receptor. In particular, we discuss three examples of clinically important variants and discuss how the structure and function of these variants differ from the wildtype receptor at a molecular level. Overall, the chapter provides an overview of structure and function of GPCR variants and is a step towards the study of inter-individual differences and personalized medicine.

}, isbn = {9780323988957}, doi = {10.1016/bs.apcsb.2021.08.002}, author = {Joshi, Manali and Nikte, Siddhanta and Sengupta, Durba} } @article {47118, title = {Molecular elucidation of pancreatic elastase inhibition by baicalein}, journal = {Journal of Biomolecular Structure \& Dynamics}, volume = {40}, year = {2022}, month = {JUL}, pages = {5759-5768}, type = {Article}, abstract = {

The serine protease, elastase exists in various forms and plays diverse roles in the human body. Pharmacological inhibition of elastase has been investigated for its therapeutic role in managing conditions such as diabetes, pneumonia and arthritis. Sivelestat, a synthetic molecule, is the only elastase inhibitor to have been approved by any major drug regulatory authority (PMDA, in this case) - but still has failed to attain widespread clinical usage owing to its high price, cumbersome administration and obscure long-term safety profile. In order to find a relatively better-suited alternative, screening was conducted using plant flavonoids, which yielded baicalein, a molecule that showed robust inhibition against Pancreatic Elastase inhibition (IC50: 3.53 mu M). Other than having a considerably lower IC(50)than sivelestat, baicalein is also cheaper, safer and easier to administer. While MicroScale Thermophoresis validated baicalein-elastase interaction, enzyme-kinetic studies, molecular docking and molecular dynamic simulation revealed the mode of inhibition to be non-competitive. Baicalein exhibited binding to a distinct allosteric site on the enzyme. The current study demonstrates the elastase inhibition properties of baicalein in an in-vitro and in-silico environment.

}, keywords = {Baicalein, elastase, Enzyme inhibition, molecular interaction, sivelestat}, issn = {0739-1102}, doi = {10.1080/07391102.2021.1873189}, author = {Ghosh, Debajeet and Bansode, Sneha and Joshi, Rakesh and Kolte, Baban and Gacche, Rajesh} } @article {47391, title = {Molecular phylogeny, structure modeling and in silico screening of putative inhibitors of aerolysin of Aeromonas hydrophila EUS112}, journal = {Journal of Biomolecular Structure \& Dynamics}, volume = {40}, year = {2022}, month = {JUN}, type = {Article}, abstract = {

Aeromonas hydrophila, a Gram-negative bacterium, causes diseases in fish, resulting in excessive loss to the aquaculture industry. Aeromonas is a highly heterogeneous group of bacteria, and the heterogeneity of the genus is attributed to variation and diversity in the virulence factors and toxins among various Aeromonas strains. One of the major toxins aerolysin, secreted by the bacterium, causes hemorrhagic-septicemia and diarrhea and can serve as a drug target. Here, we describe characterization, molecular phylogeny, and homology modeling of the aerolysin of A. hydrophila strain EUS112 (Ah(EUS112)) cloned in our lab. The encoded aerolysin is 485 amino acids long with an N-terminal signal sequence of 23 amino acids. Phylogenetic analysis of the aerolysin of Ah(EUS112) revealed that it belongs to a diverse group of toxins, showing maximum similarity with aerolysins of other Aeromonas strains followed by Vibrio toxin. The homology model of the mature aerolysin of Ah(EUS112) was generated using the crystal structure of a mutant aerolysin (PDB\#3g4n) as the template, which showed that the encoded aerolysin exists as a channel protein. Validation of the generated model using bioinformatics tool confirmed it to be a good quality model that can be used for drug design. Molecular dock analysis revealed that drugs, aralia-saponin I, cyclamin, ardisiacrispin B, and aralia-saponin II bind to aerolysin with a higher affinity as compared to other drugs and at functionally important amino acids of aerolysin. Hence, these molecules can act as an effective therapeutics for inhibiting the aerolysin pore formation and curtail the severity of Aeromonas infection. Communicated by Ramaswamy H. Sarma

}, keywords = {Aerolysin, homology modeling, Molecular docking, Molecular dynamic simulation, phylogenetic tree}, issn = {0739-1102}, doi = {10.1080/07391102.2021.1918254, Early Access Date = APR 2021}, author = {Yadav, Sunita Kumari and Panwar, Deepak and Singh, Ankita and Tellis, Meenakshi B. and Joshi, Rakesh Shamsunder and Dixit, Aparna} } @article {47825, title = {Native state conformational heterogeneity in the energy landscape of protein folding}, journal = {Biophysical Chemistry}, volume = {283}, year = {2022}, month = {APR}, pages = {106761}, type = {Article}, abstract = {The native structure of proteins is central to various functions performed by cells. A vital part of the structure-function paradigm of proteins is their inherent flexibility and dynamics. The dynamic interconversion between the conformational substates in the heterogeneous native state basin of the energy landscape enables a single protein molecule to perform multiple functions. The dynamics among the substates are assisted by the motion of different structural elements of a protein out of which side-chains of amino acids hold a significant position due to their involvement in various functions such as molecular recognition and dynamic allostery. This review briefly describes the origin of conformational heterogeneity in the native state ensemble and the motions of different structural modules that assist the equilibrium dynamics of the conformational substates. The review then centers the discussion on conformational heterogeneity due to side-chain movements in proteins, the experimental methods to detect and characterize them and their role in performing multiple functions.}, keywords = {Conformational heterogeneity, Dry molten globules, Energy landscape model, Native state, Side-chain packing}, issn = {0301-4622}, doi = {10.1016/j.bpc.2022.106761}, author = {Mishra, Prajna and Jha, Santosh Kumar} } @article {48343, title = {Nickel-catalyzed direct synthesis of N-substituted indoles from amino alcohols and alcohols}, journal = {Organic Letters}, volume = {24}, year = {2022}, month = {DEC}, pages = {9054-9059}, type = {Article}, abstract = {

A one-pot cascade approach for the synthesis of N substituted indoles from amino alcohols and alcohols under additive and base-free conditions with the liberation of water as the only stoichiometric byproduct is reported. The commercially available bench-stable Ni(OTf)2 salt in combination with 1,2-bis(dicyclohexylphosphino)ethane (dcype) is very effective for this unprecedented catalytic transformation. A broad range of substrates including aromatic and aliphatic primary alcohols, cyclic and acyclic secondary alcohols, and various substituted 2-aminophenyl ethyl alcohols are employed in the reaction conditions to provide a diverse range of N-alkylated indoles. Mechanistic studies revealed that the reaction proceeds through tandem N-alkylation via hydrogen autotransfer followed by the cyclization of N-alkylated alcohol intermediate.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.2c03617}, author = {Yadav, Vinita and Jagtap, Sayali G. and Balaraman, Ekambaram and Mhaske, Santosh B.} } @article {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 {47770, title = {Novel 3-fluoro-4-morpholinoaniline derivatives: synthesis and assessment of anti-cancer activity in breast cancer cells}, journal = {Journal of Molecular Structure}, volume = {1253}, year = {2022}, month = {APR }, pages = {132127}, type = {Article}, abstract = {Heterocyclic morpholine compounds are well-known for their anti-cancer activity. In this study, novel morpholine and its sulfonamide derivatives were designed and synthesized as potential anti-tumor agents. The new compounds were obtained from amine derivatives via nucleophilic addition reactions, providing the desired products in 70 to 90\% yield. The docking analysis was performed for all thirty-one compounds. Out of them, we represent the docking poses for compounds NAM-5 and NAM-7 as representatives. After docking analysis, compounds NAM-5 and NAM- 7 were tested for in vitro antitumor activity against breast cancer cell lines (MCF-7 and MDA-MB-231) and healthy mouse embryonic fibroblast cell line (3T3L-1). Amongst these, sulfonamide group-containing compound NAM-5 showed significant anti-proliferative activity with IC50 of 1.811 mu M and 2.143 mu M for MCF-7 and MDA-MB-231 cells, respectively. On the other hand, NAM-7 showed good anti-proliferative activity against MCF-7 (IC50 1.883 mu M) but slightly lower activity against MDA-MB-231 cells (IC50 4.688 mu M). The activity of both the compound was also tested on 3T3L-1 Cell line which showed activity similar to clinically approved anti-cancer drug doxorubicin (DOX). The cell death analysis by flow-cytometry confirmed apoptosis mediated cell death in 3T3L-1, MCF-7 and MDA-MB-231 cells when treated with the NAM-5 and NAM-7, respectively. The results demonstrated that the synthesized sulfonamide derivatives have significant potential as anti-cancer agents and have a substantial importance in cancer therapeutics with favourable safety profile. Structural analysis of docked poses of sulfonamide derivatives attempts to shed light on the structural basis of sulfonamide derivatives based anti-cancer effect. (C) 2021 Elsevier B.V. All rights reserved.}, keywords = {Anticancer activity, Apoptosis, Breast cancer, Heterocyclic compounds, Morpholine, Sulfonamide}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2021.132127}, author = {More, Namita A. and Jadhao, Nitin L. and Meshram, Rohan J. and Tambe, Prajakta and Salve, Rajesh A. and Sabane, Jagjivan K. and Sawant, Sanskruti N. and Gajbhiye, Virendra and Gajbhiye, Jayant M.} } @article {48057, title = {Predicting the redox potentials of phenazine derivatives using DFT-assisted machine learning}, journal = {ACS Omega}, volume = {7}, year = {2022}, month = {APR }, pages = {11742-11755}, type = {Article}, abstract = {

This study investigates four machine-learning (ML) models to predict the redox potentials of phenazine derivatives in dimethoxyethane using density functional theory (DFT). A small data set of 151 phenazine derivatives having only one type of functional group per molecule (20 unique groups) was used for the training. Prediction accuracy was improved by a combined strategy of feature selection and hyperparameter optimization, using the external validation set. Models were evaluated on the external test set containing new functional groups and diverse molecular structures. High prediction accuracies of R2 \> 0.74 were obtained on the external test set. Despite being trained on the molecules with a single type of functional group, models were able to predict the redox potentials of derivatives containing multiple and different types of functional groups with good accuracies (R2 \> 0.7). This type of performance for predicting redox potential from such a small and simple data set of phenazine derivatives has never been reported before. Redox flow batteries (RFBs) are emerging as promising candidates for energy storage systems. However, new green and efficient materials are required for their widespread usage. We believe that the hybrid DFT-ML approach demonstrated in this report would help in accelerating the virtual screening of phenazine derivatives, thus saving computational and experimental costs. Using this approach, we have identified promising phenazine derivatives for green energy storage systems such as RFBs.

}, issn = {2470-1343}, doi = {10.1021/acsomega.1c06856}, author = {Ghule, Siddharth and Dash, Soumya Ranjan and Bagchi, Sayan and Joshi, Kavita and Vanka, Kumar} } @article {47750, title = {Progress and potential of electrospinning-derived substrate-free and binder-free lithium-ion battery electrodes}, journal = {Chemical Engineering Journal}, volume = {430}, year = {2022}, month = {FEB }, pages = {132876}, type = {Review}, abstract = {Carbon nanofibers derived from electrospun precursors show great promise for electronic applications owing to their flexibility, conductivity, high surface area, and open structure. The integration of metal oxides and sulfides in carbon nanofibers, rather than using them with other binders, eliminates many problems caused by poor adhesion, nanomaterial agglomeration, excess mass contributed by inactive binders, and low conductivity of embedded active materials. The engineering of electrospun fibers with novel morphologies, such as core-shell, hollow, or porous structures, and the use of decorated carbon nanofibers (e.g., by electrodeposition or co precipitation) are discussed in this review. Representative schematic illustrations of the lithium-storage mechanism for these binder-free electrodes are presented. We describe how the electrospinning technique can offer a cost-effective strategy for fabrication of lightweight lithium-ion batteries with high capacity and excellent bendability. This review presents the fascinating morphologies of these specially designed carbon nanofiber electrodes, which enhance the electrochemical performance of metal oxides and sulfides, illustrating their enormous potential for use in wearable electronic devices and hybrid electric vehicles.}, keywords = {Carbon nanofibers, Co-axial, composites, core-shell, electrospinning, Flexible}, issn = {1385-8947}, doi = {10.1016/j.cej.2021.132876}, author = {Joshi, Bhavana and Samuel, Edmund and Kim, Yong-il and Yarin, Alexander L. and Swihart, Mark T. and Yoon, Sam S.} } @article {48201, title = {Pseudo-boehmite AlOOH supported NGr composite-based air electrode for mechanically rechargeable Zn-air battery applications}, journal = {Journal of Materials Chemistry A}, volume = {10}, year = {2022}, month = {MAY}, pages = {10014-10025}, type = {Article}, abstract = {

Both mechanically and electrically rechargeable zinc-air batteries (ZABs) have received much interest due to their high energy density and suitability for mobile and stationary applications. However, their commercialization has been impeded by the lack of robust, low-cost and environmentally benign catalyst materials that can be easily scaled up. In this context, the present work introduces a new type of transition metal-free catalytic material (AlOOH/NGr) by anchoring the pseudo-boehmite phase of aluminium oxyhydroxide (AlOOH) nanosheets over nitrogen-doped graphene (NGr) via a single-step and straightforward hydrothermal process. Furthermore, density functional theory (DFT) based computation demonstrates that the nucleation of AlOOH starts from the N-sites and points towards the strong surface interaction between AlOOH and NGr via doped nitrogen. AlOOH/NGr consisting of thin layered pseudo-boehmite sheets uniformly distributed over NGr has displayed an oxygen reduction reaction onset potential of 0.83 V and a half-wave potential of 0.72 V, along with good catalytic durability in alkaline medium. With this, AlOOH/NGr, when used as an air electrode for fabricating a primary Zn-air battery, the system has exhibited an open circuit voltage of similar to 1.27 V with a flat discharge profile at a current rate of 10 mA cm(-2). The fabricated system delivered a specific capacity of similar to 720 mA h g(-1) and a high power density of 204 mW cm(-2) and is comparable to the counterpart system based on the state-of-the-art Pt/C (20 wt\% Pt) cathode. Additionally, the homemade battery was able to maintain its performance after 4 times of mechanical recharging of the battery, which lasted for more than 35 h at a discharge current density of 10 mA cm(-2). Thus, we have uncovered the potential of an earth-abundant metal-based catalytic system for fabricating and demonstrating a robust mechanically rechargeable zinc-air battery.

}, issn = {2050-7488}, doi = {10.1039/d2ta00546h}, author = {Kharabe, Geeta Pandurang and Manna, Narugopal and Nadeema, Ayasha and Singh, Santosh K. and Mehta, Shweta and Nair, Aathira and Joshi, Kavita and Kurungot, Sreekumar} } @article {48133, title = {Reactivity of four coordinate iridium complex towards hydrogen: an experimental and computational study}, journal = {Journal of Organometallic Chemistry}, volume = {965}, year = {2022}, month = {MAY}, pages = {122317}, type = {Article}, abstract = {

Reaction of a four coordinate, 16-electron Ir complex, [Ir-(iPr)4(POCOP)(PPh3)] (4 ) (((iPr)4)(POCOP= 2,6-bis(di-isopropyl phosphinito)benzene, kappa(3)-C6H3-1,3-[OP((iPr))(2)](2)), with H-2 resulted in an oxidative addition product, cis-dihydride complex, cis-[Ir(H)(2) ((iPr)4)(POCOP)(PPh3)] ( cis-5 ) presumably via the intermediacy of a sigma complex, [Ir(eta(2)-H-2)((iPr)4)(POCOP)(PPh3)]. The cis-dihydride complex completely isomerizes to the trans-dihydride complex trans-[Ir(H)(2) ((iPr)4)(POCOP)(PPh3)] ( trans-5 ) under ambient conditions in about 3 h. It was found that the steric and electronic features on the iridium center have significant influence on the approach of H-2 onto the metal center followed by oxidative addition and isomerization. The isomerization process was studied in detail and all the mechanistic aspects have been elucidated using a combination of both experimental work and computation. The cis-dihydride complex isomerizes to the trans-dihydride by compensating the trans influence of the strongly trans-directing hydride ligand. A mechanism involving the exchange of the position of PPh3 with a hydride ligand cis to itself via PPh3 dissociation and re-coordination thereby resulting in the formation of the trans-dihydride complex, has been proposed for the isomerization. The cis-dihydride was found to be a highly active catalyst for hydrogenation of ethy-lene. A competing reactivity study of cis-dihydride between isomerization versus insertion of C2H4 into the Ir-H bond, was studied experimentally and computationally. (c) 2022 Elsevier B.V. All rights reserved.

}, keywords = {Hydrogenation, Insertion, iridium complex, isomerization, Oxidative addition, Reductive elimination}, issn = {0022-328X}, doi = {10.1016/j.jorganchem.2022.122317}, author = {Agrawal, Nisha K. and Dash, Soumya R. and Vanka, Kumar and Nethaji, Munirathinam and Jagirdar, Balaji R.} } @article {47992, title = {Recent developments in the applications of biomass-derived sulfonated carbonaceous solid acid catalysts}, journal = {Helvetica Chimica Acta}, volume = {105}, year = {2022}, month = {AUG}, pages = {e202200032}, type = {Review}, abstract = {

Recently, carbon-based materials are gaining a lot of attraction. It is considered as an emerging area of research and has gained significant importance as an efficient catalyst/material in various fields. Biomass is abundantly available, cheap and a renewable carbon resource. Sulfonated carbonaceous solid acid catalyst can be derived by sulfonation of various sources of biomass such as sugars, lignin, fruit waste, agro-waste, bio-char, etc. Sulfonated carbonaceous solid acid catalysts can be used as a substitute to liquid acids. These catalysts possess a stable carbon skeleton and are insoluble in almost all organic solvents as well as under acidic/basic conditions. This review covers details about biomass-derived sulfonated carbonaceous solid acid catalysts and its catalytic activities in many important transformations such as hydrolysis of cellulose, synthesis of biodiesel, synthesis of various important chemicals and for various organic transformations.

}, keywords = {Biodiesel, Biomass, cellulose, Hydrolysis, sulfonated carbonaceous solid acid catalyst}, issn = {0018-019X}, doi = {10.1002/hlca.202200032}, author = {Kirdant, Swapnali P. and Tamboli, Asma T. Biradar and Jadhav, Vrushali H.} } @article {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 {48386, title = {Reinforcement of electrospun polyurethane fibers with resorcinol-formaldehyde resin}, journal = {Journal of Applied Polymer Science}, volume = {139}, year = {2022}, month = {MAY}, pages = {e52007}, type = {Article}, abstract = {

This work reports a simple method to improve the properties of electrospun nanofibers. The procedure involves developing nanofibers using electrospinning followed by liquid infiltration to reinforce the fibers. Coating of polyurethane nanofibers (PUN) with resorcinol-formaldehyde (RF) significantly improves the properties of PUN. Furthermore, the morphology of fiber interface and the properties of RF coated fibers indicate that RF resin reinforces the interface between the fibers. The method leads to improvement in mechanical properties of PUN. An improvement of about 94\% and 281\% in mechanical properties like tensile strength and modulus, respectively, compared to neat PUN fibers is achieved by coating with 20\% wt/vol of RF solution.

}, keywords = {Dynamic mechanical analysis, electrospinning, liquid infiltration, polyurethane, reinforced nanofibers, resorcinol-formaldehyde}, issn = {0021-8995}, doi = {10.1002/app.52007}, author = {Nair, Kiran Sukumaran and James, Nirmala Rachel} } @article {48080, title = {Reusable and efficient polystyrene immobilized ionic liquid catalyst for batch and flow methylation of hydroquinone}, journal = {Catalysis Letters}, volume = {152}, year = {2022}, month = {NOV}, pages = {3304-3316}, type = {Article}, abstract = {

An environmentally benign process for synthesizing 4-methoxyphenol through methylation of hydroquinone using polystyrene immobilized Bronsted acidic ionic liquid is presented. The catalyst has been characterized by several techniques, such as solid-state NMR, FTIR, and XRD. The morphological properties were analyzed through SEM and TEM analysis. The elemental analysis was performed using EDS and XPS techniques. The catalyst was thermally stable up to 603 K, which was confirmed by TGA. The chemical interaction between ionic liquid and polystyrene was confirmed by measuring the glass transition temperature of pure polystyrene and catalyst. The BET analysis was performed to estimate the catalyst{\textquoteright}s surface area, pore size, and pore volume. The recyclability of the proposed new catalyst was established up to five recycle runs in the batch mode. In addition, continuous flow experiments were conducted to test the catalytic activity in terms of catalyst life span and showed excellent stability up to 20 h. The rapid separation, long-term stability, and efficient recycling of synthesized polymeric catalysts make an excellent alternative to the commonly used homogeneous catalysts for selective O-methylation of hydroquinone reaction. The newly developed continuous process for synthesizing 4-methoxyphenol with 100\% selectivity suggests good opportunities to reduce energy consumption, which designates a cost-effective process. [GRAPHICS] .

}, keywords = {4-Methoxyphenol, Hydroquinone, O-methylation, Polystyrene immobilized ionic liquid}, issn = {1011-372X}, doi = {10.1007/s10562-022-03918-3}, author = {Bhongale, V. Priyanka and Joshi, Sunil S. and Mali, Nilesh A.} } @article {48226, title = {Review of recent progress in electrospinning-derived freestanding and binder-free electrodes for supercapacitors}, journal = {Coordination Chemistry Reviews}, volume = {460}, year = {2022}, month = {JUN }, pages = {214466}, type = {Review}, abstract = {

The versatile electrospinning technique is scalable and suitable to fabricate highly conducting freestanding carbon nanofiber composite electrodes for energy storage devices. Freestanding/flexible electrodes hold enormous potential for use in wearable electronic devices. Carbon-yielding polymers and the optimal use of sacrificial polymers, metal oxides, and sulfides retain the flexibility and enhance the surface area and pseudocapacitance of electrodes. Both as-prepared electrospun fibers and carbonized nanofibers are compatible with surface decoration via various chemical and electrochemical routes. Metal oxides/sulfides with various morphologies, such as nanocones and nanosheets, can be grown on the carbon nanofibers or on the as-prepared electrospun fibers using chemical synthesis methods such as electro-deposition, hydrothermal processes, and chemical impregnation to enhance the pseudocapacitance of the electrodes. Similarly, the deposition of metal organic frameworks on as-prepared electrospun fibers embellishes these fibers with nanostructures of specific morphologies such as dodecahedral and spindle-shaped structures. Under optimal conditions, these morphologies do not hamper the flexibility of the fibers, and binders are not required to retain them or maintain the electrode integrity. The engineering of electrodes with various morphologies and process parameters is presented systematically. Electrospinning-derived electrodes that have demonstrated significant electrochemical performance are highlighted and critically analyzed, and the energy storage mechanisms of these supercapacitors are described in detail. (C) 2022 Elsevier B.V. All rights reserved.

}, keywords = {Carbon nanofibers, Co-axial, composites, core-shell, electrospinning, Flexible, Porous, supercapacitor}, issn = {0010-8545}, doi = {10.1016/j.ccr.2022.214466}, author = {Joshi, Bhavana and Samuel, Edmund and Kim, Yong-il and Yarin, Alexander L. and Swihart, Mark T. and Yoon, Sam S.} } @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 {47656, title = {Role of facet in the competitive pathway of ethylene epoxidation}, journal = {Surface Science}, volume = {716}, year = {2022}, month = {FEB}, pages = {121954}, type = {Article}, abstract = {Ethylene epoxide (EtO) is used as raw material for a broad range of products from pharmaceuticals and plastics to paints and adhesives. Although the reaction of ethylene interacting with preadsorbed oxygen on Ag surface is known for decades, the underlying mechanism of EtO formation is not completely understood. Successful investigation of oxametallacycle (OMC) intermediate common to selective as well as non-selective pathways has ensured at least 50\% selectivity. The current study brings out the electronic signatures of distinct conformers of OMC stabilised on two different facets of Ag viz. (100) and (111). There are subtle differences between OMC conformers observed on these two facets with near-eclipsed on Ag(100) and near-staggered on Ag(111). A detailed analysis of Ag-O, C-O, C-C, and Ag-C interactions along with projected Density of States (pDOS) and projected Crystal Orbital Hamilton Population (pCOHP) imply towards ring closure on Ag(100) and hydrogen transfer on Ag(111). Finally, our understanding based on electronic and structural signatures are backed up by activation barriers computed through NEB calculations. Activation barrier for EtO is lower on (100) as compared to (111) facet. Thus, our study sheds light on how these differences between OMC affect the selectivity towards EtO.}, keywords = {Ag(100), Ag(111), DFT, epoxidation, Ethylene Oxide (EtO), OMC}, issn = {0039-6028}, doi = {10.1016/j.susc.2021.121954}, author = {Nair, Aathira and Kenge, Nivedita and Joshi, Kavita} } @article {48059, title = {Rongalite as a sulfone source: sulfonylation of para-quinone methides and alkyl/allyl halides}, journal = {Chemistry-an Asian Journal}, volume = {17}, year = {2022}, month = {AUG}, pages = {e202200408}, type = {Article}, abstract = {

A one-pot three-component reaction using p-quinone methides, rongalite and alkyl/allyl halides has been described. The corresponding unsymmetrical sulfones were obtained in good yields under mild reaction conditions in the absence of any metal, base or any other additive.

}, keywords = {Alkyl halides, diaryl methine, p-Quinone methide, rongalite, sulfonylation}, issn = {1861-4728}, doi = {10.1002/asia.202200408}, author = {Kale, Someshwar B. and Jori, Popat K. and Das, Utpal} } @article {48176, title = {Silk fibroin and recombinant elastin blend nano-coatings for implantable medical devices}, journal = {Materials Today Communications}, volume = {33}, year = {2022}, month = {DEC}, pages = {104875}, type = {Article}, abstract = {

Silicone breast implants are conventionally used to reconstruct the shape and size of the breast in breast cancer patients. However, rate of failure of implants due to formation of capsular contracture is significantly high. Recent studies have shown that coating the surface of the implant with a biocompatible polymer can mitigate this risk. Here, we have modified the surface of implant using a biocompatible natural biopolymer silk fibroin (SF). Further, we have developed formulations of SF with a recombinantly produced elastin-like-peptide (ELP) and compared their performance with a known anti-fouling hydrophilic polymer - polyethylene oxide (PEO). Microscopic and spectroscopic characterization confirm the formation of uniform coatings. These coatings have been also characterized for their ability to resists crack formation. Further, the coatings have been evaluated for their biological performance. Our studies show that addition of 25 wt\% of ELP to SF significantly enhances the crack resistance for the coatings. In addition, SF/ELP coatings reduce the adsorption of blood plasma proteins by more than 80 \%. Preliminary analysis shows that the SF/ELP blend coatings are non-cytotoxic and support adhesion, growth and proliferation of fibroblast cells. The study therefore demonstrates that SF/ELP coatings have the potential to mitigate the risk of breast implant failure.

}, keywords = {Blood plasma, Crack resistance, Protein adsorption, Recombinant elastin, Silk fibroin}, doi = {10.1016/j.mtcomm.2022.104875}, author = {Joseph, Emmanuel and Kane, Kartiki and Parekh, Nimisha and Nisal, Anuya and Janorkar, V. Amol} } @article {47834, title = {Silver-catalyzed [3 + 3]-annulation cascade of alkynyl alcohols and α,β-unsaturated ketones for the regioselective assembly of chromanes}, journal = {Organic Chemistry Frontiers}, volume = {9}, year = {2022}, month = {JAN}, pages = {802-809}, type = {Article}, abstract = {An unprecedented Ag(i)-catalyzed [3 + 3]-annulation of alkynyl alcohols (5-hexyn-1-ols) and α,β-unsaturated ketones is reported to construct simple to complex chromanes. This transformation begins with hydroalkoxylation of alkynol through C{\textendash}C triple bond activation to give cyclic-enol ether, followed by intermolecular 1,4-addition and intramolecular 1,2-addition of enol ethers onto the enone and oxidative aromatization or Grob-type elimination steps. Facile reaction conditions, broad substrate scope, good to excellent yields, and atom economy are the salient features of this protocol. Isolation of the active pyran-tethered cyclohexadiene reaction intermediate, additional supporting experiments, and DFT calculations strongly support the experimental findings and corroborate our proposed mechanism.}, issn = {2052-4129}, doi = {10.1039/D1QO01643A}, author = {Nakate, Ashwini K. and Thorat, Sagar S. and Jain, Shailja and Rama Krishna, Gamidi and Vanka, Kumar and Kontham, Ravindar} } @article {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 {48168, title = {Statistical optimization of media for enhancing intracellular lipid content in Yarrowia lipolytica NCIM 3589 grown on waste cooking oil for biodiesel production}, journal = {Journal of the American Oil Chemists Society}, volume = {99}, year = {2022}, month = {OCT}, pages = {55-56}, type = {Meeting Abstract}, issn = {0003-021X}, author = {Jagtap, Shubhangi Ramling and RaviKumar, Ameeta and Raut, Gouri and Kumar, V. Ravi} } @article {47757, title = {Steroidal alkaloids defence metabolism and plant growth are modulated by the joint action of gibberellin and jasmonate signalling}, journal = {New Phytologist}, volume = {233}, year = {2022}, month = {FEB}, pages = {1220-1237}, type = {Article}, abstract = {Steroidal glycoalkaloids (SGAs) are protective metabolites constitutively produced by Solanaceae species. Genes and enzymes generating the vast structural diversity of SGAs have been largely identified. Yet, mechanisms of hormone pathways coordinating defence (jasmonate; JA) and growth (gibberellin; GA) controlling SGAs metabolism remain unclear. We used tomato to decipher the hormonal regulation of SGAs metabolism during growth vs defence tradeoff. This was performed by genetic and biochemical characterisation of different JA and GA pathways components, coupled with in vitro experiments to elucidate the crosstalk between these hormone pathways mediating SGAs metabolism. We discovered that reduced active JA results in decreased SGA production, while low levels of GA or its receptor led to elevated SGA accumulation. We showed that MYC1 and MYC2 transcription factors mediate the JA/GA crosstalk by transcriptional activation of SGA biosynthesis and GA catabolism genes. Furthermore, MYC1 and MYC2 transcriptionally regulate the GA signalling suppressor DELLA that by itself interferes in JA-mediated SGA control by modulating MYC activity through protein-protein interaction. Chemical and fungal pathogen treatments reinforced the concept of JA/GA crosstalk during SGA metabolism. These findings revealed the mechanism of JA/GA interplay in SGA biosynthesis to balance the cost of chemical defence with growth.}, keywords = {alpha-tomatine, defence, gibberellin (GA), growth, jasmonate (JA), steroidal glycoalkaloids (SGAs), Tomato}, issn = {0028-646X}, doi = {10.1111/nph.17845}, author = {Panda, Sayantan and Jozwiak, Adam and Sonawane, Prashant D. and Szymanski, Jedrzej and Kazachkova, Yana and Vainer, Andrii and Kilambi, Himabindu Vasuki and Almekias-Siegl, Efrat and Dikaya, Varvara and Bocobza, Samuel and Shohat, Hagai and Meir, Sagit and Wizler, Guy and Giri, Ashok P. and Schuurink, Robert and Weiss, David and Yasuor, Hagai and Kamble, Avinash and Aharoni, Asaph} } @article {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 {48055, title = {Subcritical water hydrolysis of N-acetyl-D-glucosamine: hydrolysis mechanism, reaction pathways and optimization for selective production of 5-HMF and levulinic acid}, journal = {Carbohydrate Research}, volume = {516}, year = {2022}, month = {JUN}, pages = {108560}, type = {Article}, abstract = {

In this study, the subcritical water hydrolysis of N-acetyl-D-glucosamine (NAG), a monomer of abundant renewable marine biopolymer chitin, for production of value-added chemicals is investigated. The enhanced ionization of water at subcritical conditions (200 degrees C; 50-100 bar), provides enough acidity for deacetylation of NAG resulting in 80\% yield of acetic acid along with traces of formic acid, lactic acid, glucose, fructose, 5hydroxymethylfurfural (5-HMF),etc. The significant humin formation indicates that the self-condensation and polymerisation of 5-HMF is favored in water at subcritical conditions. A catalyst p-toluenesulfonic acid (p-TsOH) was employed to selectively convert NAG to levulinic acid (LA) via ring opening of 5-HMF previously formed during hydrolysis. The maximum yield of 27.13 +/- 1\% and 53.46 +/- 1\% of 5-HMF and LA, respectively, was obtained at process conditions optimized using Box-Behnken design coupled with response surface methodology. Subcritical water enables greener conversion of NAG to platform chemicals wherein the selective production can be achieved by tuning the process conditions.

}, keywords = {5-Hydroxymethylfurfural, chitin, Glucosamine, levulinic acid, Response surface methodology, Subcritical water}, issn = {0008-6215}, doi = {10.1016/j.carres.2022.108560}, author = {Kulkarni, Sphurti Prakash and Dure, Shital N. and Joshi, Sunil S. and V. Pandare, Kiran and Mali, Nilesh A.} } @article {47824, title = {Surface alteration driven bi-functional catalytic activity of alkali niobate-N doped graphene composite for exalted oxygen electrochemistry}, journal = {Applied Surface Science}, volume = {580}, year = {2022}, month = {APR}, pages = {152160}, type = {Article}, abstract = {In this work, we establish that surface reconstruction, oxygen vacancies {\textemdash}specifically those located on the catalyst surface, and high crystallinity can be effective in tuning the catalytic activity of perovskite oxides. We report a high-performance electrocatalyst with an orthorhombic perovskite structure (NaNbO3), having an anisotropic surface layer and high crystallinity that exhibits superior activity and durability for the bi-functional oxygen electrochemistry compared to that of a similar perovskite composition with an isotropic surface layer and low crystallinity. The improvement in the electrocatalytic activity for oxygen evolution reaction (OER) and oxygen reduction reaction (ORR) is mainly attributed to the formation of an easy diffusion path on the surface layer due to the ionic movements, enhanced intrinsic activity of the catalytic sites resulting from the higher crystallinity, high oxygen vacancies and a large electrochemically active surface area. The sole key parameter in achieving all the acquired characteristics is the annealing temperature. We believe that the straightforward method of bringing the desired combination of properties by just tweaking the annealing temperature is handy and energy-efficient, and hence easily adoptable.}, keywords = {Bi-functionality, N-doped graphene, Oxygen Evolution Reaction, oxygen reduction reaction, perovskite, Surface reconstruction}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2021.152160}, author = {Suman Kumari Jhajharia and Shashaank Gupta and Zinoy Manappadan and Kaliaperumal Selvaraj and Myoor K. Padmanabhan and Roop L. Mahajan} } @article {48208, title = {Sustainable composite of SnFe2O4 conversion alloying anode for lithium-ion storage}, journal = {Sustainable Energy \& Fuels}, volume = {6}, year = {2022}, month = {AUG }, pages = {3806-3817}, type = {Article}, abstract = {

The development of high-performance, low-cost electrodes using sustainable materials for Li-ion batteries is of vital importance in view of their increasing demand for use in electronics and electric vehicles, as we transition from non-renewable energy resources. Challenges associated with commercial graphite anode materials include relatively low capacity, the use of high-temperature synthesis, Li dendrite formation, and limited rate capability. In this study, we present a tin ferrite SnFe2O4 (SFO) conversion alloying material (CAM), and its synergistic composite with a scalable and low-cost waste-derived carbon (WDC), which was prepared by low-temperature pyrolysis of a waste material sustainably. The combination of SFO with the WDC in the composite boosts the conductivity, diffusion kinetics, stability, and reversibility, and accommodates volume expansion upon cycling. The first charge capacity obtained for WDC, SFO, and SFO-WDC is 595, 1269, and 1331 mA h g(-1), respectively at 100 mA g(-1) in a Li-ion half-cell. In a full cell fabricated with LFP, a stable capacity of 80 mA h g(-1) at 100 mA g(-1) could be obtained, and the corresponding energy density for the SFO-WDCIILFP full cell is 300 W h kg(-1). Kinetic studies revealed that capacitance-controlled charge storage is dominant so the capacity was higher in the composite. This composite system addresses both the low capacity issue of the carbon anode and stability issues of CAMs while being compatible for use with current Li-ion battery technology.

}, issn = {2398-4902}, doi = {10.1039/d2se00919f}, author = {Yadav, Poonam and Parte, Golu and Malik, Wahid and Sabri, Ylias M. and Jones, Lathe A. and Shelke, V. Manjusha} } @article {48204, title = {Synthesis and characterization of partially biobased aromatic (Co)polycarbonates containing biphenylene units and pendant pentadecyl chains}, journal = {Macromolecular Chemistry and Physics}, volume = {223}, year = {2022}, month = {JUL}, pages = {2100449}, type = {Article}, abstract = {

2-Pentadecyl-[1,1{\textquoteright}{\textquoteright}-biphenyl]-4,4{\textquoteright}{\textquoteright}-diol (PBD) is synthesized starting from cashew nut shell liquid-a by-product of cashew processing industry. A new series of partially biobased aromatic (co)polycarbonates possessing biphenylene units and pendant pentadecyl chains is synthesized by solution polycondensation of PBD or varying compositions of PBD and bisphenol-A with triphosgene in dry dichloromethane. Inherent viscosities and number average molecular weights of (co)polycarbonates are in the range 0.51-1.24 dL g(-1) and 18 x 10(3)- 43.4 x 10(3) g mol(-1), respectively indicating the formation of reasonably high molecular weight polymers. Flexible, transparent, and free-standing films of (co)polycarbonates can be cast from chloroform solution. (Co)polycarbonates are characterized using Fourier transform infrared spectroscopy (FTIR), H-1 NMR, C-13 NMR spectroscopy, X-ray diffraction (XRD), differential scanning calorimetry, and thermogravimetric analysis. T-10 and T-g values of (co)polycarbonates are in the range 417-433 and 8-147 degrees C, respectively. It is demonstrated that the T-g values can be tuned by incorporation of appropriate mol\% of PBD as a comonomer in Bisphenol-A-based copolycarbonates. The lowering of the T-g values of (co)polycarbonates can be attributed primarily to the packing disruptive effect of flexible pentadecyl chains. Furthermore, the effect of incorporation of PBD as a comonomer on water contact angle values of (co)polycarbonates is evaluated.

}, keywords = {aromatic polycarbonates, biobased bisphenol, Cashew nut shell liquid, pentadecyl chain, Renewable resources}, issn = {1022-1352}, doi = {10.1002/macp.202100449}, author = {Ichake, Amol B. and Nagane, Samadhan S. and Jadhav, Uday A. and Torris, Arun and Grau, Etienne and Cramail, Henri and Wadgaonkar, Prakash P.} } @article {46623, title = {Synthesis of new thiazole and pyrazole clubbed 1,2,3-triazol derivatives as potential antimycobacterial and antibacterial agents}, journal = {Polycyclic Aromatic Compounds}, volume = {42}, year = {2022}, month = {JUL}, pages = {3216-3237}, type = {Article}, abstract = {

New series of 4-methyl-2-(4-substituted phenyl)-5-(4-((4-(4-substituted phenyl)-1H-1,2,3-triazol-1-yl)methyl)-1-phenyl-1H-pyrazol-3-yl)thiazole, 6a-t and 4-(1,3-diphenyl-1H-pyrazol-4-yl)-1-((1,3-diphenyl-1H-pyrazol-4-yl)methyl )-1H-1,2,3-triazole, 11a-o derivatives have been synthesized by applying copper-catalyzed [3 + 2] cycloaddition reaction. The newly synthesized 1,3-thiazolyl-pyrazolyl-1,2,3-triazole (6a-t) and bis-pyrazolyl-1,2,3-triazole (11a-o) derivatives were screened for in vitro antimycobacterial activity against M. Tuberculosis H37Ra dormant and active and antibacterial activity against four pathogenic bacteria, E. coli (NCIM 2576), P. flurescence (NCIM 2059), S. aureus (NCIM 2602) and B. subtilis (NCIM 2162). Compounds 6a, 6f, 6j, 11e and 11m showed good activity against M tuberculosis H37Ra Active strain, also compounds 6g, 6h, 11f, 11n and 11o showed good activity against M tuberculosis H37Ra Dormant strain. Compounds 6b, 6i, 6l, 6o, 6r, 11k, 11l and 11m showed good activity against B. subtilis with IC50 1.99-2.96 mu g/mL. The antibacterial activity of thiazolyl-pyrazolyl-1,2,3-triazole and bis-pyrazolyl-1,2,3-triazole derivatives suggested that, these derivatives could lead to new compounds for treatment against bacterial infection.

}, keywords = {123-Triazole, antibacterial activity, antimycobacterial activity, Pyrazole, Thiazole}, issn = {1040-6638}, doi = {10.1080/10406638.2020.1857272}, author = {Jagadale, Shivaji M. and Abhale, Yogita K. and Pawar, Hari R. and Shinde, Abhijit and Bobade, Vivek D. and Chavan, Abhijit P. and Sarkar, Dhiman and Mhaske, Pravin C.} } @article {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 {47894, title = {Thermal and crystallization behaviour of polyphenylene sulfide in engineering polymer blends with HDPE}, journal = {International Polymer Processing}, volume = {2}, year = {2022}, month = {FEB }, pages = {53-58}, type = {Article}, abstract = {

The thermal and crystallization behaviour of polyphenylene sulfide (PPS) in its blends with high density polyethylene (HDPE) is reported. Three grades of HDPE ranging in MFI from 0.4 to 52 were used in the investigation. The effect of composition and molecular weight of HDPE on the crystallization process and morphology of PPS in the blends has been investigated by the technique of Differential Scanning Calorimetry (DSC). In the blends, PPS crystallizes in presence of molten HDPE. It is observed that the morphology of PPS in terms of crystallite size and crystallite size distribution in the blends is significantly affected by blending with HDPE. The temperature onset of melting was found to increase with increasing HDPE content and the melting peak width was found to decrease with increasing HDPE content. This indicates a larger crystallite size and a narrower crystallite size distribution of PPS in blends. The effect is more pronounced in HDPE-rich compositions. The extent of the variation in the temperature onset of melting and peak width were comparable for all the grades of HDPE. The degree of crystallinity of PPS in the blends is reduced significantly (55-70\%) in HDPE-rich blends. Therefore, it is concluded that the crystallization of PPS is affected by the presence of HDPE melt. The crystallization scans of PPS in the blends, obtained in the cooling mode, did not show any evidence of accelerated nucleation. On the other hand, a marginal reduction in the temperature onset of crystallization was observed. The temperature range of crystallization of PPS in the blends was found to be less for all compositions except for 90/10 (PPS/HDPE). In summary it is concluded that blending of HDPE with PPS influences the crystal growth of PPS significantly although the effect on its homogeneous nucleation is also considerable. As a result, the morphology of PPS crystallized in blends is different from that of the homopolymer. The changes in the morphology of PPS are not sensitive to the molecular weight of HDPE probably because of the high temperature of PPS crystallization relative to the melting point of HDPE.

}, issn = {0930-777X}, doi = {10.1515/ipp-1987-0019}, author = {Nadkarni, V. M. and Shingankuli, V. L. and Jog, J. P.} } @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 {48230, title = {Transcriptional and translational perturbation in abiotic stress induced physiological activities and metabolic pathway networks in spongy tissue disorder of mango fruit}, journal = {Postharvest Biology and Technology}, volume = {188}, year = {2022}, month = {JUN}, pages = {111880}, type = {Article}, abstract = {

Spongy tissue formation is economically the most detrimental but agriculturally less focused physiological disorder in mango. {\textquoteleft}Alphonso{\textquoteright} cultivar is highly prone to oxidative stress induced spongy tissue disorder impacting biochemical and metabolic profile, thereby affecting pulp quality and nutritional value of the fruit. In the present study, comparative analysis of spongy and healthy mesocarp tissues of {\textquoteleft}Alphonso{\textquoteright} mango by transcriptomics using Illumina sequencing and proteomics using LC-MS approaches, respectively identified and quantified many genes and proteins in the metabolic pathways responsible for the spongy tissue development. The table green and the mid ripe stages of {\textquoteleft}Alphonso{\textquoteright} fruit ripening were evaluated by the transcriptomic study and outcomes were validated using proteomic investigations for all the four ripening stages. Colossal amount of data including 30,582 transcripts, 10,800 gene ontologies and 387 putative proteins was generated from this analysis. Current multi-omics exploration revealed the development of abiotic stress (mainly oxidative stress) induced perturbations in various metabolic pathways and their interconnections, leading to the spongy tissue formation in mango. This further unfolded the altered cell wall degradation, ethylene and flavonoid biosynthesis, fruit ripening and flavor formation, thus hampering the fruit specific characteristics in mango with spongy tissue disorder.

}, keywords = {Oxidative stress, Proteome, spongy tissue disorder, Transcriptome, {\textquoteleft} Alphonso {\textquoteleft} mango}, issn = {0925-5214}, doi = {10.1016/j.postharvbio.2022.111880}, author = {Oak, Pranjali and Jha, Vineet and Deshpande, Ashish and Tanpure, Rahul and Dawkar, Vishal and Mundhe, Swapnil and Ghuge, Sandeep and Prabhudesai, Shrikant and Krishanpal, Anamika and Jere, Abhay and Giri, Ashok and Gupta, Vidya} } @article {48436, title = {Viscoelastic liquid from regenerated silk fibroin in the silk i conformation: a writeable and shapeable material}, journal = {ACS Applied Polymer Materials}, volume = {4}, year = {2022}, month = {JUN}, pages = {4699{\textendash}4708}, type = {Article}, abstract = {

Regenerated silk fibroin (RSF) has acquired enormous attention because of its exceptional toughness, strength, and biocompatible nature. These properties make RSF a potential candidate for the fabrication of different types of materials. However, processing even a dilute aqueous solution of RSF leads to a conformational transformation from a random coil/helix-rich (silk I) to a beta-sheetrich (silk II) state. As a consequence, RSF tends to form aggregates and loses its toughness. Working in a direction to address this problem, an aqueous solution of regenerated silk fibroin has been modified with a dual layer of polyethylenimine (PEI) and a PEG-based polymer surfactant (PS). Upon freeze-drying, the RSF-polymer complex forms a solvent-free RSF bioconjugate system and exhibits a soft solid to liquid melting transition at similar to 45 degrees C. The sequential modification with PEI and PS preserves the native-like random coil conformation of RSF up to at least 8 months of storage by not allowing interchain interactions that can lead to aggregation. Rheological and small-angle X-ray scattering measurements show that the solvent-free system is viscoelastic and exhibits a higher order microstructure mediated by the packing of the PS chains, respectively. Temperature-dependent soft solid-liquid-like dual behavior offers applications in injection-based writing, compression molding, and shaping RSF bioconjugates into various types of geometries. Furthermore, the mechanical properties of the RSF bioconjugate system can be modulated by crosslinking with glutaraldehyde vapor at 50 degrees C.

}, keywords = {RSF liquid, RSF soft solid, silk I conformation, silk liquid, viscoelastic}, issn = {2637-6105}, doi = {10.1021/acsapm.2c00290}, author = {Kumar, Raj and Joseph, Emmanuel and Chaudhari, Atul and Nisal, Anuya and Sharma, Kamendra P.} } @article {48140, title = {Wearable fabric supercapacitors based on CNTs and polyhedral ZnO with a wide potential window}, journal = {International Journal of Energy Research}, volume = {46}, year = {2022}, month = {MAY}, pages = {8186-8200}, type = {Article}, abstract = {

Wearable electronic devices such as health monitors, sensors, and e-skin can be powered by lightweight, high-power supercapacitors. Using a binder-free and low-temperature hydrothermal method, polyhedral ZnO nanoparticles were grown on carbon nanotube (CNT)-decorated cotton fabric, which is friendly to human skin and highly wearable, inexpensive, and thus commercially viable. The concentration of the starting material, zinc acetate, was varied to optimize the electrochemical performance. The evenly spaced polyhedral ZnO facilitated efficient permeation of the electrolyte into the active material. The fabric filaments were decorated with CNTs to enhance electron transfer and the overall electrochemical processes. The symmetric cell comprised of cotton fabric decorated with ZnO polyhedron/CNT showed no discernible change in the cyclic voltammetry curves even after 500 bending cycles, demonstrating the mechanical durability of the electrode. The potential window of 1.6 V using a Na2SO4/K2SO4 aqueous dual-ion electrolyte improved the long-term electrochemical stability and increased the energy storage capacity. The capacitance retention was 94\% after 5000 cycles at a current density of 1 A center dot g(-1), indicating long-term electrochemical stability. A specific capacitance of 375 F center dot g(-1) at a current density of 5 A center dot g(-1) and energy density of 33.3 Wh center dot kg(-1) at a power density of 2000 W center dot kg(-1) were recorded for the optimized electrode. Highlights Polyhedral ZnO was grown on cotton fabric using a hydrothermal process. The electrochemical performance was optimized by varying the zinc acetate concentration. The highest specific capacitance was 375 F center dot g(-1) at a current density of 5 A center dot g(-1). Under optimal conditions, the capacitance retention was 94\% at N = 5000 cycles. The energy density of the electrode was as high as 33.3 Wh center dot kg(-1).

}, keywords = {carbon nanotube, Cotton fabric, hydrothermal process, wearable supercapacitor, ZnO polyhedron}, issn = {0363-907X}, doi = {10.1002/er.7720}, author = {Samuel, Edmund and Joshi, Bhavana and Park, Chanwoo and Aldalbahi, Ali and El-Newehy, Mohamed and Lee, Hae-Seok and Yoon, Sam S.} } @article {48032, title = {Well-defined calcium compound catalyzes trimerization of arylisocyanates into 1,3,5-triarylisocyanurates}, journal = {ChemCatChem}, volume = {14}, year = {2022}, month = {JUN }, pages = {e202101788}, type = {Article}, abstract = {

We report the synthesis of a calcium complex (2) bearing a tetradentate monoanionic ligand with a diaminoethane core and phenolate and pyridine peripheral donors. Single crystal X-ray studies on 2 revealed that LiI was also co-crystallized, leading to a four-membered ring with four different elements. 2 was found to be an efficient catalyst for the cyclotrimerization of a variety of aromatic isocyanates under mild conditions.

}, keywords = {calcium, Cyclotrimerization, Isocyanurates, Tetradentate ligand}, issn = {1867-3880}, doi = {10.1002/cctc.202101788}, author = {Kumar, Rohit and Sharma, Vishal and Jain, Shailja and Sharma, Himanshu and Vanka, Kumar and Sen, Sakya S.} } @article {48993, title = {Antimalarial activity of anacardium occidentale leaf extracts against plasmodium falciparum transketolase (PfTK)}, journal = {Acta Parasitologica}, volume = {68}, year = {2023}, month = {DEC}, pages = {832-841}, type = {Article}, abstract = {

BackgroundAs per estimates by WHO in 2021 almost half of the world{\textquoteright}s population was at risk of malaria and \> 0.6 million deaths were attributed to malaria. Therefore, the present study was aimed to explore the antimalarial activity of extracts derived from the leaves of the plant Anacardium occidentale L., which has been used traditionally for the treatment of malaria. Different extracts of A.occidentale leaves were prepared and tested for their inhibitory activity against recombinant P. falciparum transketolase (rPfTK) enzyme, in vitro. Further, growth inhibitory activity against cultivated blood stage P. falciparum parasites (3D7 strain), was studied using SYBR Green fluorescence-based in vitro assays. Acute toxicity of the hydro alcoholic extracts of leaves of A. occidentale (HELA) at different concentrations was evaluated on mice and Zebra fish embryos. HELA showed 75.45 +/- 0.35\% inhibitory activity against the recombinant PfTk and 99.31 +/- 0.08\% growth inhibition against intra-erythrocytic stages of P. falciparum at the maximum concentration (50 mu g/ml) with IC50 of 4.17 +/- 0.22 mu g/ml. The toxicity test results showed that the heartbeat, somite formation, tail detachment and hatching of embryos were not affected when Zebra fish embryos were treated with 0.1 to 10 mu g/ml of the extract. However, at higher concentrations of the extract, at 48 h (1000 mu g/ml) and 96 h (100 mu g/ml and 1000 mu g/ml, respectively) there was no heartbeat in the fish embryos. In the acute oral toxicity tests performed on mice, the extract showed no toxicity up to 300 mg/kg body weight in mice.ConclusionThe hydro-alcoholic extract of leaves of A. occidentale L. showed potent antimalarial activity against blood stage P. falciparum. Based on the observed inhibitory activity on the transketolase enzyme of P. falciparum it is likely that this enzyme is the target for the development of bioactive molecules present in the plant extracts. The promising anti-malarial activity of purified compounds from leaves of A. occidentale needs to be further explored for development of new anti-malarial therapy.

}, keywords = {Anacardium occidentale L, Antimalarial activity, malaria, Plasmodium falciparum, Transketolase}, issn = {1230-2821}, doi = {10.1007/s11686-023-00718-6}, author = {Kaushik, Meenakshi and Hoti, Sugeerappa L. and Saxena, Jitendra Kumar and Hingamire, Tejashri and Shanmugam, Dhanasekaran and Joshi, Rajesh K. and Metgud, Sharada C. and Ungar, Banappa and Singh, Ishwar and Hegde, Harsha V.} } @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 {48704, title = {Baby step in assembling and integrating the components of an artificial photosynthesis device with forced heterojunctions towards improved efficiency}, journal = {Journal of Materials Chemistry A}, volume = {11}, year = {2023}, month = {JUL }, pages = {15168-15182}, type = {Article}, abstract = {

How to achieve unassisted, economical, scalable, and sustainable artificial photosynthesis for liquid fuels/products with improved solar-to-fuel efficiency (STFE) to address a carbon-neutral economy remains a big question. To a large degree, the extent of charge separation at heterojunction interfaces and charge utilization determine the STFE. Towards this, BiVO3 is assembled from ionic-precursors into TiO2 pores, and integrated structurally and electronically with TiO2 on calcination as BiVO4 quantum dots (BVQDs). BVQDs in TiO2 (BVT) pores lead to an all-inorganic system with a sub-quadrillion number of heterojunctions in a 1 cm(2) device (contains similar to 25 mu g of BiVO4 (similar to 2.5 wt\%) in the nanopores of similar to 975 mu g of TiO2 (similar to 97.5 wt\%)) and facilitate artificial photosynthesis. We demonstrate 31-38\% STFE with a photon to chemical conversion turn over frequency (ToF(P2C)) of 2.73 s(-1) with a 1 cm(2) wireless BiVO4-TiO2 artificial leaf (BVT-AL) device for HCHO and CH3OH. The sequential nature of CO2 reduction to HCHO and then to CH3OH is evident from the reaction results. (CO2)-C-13 isotopic labeling experiments confirm that the input CO2 is the source for product formation. A large increase in the photocurrent density and incident photon-to-current efficiency (IPCE) of BVT, over 100\% for the BiVO4 photoanode in visible light, demonstrates and supports efficient visible light absorption, charge separation and migration to the redox sites. A device has been demonstrated to show sustainable activity in direct sunlight, and addresses scalability from 1 to 9 cm(2). Assuming no change (50\% decrease) in the STFE, a 6.74 m(2) device is expected to convert 1 (0.5) kg h(-1) CO2 into C1-oxygenates in sunlight. DFT calculations carried out with anatase TiO2 (101) and BiVO4 (121) interfaces support many of the experimental findings, including electron flow from the latter to the former, and interaction of the oxygen of TiO2 with BiVO4 and vice versa at the interface towards forced heterojunctions.

}, issn = {2050-7488}, doi = {10.1039/d3ta01850d}, author = {Salgaonkar, Kranti N. and Bajpai, Himanshu and Mhamane, Nitin B. and Nalajala, Naresh and Chauhan, Inderjeet and Thakkar, Kavita and Joshi, Kavita and Gopinath, Chinnakonda S.} } @article {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 {48749, title = {Biosynthesis of gold nanoparticles by Penicillium rubens and catalytic detoxification of ochratoxin A and organic dye pollutants}, journal = {International Microbiology}, volume = {26}, year = {2023}, month = {NOV}, pages = {765-780}, type = {Article}, abstract = {

The environmental pollution caused by chemical dyes is a growing concern nowadays. Limitations of traditional methods opened the route for nanotechnology; owing to the versatile properties of nanomaterials, gold nanoparticles (AuNPs) became a potential strategy for different applications. In the present study, biosynthesis of gold nanoparticles (BioAuNPs) was carried out by reacting chloroauric acid (HAuCl4) with cell-free filtrate of Penicillium rubens sp. nov. NCIM 1937. The AuNPs were then characterized by UV-visible spectroscopy, HR-TEM, FTIR, and DLS analysis to further examine their efficacious biosynthesis and morphological properties including size, shape, and stability. The biogenic AuNPs are polydisperse in nature, with a mean size of 14.92 +/- 5 nm. These AuNPs exhibited promising antimicrobial activity against Escherichia coli NCIM-2065, Bacillus subtilis NCIM-2010, and Penicillium verrucosum MTCC 4935. In vitro quantitative HPLC results revealed that BioAuNPs significantly inhibited the biosynthesis of ochratoxin A (OTA). Microbial fuel cells (MFCs) are intriguing for power generation and wastewater treatment since they can directly transform chemical energy stored in organic matter to electricity by extracellular electron transfer (EET) via membrane proteins. AuNPs also showed excellent potential for dye degradation of organic pollutants, viz., methylene blue (MB), phenol red (PR), bromothymol blue (BTB), Congo red (CR), and 4-nitrophenol (4-NP). All dye removal efficiencies were estimated and fitted to pseudo-first-order processes using kinetic rate constants (Ka).The present study reveals a simple, original, and eco-friendly method for the synthesis of multifunctional biogenic AuNPs that could be effective in OTA detoxification in food products and organic pollutant removal during wastewater treatment for a sustainable environment.

}, keywords = {Catalytic organic dye degradation, gold nanoparticles, Ochratoxin A, Penicillium rubens, Penicillium verrucosum}, issn = {1139-6709}, doi = {10.1007/s10123-023-00341-5}, author = {Bhandari, Yogesh and Varma, Sanjana and Sawant, Amol and Beemagani, Sreelatha and Jaiswal, Neha and Chaudhari, Bhushan P. and Vamkudoth, Koteswara Rao} } @article {48696, title = {Co3O4 for sustainable CO2 reduction and possible fine-tuning towards selective CO production}, journal = {Chemical Engineering Journal}, volume = {471}, year = {2023}, month = {SEP}, pages = {144459}, type = {Article}, abstract = {

Two main challenges involved in heterogeneous catalytic CO2 reduction are: (a) decreasing the consumption of H2 to the minimum required level with possibly the maximum CO2 conversion, and (b) concurrently enhancing the selectivity of the desired CO, at the cost of methane. Towards meeting these two challenges, Co3O4 spinel has been identified as a potential catalyst and it exhibits predominant CO selectivity \> 673 K at atmospheric pressure. CO2 conversion begins \> 523 K, with 100\% CO selectivity observed \> 673 K with CO2:H2 = 3:2. Current work shows a sustainable catalytic CO2 conversion to 100\% CO selectivity with Co3O4-Nanocube (NC). Critically, CO selectivity and yield is observed to increase at the cost of methane with smaller amount of H2. 1:1 and 3:2 CO2:H2 ratio exhibits 88-100\% CO selectivity with 24-32.5\% CO2 conversion between 623 and 823 K. Irrespective of the input CO2:H2, ratio of CO2:H2 uptake changes from around 1:3 at 523 K to 1:1-1.5 at 823 K with concurrent production of significant methane to predominant CO, respectively. Surface electronic state changes was explored by near ambient pressure photoelectron spectroscopy, and the results suggests that Co3O4 is the active phase that promotes CO2 reduction selectively to CO. Broadening observed with the vibrational feature of the CO2 molecules at high temperature underscores the heterogeneous character of the catalyst surface, under operating conditions, due to changing electron density. By optimizing the gas hourly space velocity (GHSV), H2-lean CO2:H2 ratio, and the reaction temperature/pressure, 100\% CO selectivity could be broadened to a range of operating conditions.

}, keywords = {Carbon neutral economy, heterogeneous catalysis, RWGS, SDG, Surface Science}, issn = {1385-8947}, doi = {10.1016/j.cej.2023.144459}, author = {Ranjan, Ravi and Tekawadia, Jyoti and Jain, Ruchi and Mhamane, Nitin B. and Raja, Thirumalaiswamy and Gopinath, Chinnakonda S.} } @article {48795, title = {COF-supported zirconium oxyhydroxide as a versatile heterogeneous catalyst for Knoevenagel condensation and nerve agent hydrolysis}, journal = {iScience}, volume = {26}, year = {2023}, month = {NOV}, pages = {108088}, type = {Article}, abstract = {

A composite of catalytic Lewis acidic zirconium oxyhydroxides (8 wt \%) and a covalent organic framework (COF) was synthesized. X-ray diffraction and infrared (IR) spectroscopy reveal that COF{\textquoteright}s structure is pre-served after loading with zirconium oxyhydroxides. Electron microscopy confirms a homogeneous distri-bution of nano-to sub-micron-sized zirconium clusters in the COF. 3D X-ray tomography captures the micron-sized channels connecting the well-dispersed zirconium clusters on the COF. The crystalline ZrOx(OH)(y)@COF{\textquoteright}s nanostructure was model-optimized via simulated annealing methods. Using 0.8 mol \% of the catalyst yielded a turnover number of 100-120 and a turnover frequency of 160-360 h(-1) for Knoevenagel condensation in aqueous medium. Additionally, 2.2 mol \% of catalyst catalyzes the hy-drolysis of dimethyl nitrophenyl phosphate, a simulant of nerve agent Soman, with a conversion rate of 37\% in 180 min. The hydrolytic detoxification of the live agent Soman is also achieved. Our study unveils COF-stabilized ZrOx(OH)(y) as a new class of zirconium-based Lewis + Bronsted-acid catalysts.

}, doi = {10.1016/j.isci.2023.108088}, author = {Shekhar, Pragalbh and Devulapalli, Venkata Swaroopa Datta and Reji, Reshma and Singh, Himan Dev and Jose, Aleena and Singh, Piyush and Torris, Arun and Vinod, Chatakudath P. and Tokarz III, John A. and Mahle, John J. and Peterson, Gregory W. and Borguet, Eric and Vaidhyanathan, Ramanathan} } @article {48319, title = {Comprehensive molecular and clinical investigation of approved Anti-HCV drugs repurposing against SARS-CoV-2 infection: a glaring gap between benchside and bedside medicine}, journal = {Vaccines}, volume = {11}, year = {2023}, month = {MAR}, pages = {515}, type = {Article}, abstract = {

The limited availability of effective treatment against SARS-CoV-2 infection is a major challenge in managing COVID-19. This scenario has augmented the need for repurposing anti-virals for COVID-19 mitigation. In this report, the anti-SARS-CoV-2 potential of anti-HCV drugs such as daclatasvir (DCV) or ledipasvir (LDP) in combination with sofosbuvir (SOF) was evaluated. The binding mode and higher affinity of these molecules with RNA-dependent-RNA-polymerase of SARS-CoV-2 were apparent by computational analysis. In vitro anti-SARS-CoV-2 activity depicted that SOF/DCV and SOF/LDP combination has IC50 of 1.8 and 2.0 mu M, respectively, comparable to remdesivir, an approved drug for COVID-19. Furthermore, the clinical trial was conducted in 183 mild COVID-19 patients for 14 days to check the efficacy and safety of SOF/DCV and SOF/LDP compared to standard of care (SOC) in a parallel-group, hybrid, individually randomized, controlled clinical study. The primary outcomes of the study suggested no significant difference in negativity after 3, 7 and 14 days in both treatments. None of the patients displayed any worsening in the disease severity, and no mortality was observed in the study. Although, the post hoc exploratory analysis indicated significant normalization of the pulse rate showed in SOF/DCV and SOF/LDP treatment vs. SOC. The current study highlights the limitations of bench side models in predicting the clinical efficacy of drugs that are planned for repurposing.

}, keywords = {antiviral, COVID-19, daclatasvir, ledipasvir, SARS-CoV-2, sofosbuvir}, doi = {10.3390/vaccines11030515}, author = {Bansode, Sneha and Singh, Pawan Kumar and Tellis, Meenakshi and Chugh, Anita and Deshmukh, Narendra and Gupta, Mahesh and Verma, Savita and Giri, Ashok and Kulkarni, Mahesh and Joshi, Rakesh and Chaudhary, Dhruva} } @article {47596, title = {Comprehensive review on catalytic O-alkylation of phenol and hydroquinone}, journal = {Catalysis Reviews-Science and Engineering}, volume = {65}, year = {2023}, month = {APR}, pages = {455-500}, type = {Review}, abstract = {

The alkylation process involves two competitive paths of O- and C-alkylation and achieving better selectivity for desired products is a very challenging problem. The development of new process for synthesis of O-methylated products of phenol and dihydric phenols is a subject of high industrial and academic interest. Alkyl phenyl ethers, especially anisole and 4-methoxyphenol, have captivated significant interest due to their increasing applications in pharmaceutical industries. The main emphasis of the present review is to explore the recent development in two catalytic O-alkylation processes. The first process is O-methylation of phenol into anisole and another is selective mono O-methylation of hydroquinone into 4-methoxyphenol. The present article covers O-alkylation methods with methanol and dimethyl carbonate as alkylating agent over various acidic and basic catalytic systems. The catalyst systems analyzed involves Bronsted and Lewis acidic and basic ionic liquids, conventional acids, metal oxides, solid acid and basic catalysts, hydrotalcites, various zeolites and heteropolyacids. The mechanistic behavior of alkylation reactions in presence of different catalytic system is reviewed critically which is important to design new and/or modified catalyst in order to maximize the yield of desired product. Additionally, an influence of reaction parameters, role of catalyst and their active sites on product distribution is described. The review paper gives useful insight for researchers in the field of catalysis and reaction engineering of alkylation reactions. Understandings of the reaction pathways will help in developing reliable kinetic models necessary for process scale-up to industrial scale reactor system.

}, keywords = {Dimethyl carbonate, Hydroquinone, Methanol, O-alkylation, phenol}, issn = {0161-4940}, doi = {10.1080/01614940.2021.1930490}, author = {Bhongale, Priyanka and Joshi, Sunil and Mali, Nilesh} } @article {48985, title = {Comprehensive study on solomonamides: total synthesis, stereochemical revision, and SAR studies toward identification of simplified lead}, journal = {Journal of Organic Chemistry}, volume = {88}, year = {2023}, month = {DEC }, pages = {17088-17133}, type = {Article}, abstract = {

Solomonamides, a pair of macrocyclic peptide natural products originating from marine sources, have garnered significant attention within the synthetic community owing to their marked anti-inflammatory efficacy and intricate molecular architectures. In this paper, we present a very detailed investigation into solomonamides, including the challenges associated with the total synthesis, the evolution of our synthetic strategies, structural reassignment, synthesis of all possible stereoisomeric macrocycles, biological assessment, structure-activity relationship (SAR) studies, etc. Within the ambit of this total synthesis, diverse strategies for macrocyclization were rigorously explored, encompassing the Friedel-Crafts acylation, cyclization involving the aniline NH2 moiety, macrolactamization utilizing Gly-NH2, and Heck macrocyclization methodologies. In addition, an array of intriguing chemical transformations were devised, including but not limited to photo-Fries rearrangement, Wacker oxidation, ligand-free Heck macrocyclization, oxidative cleavage of indole, synthesis of contiguous stereocenters via substrate/reagent-controlled protocols, and simultaneous making and breaking of olefinic moieties. The findings of this investigation revealed a structurally simplified lead compound. Remarkably, the lead compound, while possessing structural simplification in comparison to the intricate solomonamide counterparts, demonstrates equipotent in vivo anti-inflammatory efficacy.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.3c01987}, author = {Jachak, Gorakhnath R. and Kashinath, K. and Vasudevan, N. and Athawale, Paresh R. and Choudhury, Rahul and Dange, Santoshkumar S. and Agarwal, Heena and Barthwal, Manoj Kumar and Reddy, D. Srinivasa} } @article {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 {48299, title = {D-A-D-based unsymmetrical thiosquaraine dye for the dye-sensitized solar cells(dagger)}, journal = {Photochemistry and Photobiology}, volume = {99}, year = {2023}, month = {MAR}, pages = {529-537}, type = {Article}, abstract = {

In dye-sensitized solar cell, modulating the electronic properties of the sensitizer by varying the donor, pi-spacer, acceptor and anchoring groups help optimizing the structure of the dye for better device performance. Here, a donor-acceptor-donor-based unsymmetrical thiosquaraine sensitizer (SQ5S) has been designed and synthesized. Photophysical, electrochemical, theoretical and photovoltaic characterizations of SQ5S dye have been compared with its oxygen analog, SQ5. The incorporation of the sulfur atom in the acceptor unit of SQ5S dye showed an intense peak at 688 nm, which was 38 nm of red-shifted and showed the panchromatic light harvesting response with the onset of 850 nm compared with SQ5 dye. The LUMO and HOMO energy levels are well aligned with the conduction band of TiO2 and the redox potential of electrolyte for the charge injection and the dye-regeneration processes, respectively. Photovoltaic efficiency of 1.51\% (V-OC 610 mV, J(SC) 3.07 mA cm(-2), ff 81\%) has been achieved for SQ5S dye, whereas SQ5 showed the device performance of 5.43\% (V-OC 723 mV, J(SC) 9.3 mA cm(-2), ff 80\%). The decreased device performance for the dye SQ5S has been attributed to the favorable intersystem crossing process associated with the photoexcited SQ5S that reduces the driving force for the charge injection process.

}, issn = {0031-8655}, doi = {10.1111/php.13769}, author = {Jadhav, Avinash P. and Singh, Ambarish Kumar and Maibam, Ashakiran and Krishnamurty, Sailaja and Krishnamoorthy, Kothandam and Nithyanandhan, Jayaraj} } @article {48303, title = {Design and synthesis of photocrosslinker and light blocker based on L-Amino acid polyester and their application in solvent-free resin formulation for DLP/SLA 3D printing}, journal = {Polymers}, volume = {270}, year = {2023}, month = {MAR }, pages = {125781}, type = {Article}, abstract = {

Customising material design for new technological applications like additive manufacturing (AM) is a challenging yet promising approach to create a palette of materials suitable for developing eco-friendly products. LGlutamic acid and L-aspartic acid based aliphatic, photocurable polyester crosslinkers were designed and developed and incorporated into a solvent-free photocurable resin formulation with hydroxyl (ethyl)methacrylate (HEMA). Proof-of-concept 3D printing of clear and transparent objects was demonstrated using digital light processing (DLP) and Stereolithography (SLA) techniques. Resolution of the 3D printed objects could be improved by incorporating a Dansyl labelled L-glutamic acid polyester, which not only aided in modulating the viscosity of the resin formulation but could also function as a light blocker, thereby avoiding polymerization of unwanted areas while 3D printing. The curing kinetics of the photocurable formulation was analyzed using photo differential Scanning Calorimetry. Enzymatic degradability studies of 3D printed films were undertaken in PBS buffer containing esterase enzyme and compared with 3D printed samples using HEMA and a commercial crosslinker (Trimethylolpropane triacrylate (TMPTA)). Scanning electron microscopy (SEM) was used to evaluate the morphology of the 3D printed films before and after enzymatic degradation in the PBS buffer for 60 days. The 3D printed amino acid crosslinked films of HEMA presented high degree of degradation in contrast to the near total absence of any degradation in the 3D printed film crosslinked using TMPTA. The availability of new photocurable formulations that are enzymatically degradable are highly sought after for 3D printing applications.

}, keywords = {3D printing, Crosslinker, L -Amino acid Polyester, Light blocker, Photocurable}, issn = {0032-3861}, doi = {10.1016/j.polymer.2023.125781}, author = {Kamble, Ganesh N. and Joshi, Dheeraj Chandra and Asha, S. K.} } @article {48715, title = {Developing a feeding assay system for evaluating the insecticidal effect of phytochemicals on Helicoverpa armigera}, journal = {Jove-Journal of Visualized Experiments}, volume = {195}, year = {2023}, month = {MAY}, pages = {e65278}, type = {Article}, abstract = {

Helicoverpa armigera, a lepidopteran insect, is a polyphagous pest with a worldwide distribution. This herbivorous insect is a threat to plants and agricultural productivity. In response, plants produce several phytochemicals that negatively impact the insect{\textquoteright}s growth and survival. This protocol demonstrates an obligate feeding assay method to evaluate the effect of a phytochemical (quercetin) on insect growth, development, and survival. Under controlled conditions, the neonates were maintained until the second instar on a pre-defined artificial diet. These second-instar larvae were allowed to feed on a control and quercetin-containing artificial diet for 10 days. The insects{\textquoteright} body weight, developmental stage, frass weight, and mortality were recorded on alternate days. The change in body weight, the difference in feeding pattern, and developmental phenotypes were evaluated throughout the assay time. The described obligatory feeding assay simulates a natural mode of ingestion and can be scaled up to a large number of insects. It permits one to analyze phytochemicals{\textquoteright} effect on the growth dynamics, developmental transition, and overall fitness of H. armigera. Furthermore, this setup can also be utilized to evaluate alterations in nutritional parameters and digestive physiology processes. This article provides a detailed methodology for feeding assay systems, which may have applications in toxicological studies, insecticidal molecule screening, and understanding chemical effects in plant-insect interactions.

}, issn = {1940-087X}, doi = {10.3791/65278}, author = {Mohite, Sharada D. and Patil, Yogita P. and Nichit, Vikram J. and Joshi, Rakesh S.} } @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 {48301, title = {Dual routes toward observation of a trans-H2/hydride complex in an iridium pincer system and hydrogenation catalytic activity}, journal = {Organometallics}, volume = {42}, year = {2023}, month = {MAR}, pages = {441-456}, type = {Article}, abstract = {

The Abstraction of chloride from a six- coordinate complex, trans-[ Ir(H)(Cl)((iPr)4)(POCOP)(PPh3)] (1) [((iPr)4)(POCOP) = 2,6-bis(di-iso-propylphosphinito)benzene,kappa(3)-C6H3-1,3-[OP(Pr-i)(2 )](2)], using NaBAr4f leads to the generation of a dinitrogen complex, trans-[Ir(H)(N-2)((iPr)4)(POCOP)(PPh3)][BAr4f] (6). Addition of H-2 to [Ir(H)(N-2)((iPr)4)(POCOP)(PPh3)](+) (6) under extremely mild conditions (1 bar, 298 K) resulted in the reversible coordination of H-2 to generate the cis-[Ir(H)(eta H-2-(2))((iPr)4)(POCOP)(PPh3)](+) (cis-11) complex. The cis-[Ir(H)(eta(2)-H-2)((iPr)4)(POCOP)(PPh3)](+) complex (cis-11) isomerized to a trans isomer, trans-[Ir(H)(eta(2)-H-2)((iPr)4)(POCOP)(PPh3)](+) (trans-11), at 253 K. The isomerization process has been studied and supported by computations. Employing an alternative route, protonation of the trans-[Ir(H)(2)((iPr)4)(POCOP)(PPh3)] complex (2) at 183 K resulted in the formation of an identical, trans-[Ir(H)(eta(2)-H-2)((iPr)4)(POCOP)(PPh3)](+) complex (trans-11); upon warming the sample, the trans-H-2/hydride complex isomerized to the cis isomer above 253 K. Two independent routes to obtain trans-[Ir(H)(eta(2)-H-2)((iPr)4)(POCOP)(PPh3)](+) (trans-11) species have been established. Reaction of trans-[Ir(H)(N-2)((iPr)4)(POCOP)(PPh3)][BAr4f] (6) with C2H4 gave the cis-[Ir(H)(eta(2)-C2H4)((iPr)4)(POCOP)(PPh3)](+) complex (cis-15), which also undergoes isomerization to yield an equilibrium mixture of cis/trans-[Ir(H)(eta(2)-C2H4)((iPr)4)(POCOP)(PPh3)](+) complexes (cis-15 and trans-15) at 253 K. The trans-[Ir(H)(N-2)((iPr)4)(POCOP)(PPh3)](+) complex (6) is an excellent catalyst for hydrogenation of ethylene to ethane under very mild conditions.

}, issn = {0276-7333}, doi = {10.1021/acs.organomet.2c00641}, author = {Agrawal, Nisha K. and Dash, Soumya R. and Vanka, Kumar and Jagirdar, Balaji R.} } @article {48695, title = {Electronic fingerprints for diverse interactions of methanol with various Zn-based systems}, journal = {Surface Science}, volume = {736}, year = {2023}, month = {OCT}, pages = {122350}, type = {Article}, abstract = {

We have investigated various Zn-based catalysts for their interaction with methanol (MeOH). MeOH is one of the most critical molecules being studied extensively, and Zn-based catalysts are widely used in many industrially relevant reactions involving MeOH. We note that the same element (Zn and O, in the present study) exhibits different catalytic activity in different environments. The changing environment is captured in the underlying electronic structure of the catalysts. In the present work, we compared the electronic structure of Zn-based systems, i.e., ZnAl2O4 and ZnO along with oxygen preadsorbed Zn (O-Zn) and metallic Zn. We demonstrate the one-to-one correlation between the pDOS of the bare facet and the outcome of that facet{\textquoteright}s interaction (i.e. either adsorption or dissociation of MeOH) with MeOH. These findings would pave the way towards the in-silico design of catalysts.

}, keywords = {DFT, Electronic properties, Methanol, Zn-based systems, ZnO}, issn = {0039-6028}, doi = {10.1016/j.susc.2023.122350}, author = {Mehta, Shweta and Joshi, Kavita} } @article {48494, title = {Electrostatic modulation of intramolecular and intermolecular interactions during the formation of an amyloid-like assembly}, journal = {Biochemistry}, volume = {62}, year = {2023}, month = {MAY}, pages = {1890-1905}, type = {Article}, abstract = {

The mechanism of protein aggregation can be broadly viewedas ashift from the native-state stabilizing intramolecular to the aggregated-phasesustaining intermolecular interactions. Understanding the role ofelectrostatic forces on the extent of modulation of this switch hasrecently evolved as a topic of monumental significance as proteinaggregation has lately been connected to charge modifications of anaging proteome. To decipher the distinctive role of electrostaticforces on the extremely complicated phase separation landscape, weopted for a combined in vitro-in silico approach to ascertainthe structure-dynamics-stability-aggregabilityrelationship of the functional tandem RRM domains of the ALS-relatedprotein TDP-43 (TDP-43(tRRM)), under a bivariate solutioncondition in terms of pH and salt concentration. Under acidic pH conditions,the native TDP-43(tRRM) protein creates an aggregation-proneentropically favorable partially unfolded conformational landscapedue to enthalpic destabilization caused by the protonation of theburied ionizable residues and consequent overwhelming fluctuationsof selective segments of the sequence leading to anti-correlated movementsof the two domains of the protein. The evolved fluffy ensemble witha comparatively exposed backbone then easily interacts with incomingprotein molecules in the presence of salt via typical amyloid-aggregate-likeintermolecular backbone hydrogen bonds with a considerable contributionoriginating from the dispersion forces. Subsequent exposure to excesssalt at low pH conditions expedites the aggregation process via anelectrostatic screening mechanism where salt shows preferential bindingto the positively charged side chain. The applied target observable-specificapproach complementarity unveils the hidden information landscapeof an otherwise complex process with unquestionable conviction.

}, issn = {0006-2960}, doi = {10.1021/acs.biochem.3c00014}, author = {Pillai, Meenakshi and Das, Atanu and Jha, Santosh Kumar} } @article {48748, title = {Elevated level of glycated KQTALVELVK peptide of albumin is associated with the risk of diabetic nephropathy}, journal = {ACS Omega}, volume = {8}, year = {2023}, month = {JUN }, pages = {20654-20660}, type = {Article}, abstract = {

Diabetic nephropathyis a leading cause of end-stagerenal disease.Hence, early detection of diabetic nephropathy is essential to mitigatethe disease burden. Microalbuminuria, the currently used diagnosticmarker of diabetic nephropathy, is not efficient in detecting it atan early stage. Therefore, we explored the utility of glycated humanserum albumin (HSA) peptides for risk prediction of diabetic nephropathy.Three glycation-sensitive HSA peptides, namely, FKDLG-EENFK,KQTAL-VELVK, and KVPQVST-PTLVEVSR, with deoxyfructosyllysine(DFL) modification were quantified by targeted mass spectrometry (MS)in a study population comprising healthy and type II diabetes subjectswith and without nephropathy. Mass spectrometry, receiver operatingcharacteristic (ROC) curve, and correlation analysis revealed thatthe DFL-modified KQTALVELVK peptide was better than other glycatedHSA peptides and HbA(1c) for identifying diabetic nephropathy.DFL-modified KQTALVELVK could be a potential marker for risk predictionof diabetic nephropathy.

}, issn = {2470-1343}, doi = {10.1021/acsomega.3c01219}, author = {Chaurasiya, Arvindkumar H. and Jaiswal, Meera R. and Bayatigeri, Santhakumari and Kahar, Shweta and Tiwari, Shalbha and Unnikrishnan, Ambika G. and Kulkarni, Mahesh J.} } @article {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 {48699, title = {Ferroelectric polarization and iron substitution synergistically boost electrocatalytic oxygen evolution reaction in bismuth oxychloride nanosheets}, journal = {Langmuir}, volume = {39}, year = {2023}, month = {AUG }, pages = {11414-11425}, type = {Article}, abstract = {

Ferroelectric materials have gained significant interestin variouskinds of water splitting, but the study of ferroelectric materialsfor electrocatalytic water splitting is in its infancy. Ferroelectricmaterials have spontaneous polarization below their Curie temperaturedue to dipolar alignment, which results in surface charges. In 2Dferroelectric materials, spontaneous polarization depends on thickness.Herein, we report that thickness-dependent ferroelectric polarizationin 2D nanosheets can also accelerate the oxygen evolution reaction(OER) along with the tailored active surface area of exposed crystallinefacets, which improves the electrocatalytic activity relatively. Iron-substitutedBiOCl nanosheets of varying thickness are fabricated by varying thepH using a facile coprecipitation method. The substituted iron enhancespolarization and electrochemical active sites on the surface. Thefindings in this study show that the exposed (001) facet and higherthickness of the nanosheets have high ferroelectric polarization and,in turn, superior electrocatalytic activity and remarkable stability,requiring low overpotentials (348 mV and 270 mV at 100 mA/cm(2) and 10 mA/cm(2)) in alkaline (1.0 M KOH) electrolyte. Asthe thickness of the nanosheets is decreased from 140 to 34 nm, theelectrocatalytic performance of iron-substituted BiOCl nanosheetsstarts to reduce due to the lower Coulomb-Coulomb interactionand the increasing depolarization.

}, issn = {0743-7463}, doi = {10.1021/acs.langmuir.3c01272}, author = {Singh, Dinesh and Joshi, Bhavana and Poddar, Pankaj} } @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 {48669, title = {Green, practical \& scalable approach towards the synthesis of valuable α-keto amides using a metal-free catalyst under solvent-free conditions}, journal = {New Journal of Chemistry}, volume = {47}, year = {2023}, month = {OCT}, pages = {19679-19687}, type = {Article}, abstract = {

alpha-Ketoamides are very important motifs as they are present in many natural products, drugs \& biologically important molecules. We synthesized a very simple, cheap, eco-friendly \& reusable glucose-based carbonaceous material (GCM), which showed high performance as a catalyst in the oxidative cross-dehydrogenative coupling (CDC) reaction of alpha-ketoaldehydes with amines for the synthesis of alpha-ketoamides. The GCM catalyst was also very efficient for one-pot two-step synthesis of alpha-ketoamides from alpha-ketoalcohols as well. The GCM catalyst was able to catalyze alcohol oxidation in alpha-ketoalcohols followed by CDC reaction with amines to form alpha-ketoalcohols. The reactions were found to proceed smoothly at a low temperature of 50 degrees C using a green \& economical metal-free catalyst under base-free, ligand-free \& solvent-free reaction conditions to get the corresponding alpha-ketoamides in good to excellent yields. The results demonstrated that the GCM catalyst showed acidic as well as superior oxidising catalytic activity due to the presence of a carboxylic acid (-COOH) and hydroxyl (-OH)-enriched carbonaceous framework, which enabled the synthesis of important alpha-ketoamide motifs. The applicability of the catalyst was also evaluated for the synthesis of an anti-HIV agent drug molecule. Greener, cheaper \& eco-friendly GCM catalyst as well as catalytic process for synthesis of alpha-Keto Amides.

}, issn = {1144-0546}, doi = {10.1039/d3nj03087c}, author = {Bankar, Shubham R. and Ghadge, Sambhaji S. and Jadhav, Vrushali H.} } @article {48791, title = {H-atom site exchange in an iridium trans-dihydrogen/hydride complex, trans-[Ir(H)(?2-H2)(iPr)4(POCOP)(DMAP)]+}, journal = {Dalton Transactions}, volume = {52}, year = {2023}, month = {OCT }, pages = {13858-13863}, type = {Article}, abstract = {

Treatment of trans-[Ir(H)(N)(2)((iPr)4)(POCOP)(DMAP)][BAr4f] (2) with H-2 (1 bar) under ambient conditions (298 K) results in the formation of a trans-[Ir(H)(?(2)-H-2)((iPr)4)(POCOP)(DMAP)][BAr4f] (3) complex. Complex 3 exhibits H-atom site exchange between the bound H-2 and the hydride ligands which are mutually trans to one another. A plausible mechanism of this exchange involves metal-ligand cooperativity as studied by computations.

}, issn = {1477-9226}, doi = {10.1039/d3dt02366d}, author = {Agrawal, Nisha K. and Gayathridevi, S. and Dash, Soumya R. and Vanka, Kumar and Jagirdar, Balaji R.} } @article {48323, title = {Histidinal-based potent antimalarial agents}, journal = {ChemMedChem}, volume = {18}, year = {2023}, month = {MAY }, type = {Article}, abstract = {

Herein we report the synthesis and evaluation of peptide-histidinal conjugated drug scaffolds, which have the potential to target the hemoglobin-degrading proteases falcipain-2/3 from the human malaria parasite. Scaffolds with various substitutions were tested for antimalarial activity, and compounds 8 g, 8 h, and 15 exhibited EC50 values of similar to 0.018 mu M, similar to 0.069 mu M, and similar to 0.02 mu M, respectively. Structure-based docking studies on falcipain-2/3 proteases (PDB:2GHU and PDB:3BWK) revealed that compounds 8 g, 8 h, and 15 interact strongly with binding sites of falcipain-2/3 in a substrate-like manner. In silico ADME studies revealed that the molecules of interest showed no or minimal violations of drug-likeness parameters. Further, phenotypic assays revealed that compound 8 g and its biotinylated version inhibit hemoglobin degradation in the parasite food vacuole. The identification of falcipain-2/3 targeting potent inhibitors of the malaria parasite can serve as a starting point for the development of lead compounds as future antimalarial drug candidates.

}, keywords = {artemisinin, chloroquine, digestive vacuole, docking, falcipains, falciparum, P}, issn = {1860-7179}, doi = {10.1002/cmdc.202200709}, author = {Meena, Chhuttan L. and Hingamire, Tejashri and Gupta, Tanya and Deshmukh, Bhagyashree and Karmodiya, Krishanpal and Joshi, Rakesh and Shanmugam, Dhanasekaran and Sanjayan, Gangadhar J.} } @article {48774, title = {Hydrogen from catalytic non-thermal plasma-assisted steam methane reforming reaction}, journal = {International Journal of Hydrogen Energy}, volume = {48}, year = {2023}, month = {JUL}, pages = {24328-24341}, type = {Article}, abstract = {

Steam methane reforming reaction was carried out in a dielectric barrier plasma reactor. A systematic study is conducted to understand the influence of input power, flow rate, and water for the conversion, yield, and selectivity of the reaction over strategically designed catalysts. In particular, the production rate and selectivity of the products (H2, CO and C2 hydrocarbons) are monitored. CeO2 was used as packing material, mixed with oxides of manganese or copper and their combination. The optimum Cu/CeO2 catalyst illustrated the production rate of 248.7 mmolg-1h-1 and 11.25 mmolg-1h-1 for H2, and CO, respectively at specific energy input of 19.8 JL-1. DFT calculations exhibit apparent change in electronic structure of the CeO2 after inclusion of oxides of manganese and copper that enhance interaction with methane. Based on these findings, a plausible mechanism is elucidatedSteam methane reforming reaction was carried out in a dielectric barrier plasma reactor. A systematic study is conducted to understand the influence of input power, flow rate, and water for the conversion, yield, and selectivity of the reaction over strategically designed catalysts. In particular, the production rate and selectivity of the products (H2, CO and C2 hydrocarbons) are monitored. CeO2 was used as packing material, mixed with oxides of manganese or copper and their combination. The optimum Cu/CeO2 catalyst illustrated the production rate of 248.7 mmolg-1h-1 and 11.25 mmolg-1h-1 for H2, and CO, respectively at specific energy input of 19.8 JL-1. DFT calculations exhibit apparent change in electronic structure of the CeO2 after inclusion of oxides of manganese and copper that enhance interaction with methane. Based on these findings, a plausible mechanism is elucidated which can help to design catalyst for other applications in non-thermal plasma atmosphere. \& COPY; 2023 Hydrogen Energy Publications LLC. Published by Elsevier Ltd. All rights reserved.

}, keywords = {DFT, Dielectric barrier discharge, Non-thermal plasma, selectivity, Specific energy input, Steam methane reforming}, issn = {0360-3199}, doi = {10.1016/j.ijhydene.2023.03.281}, author = {Bajpai, Abhinav and Mehta, Shweta and Joshi, Kavita and Kumar, Sushant} } @article {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 {48686, title = {Insights into the synthesis and kinetics of silver-on-silica core-shell particles}, journal = {Langmuir}, volume = {39}, year = {2023}, month = {JUL}, pages = {9681-9692}, type = {Article}, abstract = {

In this study, a heterogeneous nucleation and growthmodel hasbeen developed to explore the formation mechanism of silver-depositedsilica core-shell particles based on the reaction kinetics.To validate the core-shell model, the time-dependent experimentaldata were quantitatively examined and in situ reduction,nucleation, and growth rates were estimated by optimizing the concentrationprofiles of reactants and deposited silver particles. Using this model,we also attempted to predict the change in the surface area and diameterof core-shell particles. The concentration of the reducingagent, metal precursor, and reaction temperature were found to havea strong influence on the rate constants and morphology of core-shellparticles. Higher rates of nucleation and growth often produced thick,asymmetric patches that covered the entire surface, whereas lowerrates produced sparsely deposited silver particles with a sphericalshape. The result revealed that by simply tuning the process parametersand controlling the relative rates, the morphology of deposited silverparticles and the surface coverage can be controlled while retainingthe spherical shape of the core. The present study aims to offer comprehensivedata pertaining to the nucleation, growth, and coalescence processesof core-shell nanostructures which will aid in the developmentand understanding of the principles that govern the formation of nanoparticle-coatedmaterials.

}, issn = {0743-7463}, doi = {10.1021/acs.langmuir.3c00624}, author = {Jundale, Rajashri B. and Bari, Atul H. and Kulkarni, Amol A.} } @article {48461, title = {Investigating the ferrimagnetic behaviour of trigonal 3C Fe7S8 nanoparticles}, journal = {Bulletin of Materials Science}, volume = {46}, year = {2023}, month = {MAY}, pages = {108}, type = {Article}, abstract = {

The magnetic properties of trigonal 3C Fe7S8 nanoparticles, synthesized via the thermal decomposition method, are investigated using temperature-dependent zero-field cooled (ZFC) and field-cooled (FC) magnetization (M-T) curves. The M-T data, recorded at 100 and 1000 Oe, reveal magnetic ordering with high Curie transition temperature (T-C \> 300 K) in the specimen. The magnetization vs. applied magnetic field (M-H) data measured in the temperature range from 7 to 300 K show that the compound exhibits ferrimagnetic ordering. The values of coercivity (H-C), saturation magnetization (M-60 kOe) and remanent magnetization (M-R) appear to increase at lower measuring temperatures. As the result of increasing M-60 kOe at lower measuring temperatures, within the temperature range of 7 to 300 K, the maximum energy product (BHmax) has the highest value of 128 kG Oe at 7 K.

}, keywords = {anisotropy, energy product, Fe7S8, ferrimagnetism, Pyrrhotites, trigonal phase}, issn = {0250-4707}, doi = {10.1007/s12034-023-02943-1}, author = {Jyotsna, Shubhra and Poddar, Pankaj} } @article {48957, title = {Iron-catalyzed regioselective C-H alkylation of indoles: an additive-free approach in renewable solvent}, journal = {Green Chemistry }, volume = {25}, year = {2023}, month = {NOV }, pages = {9733-9743}, type = {Journal Article}, abstract = {

Alkylated indoles are important motifs in various biologically active molecules and drug candidates. Herein, we report a mild and efficient iron-catalyzed protocol for synthesizing alkylated indoles via C-H bond alkylation of indoles with unactivated alkenes, demonstrating a high level of regioselectivity. The reaction occurs under additive-free, solvent-free (or trace green solvent, 2-MeTHF) and less energy-intensive conditions using a sustainable metal catalyst and provides easy access to privileged alkylated indoles with anti-Markovnikov selectivity. Alkylation is compatible with important functionalities, such as fluoro, chloro, trifluoromethyl, alkenyl, ether, thioether, silyl, and siloxane, including heteroaryl, pyridinyl, carbazolyl, and indolyl moieties (45 examples, up to 96\% yield). The developed protocol is very simple, straightforward, and fully accords with the principles of green chemistry. A detailed mechanistic investigation manifests the facile indole{\textquoteright}s C-H activation at the Fe(0) center, reversible 1,2-insertion of the alkene into the Fe-H bond of a metallacycle, and a turnover-limiting reductive elimination. Alkylated indoles are important motifs in various biologically active molecules and drug candidates.

}, keywords = {Aromatic Ketones, Green, organic synthesis}, issn = {1463-9262}, doi = {10.1039/d3gc03709f}, author = {Pradhan, Chandini and Jagtap, Rahul A. and Samal, Pragnya Paramita and Krishnamurty, Sailaja and Punji, Benudhar} } @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 {48775, title = {MeGen-generation of gallium metal clusters using reinforcement learning}, journal = {Machine Learning-Science and Technology}, volume = {4}, year = {2023}, month = {JUN }, pages = {025032}, type = {Article}, abstract = {

The generation of low-energy 3D structures of metal clusters depends on the efficiency of the search algorithm and the accuracy of inter-atomic interaction description. In this work, we formulate the search algorithm as a reinforcement learning (RL) problem. Concisely, we propose a novel actor-critic architecture that generates low-lying isomers of metal clusters at a fraction of computational cost than conventional methods. Our RL-based search algorithm uses a previously developed DART model as a reward function to describe the inter-atomic interactions to validate predicted structures. Using the DART model as a reward function incentivizes the RL model to generate low-energy structures and helps generate valid structures. We demonstrate the advantages of our approach over conventional methods for scanning local minima on potential energy surface. Our approach not only generates isomer of gallium clusters at a minimal computational cost but also predicts isomer families that were not discovered through previous density-functional theory (DFT)-based approaches.

}, keywords = {gallium clusters, reinforcement learning, structure generation}, doi = {10.1088/2632-2153/acdc03}, author = {Modee, Rohit and Verma, Ashwini and Joshi, Kavita and Priyakumar, U. Deva} } @article {48765, title = {MnXWO4 nanostructure-based catalysts for single-step oxidation of cyclohexane and methane to oxygenates}, journal = {ACS Applied Nano Materials}, volume = {6}, year = {2023}, month = {APR}, pages = {7245-7258}, type = {Article}, abstract = {

Activation of the C-H bond in cyclohexane (CYH) and methane is a crucial step to obtain desirable oxygenated products using nanostructured catalyst and is a great challenge and an efficient route to mitigate the inauspicious effects of climate change. The active sites were identified using XRD, HR-TEM, SEM, N2 sorption analysis, TPR, Raman, XPS, TGA, in situ DRIFT, XAS, etc. In optimal reaction conditions, 46\% of CYH was converted into adipic acid (AA) on MnxWO4 nanostructures within 6 h. The recyclability test confirmed the catalyst heterogeneity, which revealed no appreciable loss of catalytic activity even after three consecutive reactions. In situ DRIFT study reveals that CYH is oxidized to cyclohexanone and cyclohexanol (KA oil) and is further oxidized to AA via carboxylate intermediates. DFT studies disclosed that MnOx species are responsible for the C-H activation of CYH, and the Mn2+/Mn3+ redox centers play a vital role in the absorption of KA oil to form AA. Herein, we demonstrated the significant role of the {\textquoteleft}{\textquoteleft}MnOx{\textquoteright}{\textquoteright} species and that adequate Lewis and Bronsted acidic sites, redox centers of (Mn2+/Mn3+), and lattice oxygen are accountable for the CYH conversion toward the AA. Additionally, we have reported the oxidation of methane to methanol (146 mu mole per gram of catalyst) in the presence of water at 75 degrees C without over-oxidation products.

}, keywords = {Adipic Acid, C-H bond activation, Cyclohexane oxidation, methane activation, MnOx chain, Redox center}, doi = {10.1021/acsanm.3c00319}, author = {Prabu, Marimuthu and Manikandan, Marimuthu and Samal, Pragnya Paramita and Gurrala, Lakshmi Prasad and Mekala, Siva Prasad and Archana, Ramakrishnan and Nayak, Chandrani and Bhattacharyya, D. and Jha, S. N. and Krishnamurty, Sailaja and Raja, Thirumalaiswamy} } @article {49137, title = {Modular TiO2-squaraine dyes/electrolyte interface for dye-sensitized solar cells with cobalt electrolyte}, journal = {Chemphotochem}, volume = {7}, year = {2023}, month = {APR}, type = {Article}, abstract = {

Strategies to diminish both charge recombination and aggregation of dyes on the photoanode by functionalizing the sensitizer with alkyl groups is the best approach to achieve high dyesensitized solar cell (DSSC) efficiency. Development of such a photoanode with NIR-active dyes which is compatible with a cobalt electrolyte is important to enhance the photovoltaic performance. In this report, alkyl-group-wrapped donor-acceptor-donor (D-A-D) based unsymmetrical squaraine dyes have been used for DSSC device characterization with a cobalt electrolyte. Surface passivation of photoanode was varied systematically by the extent of functionalization with alkyl groups to avoid charge recombination. DSSC device performance of 5.92\% was achieved for an alkyl-group-wrapped squaraine dye with a cobalt electrolyte. Hence, appending the alkyl groups on the donor unit of squaraine dyes helps passivating the photoanode, whereas introducing hydrophilic groups provides a leaky surface where oxidized electrolyte species reach the titanium-metal-oxide surface which promotes the charge recombination process.

}, keywords = {counter-electrode, DSSC device efficiency, Dye-sensitized solar cells, Electrolytes, unsymmetrical squaraine dye}, issn = {2367-0932}, doi = {10.1002/cptc.202200171}, author = {Singh, Ambarish Kumar and Sudhakar, Vediappan and Javaregowda, Bharathkumar H. and Bisht, Rajesh and Krishnamoorthy, Kothandam and Nithyanandhan, Jayaraj} } @article {48778, title = {Morphology-dependent catalysis by Co3O4 nanostructures in atmospheric pressure carbon dioxide hydrogenation}, journal = {Journal of Physical Chemistry C}, volume = {127}, year = {2023}, month = {JUL}, pages = {13055-13064}, type = {Article}, abstract = {

In this work, three Co3O4 nanostructureswith different morphologies (cubes, rods, and sheets) were synthesizedusing a hydrothermal method and tested for the CO2 hydrogenationreaction. The physicochemical properties of the structured Co3O4 were well characterized by X-ray diffraction(XRD), Raman spectroscopy, field-emission scanning electron microscopy(FESEM), transmission electron microscopy (TEM), high-resolution transmissionelectron microscopy (HRTEM), hydrogen temperature-programmed reduction(H-2-TPR), and X-ray photoelectron spectroscopy (XPS) techniques.Based on the characterization, cube, rod, and sheet Co3O4 nanostructures were found to expose the (100), (110),and (112) planes, respectively. The effect of cobalt oxide morphologieswith different exposed surfaces on the activity and selectivity towardCO(2) hydrogenation reaction in a plug-flow reactor operatedbetween 200 and 400 \& DEG;C under atmospheric pressure conditionswas explored. The results establish a correlation of the catalyticactivity with morphological structures in the order rods \> sheets\> cubes. H-2-TPR and XPS studies demonstrated that thehighreducibility of Co3O4 rod makes it an excellentcatalyst for CO2 hydrogenation.

}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.3c02857}, author = {Gupta, Sharad and Jain, Preeti and Jagadeesan, Dinesh and Vinod, C. P.} } @article {49134, title = {Multistep molecular mechanism of amyloid-like aggregation of nucleic acid-binding domain of TDP-43}, journal = {Proteins- Structure Function and Bioinformatics}, volume = {91}, year = {2023}, month = {MAY}, pages = {649-664}, type = {Article}, abstract = {

TDP-43 protein is associated with many neurodegenerative diseases and has been shown to adopt various oligomeric and fibrillar states. However, a detailed kinetic understanding of the structural transformation of the native form of the protein to the fibrillar state is missing. In this study, we delineate the temporal sequence of structural events during the amyloid-like assembly of the functional nucleic acid-binding domain of TDP-43. We kinetically mapped the aggregation process using multiple probes such as tryptophan and thioflavin T (ThT) fluorescence, circular dichroism (CD), and dynamic light scattering (DLS) targeting different structural events. Our data reveal that aggregation occurs in four distinct steps-very fast, fast, slow, and very slow. The {\textquoteleft}{\textquoteleft}very fast{\textquoteright}{\textquoteright} change results in partially unfolded forms that undergo conformational conversion, oligomerization and bind to ThT in the {\textquoteleft}{\textquoteleft}fast step{\textquoteright}{\textquoteright} to form higher order intermediates (HOI). The temporal sequence of the formation of ThT binding sites and conformational conversion depends upon the protein concentration. The HOI further undergoes structural rearrangement to form protofibrils in the {\textquoteleft}{\textquoteleft}slow{\textquoteright}{\textquoteright} step, which, consequently, assembles in the {\textquoteleft}{\textquoteleft}very slow{\textquoteright}{\textquoteright} step to form an amyloid-like assembly. The spectroscopic properties of the amyloid-like assembly across the protein concentration remain similar. Additionally, we observe no lag phase across protein concentration for all the probes studied, suggesting that the aggregation process follows a linear polymerization reaction. Overall, our study demonstrates that the amyloid-like assembly forms in multiple steps, which is also supported by the temperature dependence of the kinetics.

}, keywords = {aggregation pathway, amyloid-like assembly, conformational conversion, kinetics, oligomers}, issn = {0887-3585}, doi = {10.1002/prot.26455}, author = {Pillai, Meenakshi and Jha, Santosh Kumar} } @article {48781, title = {Nanopore sequencing of RAGE gene polymorphisms and their association with type 2 diabetes}, journal = {ACS Omega}, volume = {8}, year = {2023}, month = {JUL}, pages = {25727-25738}, type = {Article}, abstract = {

The receptor foradvanced glycation end products (RAGE)is a transmembraneprotein that interacts with its ligands, advanced glycation end products(AGEs). AGEs are elevated in diabetes and diabetic complications,leading to increased oxidative stress and activation of pro-inflammatorypathways facilitated by AGE-RAGE signaling. Polymorphisms inthe RAGE gene can potentially affect AGE-RAGEinteraction and its downstream signaling, which plays a crucial rolein the progression of diabetes and its complications. In this study,we used nanopore sequencing for genotyping of RAGE polymorphism and identified a maximum number of 33 polymorphisms,including two previously unreported novel mutations in a cohort ofhealthy, type 2 diabetics without nephropathy and type 2 diabeticswith nephropathy in order to identify associations. Two novel RAGE polymorphisms in the intron 8 and 3 \& PRIME;UTR regionat genomic locations 32181834 and 32181132, respectively, were detectedwith a low frequency. For four previously reported polymorphisms,cross-validation by PCR-RFLP showed 99.75\% concordance with nanoporesequencing. Analysis of genotype distribution and allele frequenciesrevealed that five single nucleotide polymorphisms, i.e., rs1800625,rs3131300, rs3134940, rs2070600, and rs9391855, were associated withan increased risk for type 2 diabetes.

}, issn = {2470-1343}, doi = {10.1021/acsomega.3c00297}, author = {Chaurasiya, Arvindkumar H. and Khilari, Ajinkya A. and Kazi, Rubina and Jaiswal, Meera R. and Bhoite, Gouri M. and Padwal, Meghana K. and Momin, Abdulrahaman A. and Shanmugam, Dhanasekaran and Kulkarni, Mahesh J.} } @article {48834, title = {Nanosilica from Averrhoa bilimbi juice pre-treated rice husk: preparation and characterization}, journal = {Journal of Cleaner Production}, volume = {413}, year = {2023}, month = {AUG }, pages = {137476}, type = {Article}, abstract = {

The preparation of nanosilica from rice husk without using any concentrated mineral acids is a novel concept. This work proposes a bioleaching strategy to remove metallic impurities from rice husk for the preparation of nanosilica. Herein, nanosilica (BJRHS) was prepared by calcinating Averrhoa bilimbi juice pre-treated rice husks in a muffle furnace. The chemical and atomic structures of commercial precipitated silica (CS), rice husk ash (RHA), and BJRHS were analyzed using different analytical techniques. The optimal leaching time, calcination temperature, and calcination time were 1 h, 500 degrees C, and 6 h respectively. The particle size of BJRHS was found to be 6-12 nm, which is less than that of RHA and CS. The BET surface area of BJRHS (204 m2/g) was found to be greater than RHA (110.5 m2/g) and CS (172.1 m2/g). Mesoporous nanosilica with excellent surface area and purity was produced sustainably from rice husk which could be recommended to use in the field of catalysis, polymer technology, etc.

}, keywords = {Averrhoa bilimbi juice, Bioleaching, Nanosilica, rice husk}, issn = {0959-6526}, doi = {10.1016/j.jclepro.2023.137476}, author = {Dominic, C. D. Midhun and Neenu, K. V. and Begum, P. M. Sabura and Joseph, Rani and Rosa, Derval dos Santos and Duan, Yongxin and Balan, Aiswarya and Ajithkumar, T. G. and Soumya, Mary and Shelke, Ankita and Parameswaranpillai, Jyotishkumar and Badawi, Michael} } @article {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 {48290, title = {Organic field effect transistors comprising copolymers synthesized without structure-directing moieties with enhanced carrier mobility}, journal = {ACS Applied Electronic Materials}, volume = {5}, year = {2023}, month = {APR}, pages = {2338-2344}, type = {Article}, abstract = {

Conjugated materials are synthesized by C-C bond formation reactions. Trimethyltin and boronic acid are two widely used structure-directing moieties. While using the ethynyl moiety as a part of the monomer, additional structure-directing moieties are not needed. However, ethynylene will be part of the conjugated material. Often, the polymers with an ethynylene moiety negatively impact the polymers{\textquoteright} properties. However, the ethynylene moiety could minimize the dihedral angle if the monomer has steric functionalities. For example, BODIPY is an attractive monomer due to its high molar extinction coefficient, partial quinoidal character, and high quantum yield. However, materials based on BODIPY exhibited poor charge carrier mobility due to steric hindrance generated by four methyl groups. Herein, we copolymerize BODIPY with ethynylene comprising i-indigo and thieno-i-indigo. The copolymer with thieno-i-indigo showed increased molecular weight and significantly reduced band gap compared to the copolymer with i-indigo. The copolymer with i-indigo showed immeasurably low hole transport mobility. On the other hand, the copolymer with thieno-i-indigo exhibited 0.003 cm2V(-1) s(-1). These measurements were made using field effect transistors. We also measured the charge carrier mobility using the space charge-limited current method. Both copolymers exhibited a mobility of 10(-3) cm(2) V-1 s(-1).

}, keywords = {acetylene linkage, BODIPY, field effect transistor, iso-indigo, Sonogashira coupling, thienoisoindigo}, doi = {10.1021/acsaelm.3c00160}, author = {Swain, Gitanjali and Javaregowda, Bharathkumar H. and Dambhare, Neha V. and Krishnamoorthy, Kothandam} } @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 {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 {48469, title = {Photocatalytic setup for in situ and operando ambient-pressure X-ray photoelectron spectroscopy at MAX IV Laboratory}, journal = {Journal of Synchrotron Radiation}, volume = {30}, year = {2023}, month = {MAY}, pages = {613-619}, type = {Article}, abstract = {

The Ambient-Pressure X-ray Photoelectron Spectroscopy (APXPS) endstation at the SPECIES beamline at MAX IV Laboratory has been improved. The latest upgrades help in performing photo-assisted experiments under operando conditions in the mbar pressure range using gas and vapour mixtures whilst also reducing beam damage to the sample caused by X-ray irradiation. This article reports on endstation upgrades for APXPS and examples of scientific cases of in situ photocatalysis, photoreduction and photo-assisted atomic layer deposition (photo-ALD).

}, keywords = {APXPS, photo-ALD, Photocatalysis, solar simulator}, issn = {0909-0495}, doi = {10.1107/S1600577523002801}, author = {Klyushin, Alexander and Ghosalya, Manoj and Kokkonen, Esko and Eads, Calley and Jones, Rosemary and Nalajala, Naresh and Gopinath, Chinnakonda S. and Urpelainen, Samuli} } @article {48320, title = {Photoinduced CO2 and N2 reductions on plasmonically enabled gallium oxide}, journal = {Journal of Colloid and Interface Science}, volume = {629}, year = {2023}, month = {JAN}, pages = {654-666}, type = {Article}, abstract = {

Ag-containing ZnO/ b-Ga2O3 semiconductor, which exhibit reduced bandgap, increased light absorption, and hydrophilicity, have been found to be useful for photocatalytic CO2 reduction and N2 fixation by water. The charge-separation is facilitated by the new interfaces and inherent vacancies. The Ag@GaZn demonstrated the highest photocurrent response, about 20-and 2.27-folds that of the Ga and GaZn sam-ples, respectively. CO, CH4, and H2 formed as products for photo-reduction of CO2. Ag@GaZn catalyst exhibited the highest AQY of 0.121 \% at 400 nm (31.2 W/m2). Also, Ag@GaZn generated 740 lmolg-1 of NH4+ ions, which was about 18-folds higher than Ga sample. In situ DRIFTS for isotopic-labelled 13CO2 and 15N2 reaffirmed the photo-activity of as-synthesized catalysts. Density functional theory pro-vided insight into the relative affinity of different planes of heterostructures towards H2O, CO2 and N2 molecules. The structure-photoactivity rationale behind the intriguing Ag@GaZn sample offers a funda-mental insight into the role of plasmonic Ag and design principle of heterostructure with improved pho-toactivity and stability.(c) 2022 Elsevier Inc. All rights reserved.

}, keywords = {CO2 reduction, DRIFTS density functional theory, hydrophilicity, Photocurrent response}, issn = {0021-9797}, doi = {10.1016/j.jcis.2022.09.097}, author = {Ojha, Niwesh and Thakkar, Kavita and Bajpai, Abhinav and Joshi, Kavita and Kumar, Sushant} } @article {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 {48289, title = {Reaction pathways and kinetics of N-acetyl-d-glucosamine hydrolysis in sub- and supercritical water}, journal = {New Journal of Chemistry}, volume = {8}, year = {2023}, month = {MAY }, pages = {1097-1108}, type = {Article}, abstract = {

Subcritical and supercritical water hydrolysis of N-acetyl-d-glucosamine (NAG) to value-added chemicals has been studied in detail. Experiments were carried out using a continuous flow reactor by varying temperature (250-400 degrees C), pressure (5-25 MPa) and residence time (2-60 s). A wide product distribution was obtained during the reactions, including solid, liquid and gaseous compounds, sensitive to the state of water: sub- or supercritical. Subcritical conditions promoted the formation of solid compounds, whereas gasification was favored in supercritical water. The prominent products present in the liquid fraction were glycolic acid, acetic acid, formic acid, 5-HMF and acetamide. The formation of a few distinct nitrogen-containing heterocyclic compounds was observed only in supercritical water. Following instantaneous deacetylation of NAG, several oxidation, reduction and secondary reactions occur during hydrolysis of NAG in subcritical and supercritical water. A kinetic model for the prediction of yields of acetic acid, glycolic acid and formic acid is developed. The network of reactions showed specifc deviations from conventional understanding. The current findings show that it is possible to develop a suitable process to make a set of value-added chemicals from chitinous biomass.

}, issn = {2058-9883}, doi = {10.1039/d3re00046j}, author = {Kulkarni, Sphurti P. P. and Joshi, Sunil S. S. and Kulkarni, Amol A. A.} } @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 {48763, title = {Regulation of trehalose metabolism in insects: from genes to the metabolite window}, journal = {Glycobiology}, volume = {33}, year = {2023}, month = {MAY }, pages = {262-273}, type = {Review}, abstract = {

Trehalose is a major circulatory sugar in the haemolymph of insects. It provides instant energy and protection against stress. Trehalose metabolism is associated with insect growth and development. The architecture and spatio-temporal expression dynamics of trehalose metabolism and transport genes are key for regulation. These genes are controlled by various transcription factors, largely linked to nutrition, insect development, and metamorphosis. Also, trehalose levels are affected by substrate affinities and modifications of enzymes involved in the pathway. A feedback mechanism involving the precursors and products can regulate trehalose metabolism. Further, the neuroendocrine system controls trehalose levels under normal and stressed conditions by producing different hormones. Hypotrehalosemic hormones work under surplus energy conditions to activate haemolymph trehalose uptake and degradation. In contrast, hypertrehalosemic hormones stimulate trehalose production in the fat body and its transport to the haemolymph. However, trehalose metabolism regulation in insects needs to be studied in detail. This review discusses aspects of trehalose synthesis, transport, and degradation dynamics in developmental transition and stress response. Unraveling the epigenetic factors, transcriptional control and chemical or genetic modulators can provide further insights into the intricate regulation of trehalose in a development- and tissue-specific manner. This molecular information about effectors and regulators of trehalose metabolism can be applied in developing diverse biotechnological applications.

}, keywords = {Hormone, Insect development, Metabolic regulation, Stress, trehalose}, issn = {0959-6658}, doi = {10.1093/glycob/cwad011}, author = {Tellis, Meenakshi B. and Kotkar, Hemlata M. and Joshi, Rakesh S.} } @article {48814, title = {Response of cardiac pulse parameters in humans at various inclinations via 360{\textdegree} rotating platform for simulated microgravity perspective}, journal = {NPJ Microgravity}, volume = {9}, year = {2023}, month = {JUL}, pages = {54}, type = {Article}, abstract = {

On the Earth, the human body is designed and adapted to function under uniform gravitational acceleration. However, exposure to microgravity or weightlessness as experienced by astronauts in space causes significant alterations in the functioning of the human cardiovascular system. Due to limitations in using real microgravity platforms, researchers opted for various ground-based microgravity analogs including head-down tilt (HDT) at fixed inclination. However, in the present study, an investigation of response of various cardiac parameters and their circulatory adaptation in 18 healthy male subjects was undertaken by using an indigenously developed 360 \& DEG; rotating platform. Cardiac pulse was recorded from 0 \& DEG; to 360 \& DEG; in steps of 30 \& DEG; inclination using piezoelectric pulse sensor (MLT1010) and associated cardiac parameters were analyzed. The results showed significant changes in the pulse shape while an interesting oscillating pattern was observed in associated cardiac parameters when rotated from 0 \& DEG; to 360 \& DEG;. The response of cardiac parameters became normal after returning to supine posture indicating the ability of the cardiovascular system to reversibly adapt to the postural changes. The observed changes in cardiac parameters at an inclination of 270 \& DEG;, in particular, were found to be comparable with spaceflight studies. Based on the obtained results and the proposed extended version of fluid redistribution mechanism, we herewith hypothesize that the rotation of a subject to head down tilt inclination (270 \& DEG;) along with other inclinations could represent a better microgravity analog for understanding the cumulative cardiac response of astronauts in space, particularly for short duration space missions.

}, doi = {10.1038/s41526-023-00301-3}, author = {Jagtap, Sagar and Kumar, Ajay and Mahale, Bhoopesh and Dixit, Jyotsana and Kalange, Ashok E. and Kanawade, Rajesh and Gangal, Shashikala and Vidyasagar, Pandit} } @article {49006, title = {Robust zeolitic tetrazole framework for electrocatalytic dopamine detection with high selectivity}, journal = {Inorganic Chemistry}, volume = {62}, year = {2023}, month = {NOV }, pages = {20236-20241}, type = {Article}, abstract = {

A novel zeolitic tetrazolate framework (ZTF-8) has been synthesized by solvent-free heat-assisted (70 C-degrees) mechanochemical grinding of zinc acetate and 5-methyl tetrazole in the presence of NaOH powder. The structure of ZTF-8 adopts the zeolitic sodalite (SOD) topology with uncoordinated N-heteroatom sites and resembles the structure of the well-known zeolitic imidazole framework ZIF-8. ZTF-8 is exceptionally stable in 0.1 M aqueous acid and base solutions for 60 days at 25 C-degrees. The unique structure with uncoordinated N-heteroatom active sites and exceptional stability of ZTF-8 facilitated the electrocatalytic oxidation of dopamine to dopamine quinone at neutral pH. Without any postsynthetic modification, ZTF-8 is directly used for the facile electrochemical detection of dopamine over a wide range of concentrations (5-550 mu M) with a high sensitivity (2410.8 mu A mM-1 cm-2). It also demonstrated promising selectivity over other interferents of similar oxidation potential, such as ascorbic acid and uric acid. The DFT study revealed that the ZTF-8 framework has a higher binding energy (-145.07 kJ/mol) and stronger interaction with dopamine than its isostructural ZIF-8 structure (-130.42 kJ/mol).

}, issn = {0020-1669}, doi = {10.1021/acs.inorgchem.3c03189}, author = {Sarfudeen, Shafeeq and Sruthi, Vadakke Purakkal and Maibam, Ashakiran and Panda, Premchand and Jhariat, Pampa and Senthilkumar, Sellappan and BabaRao, Ravichandar and Panda, Tamas} } @article {48466, title = {Selective one pot multicomponent green synthesis of 3-[(aryl)(arylthio)methyl]-1H-indole derivatives utilizing enhanced Lewis acidic sites of Surfactant-assisted ZnO catalyst}, journal = {ChemistrySelect}, volume = {8}, year = {2023}, month = {MAY}, pages = {e202300736}, type = {Article}, abstract = {

Five different ZnO nanocrystallites (ZnO-1 to ZnO-5) were successfully synthesized by a surfactant-assisted hydrothermal technique using various surfactants. All the ZnO nanocrystallites are thoroughly characterized by XRD, IR, UV-DRS spectroscopy and FESEM-EDS analysis. Among the synthesized ZnO nanocrystallites, the CTAB-assisted synthesized ZnO-4 exhibited a fine disc-like morphology with a minimum crystallite size (23 nm). Subsequent to reaction optimization studies, the ZnO-4 is utilized as an efficient catalyst for one pot-three component green synthesis of 3-[(aryl)(arylthio)methyl]-1H-indoles (4a-4p) via. condensation of a variety of indoles, aromatic aldehydes and aromatic thiols at room temperature in water. The single-crystal X-ray structure of 3-[(phenyl)(phenylthio)methyl]-1H-indole (4a) is also been reported (CCDC 2170437). The Lewis acidic property of the catalyst-supported probable mechanism is well proposed subsequent to pyridine-IR studies of the ZnO catalysts. Indeed, CTAB-assisted synthesized ZnO-4 was found to be most effective and selective Lewis acid catalyst for the synthesis of a variety of 3-[(aryl)(arylthio)methyl]-1H-indole derivatives in water at ambient temperature with merits like higher yields, lower reaction time, catalyst recovery and reuse.

}, keywords = {3-[(aryl)(arylthio)methyl]-1H-indole, green synthesis, Lewis acidity, Single crystal, ZnO}, issn = {2365-6549}, doi = {10.1002/slct.202300736}, author = {Sangale, Vijay B. B. and Jagtap, Rohidas M. M. and Mali, Bhupendra P. P. and Gonnade, Rajesh G. G. and Pardeshi, Satish K. K.} } @article {48492, title = {Shapeshifter TDP-43: molecular mechanism of structural polymorphism, aggregation, phase separation and their modulators}, journal = {Biophysical Chemistry}, volume = {295}, year = {2023}, month = {APR}, pages = {106972}, type = {Review}, abstract = {

TDP-43 is a nucleic acid-binding protein that performs physiologically essential functions and is known to un-dergo phase separation and aggregation during stress. Initial observations have shown that TDP-43 forms het-erogeneous assemblies, including monomer, dimer, oligomers, aggregates, phase-separated assemblies, etc. However, the significance of each assembly of TDP-43 concerning its function, phase separation, and aggregation is poorly known. Furthermore, how different assemblies of TDP-43 are related to each other is unclear. In this review, we focus on the various assemblies of TDP-43 and discuss the plausible origin of the structural het-erogeneity of TDP-43. TDP-43 is involved in multiple physiological processes like phase separation, aggregation, prion-like seeding, and performing physiological functions. However, the molecular mechanism behind the physiological process performed by TDP-43 is not well understood. The current review discusses the plausible molecular mechanism of phase separation, aggregation, and prion-like propagation of TDP-43.

}, keywords = {Amyloid versus non-amyloid, Coacervation, Environmental conditions, Prion-like seeding, Structural heterogeneity, Thermodynamic and kinetic mechanism}, issn = {0301-4622}, doi = {10.1016/j.bpc.2023.106972}, author = {Doke, Abhilasha A. and Jha, Santosh Kumar} } @article {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 {48433, title = {Synthesis, characterization and post-modification of aromatic (Co)polyesters possessing pendant maleimide groups}, journal = {High Performance Polymers}, volume = {35}, year = {2023}, month = {SEP}, type = {Article}, abstract = {

A new series of (co)polyesters possessing pendent maleimide groups was synthesized by low temperature solution polycondensation of 4, 4{\textquoteright}-(5-maleimidopentane-2, 2-diyl) diphenol (BPA-MA) with isophthalic acid chloride (IPC), terephthalic acid chloride (TPC) and a mixture of TPC and IPC (50:50\ mol \%). Copolyesters were also synthesized by polycondensation of varying compositions of BPA-MA and bisphenol-A (BPA) with IPC. The chemical structures and compositions of (co)polyesters were confirmed by NMR spectroscopy. Inherent viscosity values and number-average molecular weights of (co)polyesters were in the range 0.50{\textendash}0.76\ dL/g and 17,700-32,100\ g/mol, respectively, indicating the formation of reasonably high molecular weight polymers. (Co)polyesters were readily soluble in common organic solvents and could be cast into tough, transparent and flexible films from chloroform solutions. (Co)polyesters exhibited 10\% weight loss and glass transition temperatures in the range 464{\textendash}468 and 142{\textendash}178{\textdegree}C, respectively. A representative copolyester possessing pendant maleimide groups was chemically modified\ via\ metal-free azide-maleimide 1,3-dipolar cycloaddition click reaction with two azido compounds, namely, (azidomethyl)benzene (Bz-N3) and 1-(azidomethyl)-pyrene (Py-N3) to yield corresponding modified copolyesters in a quantitative manner.

}, author = {Jadhav, Uday A. and Nagane, Samadhan S. and Wadgaonkar, Prakash P.} } @article {48453, title = {Synthesis of N-oxyethylene substituted imidazolium-based zwitterions as a recyclable solvent for cellulose dissolution}, journal = {Cellulose}, volume = {30}, year = {2023}, month = {JAN}, pages = {87-109}, type = {Article}, abstract = {

Cellulose is a readily available, renewable, and natural biomaterial that has the potential to replace synthetic fibres. However, their processing to shaped materials such as fibre or film is still complex and restricted due to its insolubility in most conventional solvents. Herein, we present the synthesis and cellulose dissolution characteristics of a new class of recyclable zwitterions composed of tethered N-oxyethylene substituted imidazolium cation and alkyl carboxylate anion. Investigations on cellulose dissolution showed that increasing the alkyl chain length of carboxylate anion and introduction of oxyethylene unit on imidazolium ring led to better cellulose dissolution ability, and up to 12\% (w/w) cellulose could be dissolved in aqueous zwitterions at 105 degrees C. The thermal behavior of zwitterions and their cellulose solutions was characterized by TGA and found to be more stable than the NMMO and Lyocell solutions. Rheological characterization of cellulose solutions revealed viscoelastic behavior and zero shear viscosity of 6-12\% (w/w) cellulose solution in hexanoate containing aqueous zwitterion was 555 to 5900 Pa.s at 120 degrees C. The characteristics of cellulose solution indicate its potential for processing to cellulose fibre by extrusion through a tiny spinneret. Physico-chemical analysis of regenerated cellulose indicates that zwitterions cause no adverse effect on cellulose structure and morphology during dissolution. The zwitterions are recovered after the cellulose regeneration process, and the recovery was found to be 99.6\% after purification using the ion-exchange method.

}, keywords = {Carboxylate anion, Cellulose dissolution, Oxyethylene unit, Regenerated cellulose, Rheology, zwitterions}, issn = {0969-0239}, doi = {10.1007/s10570-022-04883-1}, author = {Jadhav, Sachin and Ganvir, Vivek and Singh, Madan Kumar and Shanmuganathan, Kadhiravan} } @article {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 {48725, title = {Thermodynamic modulation of folding and aggregation energy landscape by DNA binding of functional domains of TDP-43}, journal = {Biochimica Et Biophysica Acta-Proteins and Proteomics}, volume = {1871}, year = {2023}, month = {JUL }, pages = {140916}, type = {Article}, abstract = {

TDP-43 is a vital nucleic acid binding protein which forms stress-induced aberrant aggregates in around 97\% cases of ALS, a fatal neurodegenerative disease. The functional tandem RRM domain of the protein (TDP-43tRRM) has been shown to undergo amyloid-like aggregation under stress in a pH-dependent fashion. However, the underlying thermodynamic and molecular basis of aggregation and how the energy landscape of folding, stability, and aggregation are coupled and modulated by nucleic acid binding is poorly understood. Here, we show that the pH stress thermodynamically destabilizes the native protein and systematically populates the unfoldedlike aggregation-prone molecules which leads to amyloid-like aggregation. We observed that specific DNA binding inhibits aggregation and populates native-like compact monomeric state even under low-pH stress as measured by circular dichroism, ANS binding, size exclusion chromatography, and transmission electron microscopy. We show that DNA-binding thermodynamically stabilizes and populates the native state even under stress and reduces the population of unfolded-like aggregation-prone molecules which leads to systematic aggregation inhibition. Our results suggest that thermodynamic modulation of the folding and aggregation energy landscape by nucleic-acid-like molecules could be a promising approach for effective therapeutic intervention in TDP-43-associated proteinopathies.

}, keywords = {Amyloid-like aggregation, Nucleic acid binding, RNA recognition motifs (RRMs), TDP-43, Thermodynamic stability}, issn = {1570-9639}, doi = {10.1016/j.bbapap.2023.140916}, author = {Patni, Divya and Jha, Santosh Kumar} } @article {48306, title = {Trehalose transporter-like gene diversity and dynamics enhances stress response and recovery in Helicoverpa armigera}, journal = {Gene}, volume = {862}, year = {2023}, month = {APR}, pages = {147259}, type = {Article}, abstract = {

Trehalose is a primary sugar and its distribution across the insect body, regulated by trehalose transporters (TRETs), is essential for sugar metabolism and energy homeostasis. The large diversity of Tret-like sugar trans-porters (ST), belonging to SLC2A transporter family, in polyphagous insects probably contributes to their extremely adaptive nature. We aim to study spatio-temporal expression dynamics and functional relevance of ST transcript variants in the lepidopteran model organism, Helicoverpa armigera. Identification of 69 putative Tret-like HaST transcript variants from databases and their digital gene expression analysis indicated tissue and development-specific expression patterns. Phylogenetic and sequence similarity network analysis of HaSTs signify evolutionary divergence, while motif and structure analysis depicted conserved signatures. In vitro gene expression validation for selected genes depicts that HaST09 and 69 are fat body and haemolymph-specific. While, HaST06, 30, 36 and 57 are developmental stage or sex-specific. HaST69 has high expression in the haemolymph of fifth instar larvae. In the presence of trehalose metabolism inhibitors and abiotic stress, HaSTs expression show dysregulation, indicating their possible association with trehalose metabolism and stress re-covery. In vivo gene silencing of HaST69 resulted in reduced trehalose accumulation in the insect body, sug-gesting its plausible role in sugar metabolism. The overall understanding of HaST diversity and expression dynamics highlights their putative roles in sugar transport during adaptation and stress recovery of insects.

}, keywords = {Gene expression, Helicoverpa armigera, Stress, Transporter-like, trehalose}, issn = {0378-1119}, doi = {10.1016/j.gene.2023.147259}, author = {Tellis, Meenakshi B. and Chaudhari, Bhagyashri Y. and Deshpande, Shweta V. and Nikam, Sanika V. and Barvkar, Vitthal T. and Kotkar, Hemlata M. and Joshi, Rakesh S.} } @article {48286, title = {Understanding the stability of an unprecedented Si-Be bond within quantum confinement}, journal = {ACS Omega}, volume = {8}, year = {2023}, month = {APR}, pages = {14814-14822}, type = {Article}, abstract = {

As of today, the Si-Be bond remains underexplored in the literature, and therefore its anomalous behavior continues to be an unsolved puzzle to date. Therefore, the present study aims at evaluating the integrity of an unprecedented Si-Be bond within quantum confinement. To accomplish this, first-principles-based calculation are performed on Be-doped silicon clusters with atomic sizes 6, 7, and 10. Silicon clusters are sequentially doped with one, two, and three Be atoms, and their thermal response is registered in the temperature range of 200-1500 K, which discloses several research findings. During the course of the simulations, the clusters face various thermal events such as solid cluster phase, rapid structural metamorphosis, and fragmentation. Si-Be nanoalloy clusters are noted to be thermally stable at lower temperatures (200-700 K); however, they begins to disintegrate earlier at a temperature as low as 800 K. This lower stability is attributed to the weak nature of Si and Be heteroatomic interactions, which is corroborated from the structural and electronic property analysis of the doped clusters. In addition to this, the performance of Be-doped clusters at finite temperatures is also compared with the thermal response of two other popular systems, viz., C-and B-doped silicon clusters.

}, issn = {2470-1343}, doi = {10.1021/acsomega.3c01133}, author = {Maneri, Asma Harun and Krishnamurty, Sailaja and Joshi, Krati} } @article {49230, title = {Adsorption based downstream processing approach for penicillin V from a Penicillium chrysogenum BIONCL I22 culture filtrate}, journal = {ACS Omega}, volume = {9}, year = {2024}, month = {JUN }, pages = {25859-25869}, type = {Article}, abstract = {

Penicillin V (phenoxy methyl penicillin) is highly sought after among natural penicillins because of its exceptional acid stability and effectiveness against common skin and respiratory infections. Given its wide-ranging therapeutic uses, there is a need to establish a greener method for its maximum recovery to reduce the carbon footprint. Here, we have identified and validated optimized operational conditions for resin-based penicillin V recovery. It was observed that Amberlite XAD4 had the highest penicillin V hydrophobic adsorption capacity among the other screened resins. Kinetic and isothermal studies using linear and nonlinear regression analysis showed that the adsorption process well fitted with pseudo-second-order kinetics (R-2 = 0.9816) and the Freundlich adsorption isotherm model (R-2 = 0.9871). Adsorption equilibrium was attained within 4 h, while maximum adsorption was observed at 3 mg/mL penicillin V concentration. Furthermore, the optimized extraction protocol was compared with the conventional butyl acetate-based downstream processing. Under optimum conditions resin-based penicillin V recovery was 2-fold higher as compared to the solvent extraction method and the resin could be reused for over six cycles without compromising the yield. These findings signify substantial progress toward the development of an environmentally sustainable approach for penicillin V recovery and a potentially viable method for extractive fermentation.

}, issn = {2470-1343}, doi = {10.1021/acsomega.4c00251}, author = {Mishal, Bela H. and Das, Sancharini and Mahajan, Vaishnavi N. and Dharne, Mahesh S. and Joshi, Rakesh S. and Giri, Ashok P.} } @article {49276, title = {Alternative synthetic route for the pharmacophore of anticancer agent: triazolopyridazine derivative}, journal = {Tetrahedron Letters}, volume = {146}, year = {2024}, month = {AUG}, pages = {155193}, type = {Article}, abstract = {

ATAD2 has received attention as one of the potential oncogene with tumor-promoting aspects in many malignancies. ATAD2 is a highly conserved bromodomain family protein that exerts its biological functions by mainly AAA ATPase and bromodomain. Several small molecule inhibitors have been described in the literature. AZ13824374 (1) recently reported by Holt and co-workers showed promising in vitro (bio-chemical, cellular) and antiproliferative activity in range of breast cancer models. In this work, we described scalable synthetic route for triazolopyridazine derivative (2), a key intermediate of AZ13824374 (1) without using CO in the process. Triazolopyridazine helps to attain the bioactive conformation for AZ13824374 (1) through its crucial interaction with Tyr 1021 of ATAD2. Additionally, triazolopyridazine is extensively used as an intermediate for anticancer agents. This encouraged us to develop cost-effective and scalable process for it.

}, keywords = {Alternative process, Anticancer, Triazolopyridazine}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2024.155193}, author = {Karche, Ranjit S. and Bankar, Shubham R. and Jadhav, Vrushali H.} } @article {49367, title = {Aluminium, nitrogen-dual-doped reduced graphene oxide Co-existing with cobalt-encapsulated graphitic carbon nanotube as an activity modulated electrocatalyst for oxygen electrocatalyst for oxygen electrochemistry applications}, journal = {Small}, volume = {20}, year = {2024}, month = {AUG}, type = {Article}, abstract = {

There is a rising need to create high-performing, affordable electrocatalysts in the new field of oxygen electrochemistry. Here, a cost-effective, activity-modulated electrocatalyst with the capacity to trigger both the oxygen reduction reaction (ORR) and the oxygen evolution reaction (OER) in an alkaline environment is presented. The catalyst (Al, Co/N-rGCNT) is made up of aluminium, nitrogen-dual-doped reduced graphene oxide sheets co-existing with cobalt-encapsulated carbon nanotube units. Based on X-ray Absorption Spectroscopy (XAS) studies, it is established that the superior reaction kinetics in Al, Co/N-rGCNT over their bulk counterparts can be attributed to their electronic regulation. The Al, Co/N-rGCNT performs as a versatile bifunctional electrocatalyst for zinc-air battery (ZAB), delivering an open circuit potential approximate to 1.35 V and peak power density of 106.3 mW cm-2, which are comparable to the system based on Pt/C. The Al, Co/N-rGCNT-based system showed a specific capacity of 737 mAh gZn-1 compared to 696 mAh gZn-1 delivered by the system based on Pt/C. The DFT calculations indicate that the adsorption of Co in the presence of Al doping in NGr improves the electronic properties favoring ORR. Thus, the Al, Co/N-rGCNT-based rechargeable ZAB (RZAB) emerges as a highly viable and affordable option for the development of RZAB for practical applications. This manuscript reports the development of a new bifunctional catalyst that exhibits high activity and stability under practical operating conditions. The catalyst (Al, Co/N-rGCNT) is made up of aluminium, nitrogen-dual-doped reduced graphene oxide sheets co-existing with the in situ formed cobalt-encapsulated CNT units is synthesized by a scalable pyrolysis method in an inert Ar atmosphere. The developed electrocatalyst achieved enhanced the oxygen reduction reaction (ORR) and the oxygen evolution reaction OER activity as a result of the favorable synergistic modulations and the system can serve as a process-friendly air-electrode for rechargeable zinc-air battery (RZAB). image

}, keywords = {Al, Bifunctional catalyst, DFT study, encapsulated structure, N-dual doping, Oxygen Evolution Reaction, oxygen reduction reaction, rechargeable zinc-air battery, X-ray absorption spectroscopy}, issn = {1613-6810}, doi = {10.1002/smll.202400012}, author = {Kharabe, Geeta Pandurang and Barik, Sidharth and Veeranmaril, Sudheesh Kumar and Nair, Aathira and Illathvalappil, Rajith and Yoyakki, Athira and Joshi, Kavita and Vinod, Chathakudath Prabhakaran and Kurungot, Sreekumar} } @article {48934, title = {Aniline and indoline donors based far-red active unsymmetrical squaraine dyes for dye sensitized solar cells}, journal = {Chemphotochem}, volume = {8}, year = {2024}, month = {FEB}, type = {Article}, abstract = {

In dye-sensitized solar cells (DSSC), controlling the dye-aggregation on the metal-oxide surface by appending the alkyl groups around the donor or pi-spacer unit of the dye is a potential approach to enhance DSSC efficiency. Further, rigidification of the dye structures by cyclization modulates the photophysical properties of the sensitizer. Here a series of donor-acceptor-donor (D-A-D) type far-red active unsymmetrical squaraine dyes (SQA) have been designed and synthesized, where N,N-dimethylaniline, methylated- and branched-indoline have been used as donor units. These dyes showed absorption between 629-654 nm (lambda max) with the molar extinction coefficient of 1.49-1.94x105 M-1 cm-1. Systematic enhancements in DSSC device efficiency have been observed due to the cyclization and alkyl-groups incorporation in this set of dyes which were further enhanced with the addition of chenodeoxycholic acid (CDCA). The highest DSSC device efficiency of 4.78 \% (Jsc of 8.77 mA/cm2 and Voc of 692 mV) has been achieved for SQA3. The IPCE profile of SQA dyes indicates the contribution of aggregated structures for the photocurrent generation. Further, co-sensitization of SQA3 dye with a complementary visible light active dye AK4 showed the enhanced device efficiency of 6.27 \% with panchromatic IPCE response. Dye rigidification, and controlled aggregation of dyes on TiO2 by means of cyclization of donor unit and introducing the alkyl groups in the dye structure synergistically improve the dye-sensitized solar cell (DSSC) device performance. Donor-Acceptor-Donor (D-A-D) based unsymmetrical squaraine dye SQA3 showed the DSSC device performance of 4.78 \%.image

}, keywords = {co-sensitization, dye-sensitized solar cell, effect of alkyl chain, molecular planarity, squaraine dye}, issn = {2367-0932}, doi = {10.1002/cptc.202300160}, author = {Jadhav, Avinash P. and Singh, Ambarish Kumar and Maibam, Ashakiran and Krishnamurty, Sailaja and Krishnamoorthy, Kothandam and Nithyanandhan, Jayaraj} } @article {49062, title = {architecturally rational hemostat for rapid stopping of massive bleeding on anticoagulation therapy}, journal = {Proceedings of the National Academy of Sciences of the United States of America}, volume = {121}, year = {2024}, month = {JAN}, pages = {e2316170121}, type = {Article}, abstract = {

Hemostatic devices are critical for managing emergent severe bleeding. With the increased use of anticoagulant therapy, there is a need for next- generation hemostats. We rationalized that a hemostat with an architecture designed to increase contact with blood, and engineered from a material that activates a distinct and undrugged coagulation pathway can address the emerging need. Inspired by lung alveolar architecture, here, we describe the engineering of a next- generation single - phase chitosan hemostat with a tortuous spherical microporous design that enables rapid blood absorption and concentrated platelets and fibrin microthrombi in localized regions, a phenomenon less observed with other classical hemostats without structural optimization. The interaction between blood components and the porous hemostat was further amplified based on the charged surface of chitosan. Contrary to the dogma that chitosan does not directly affect physiological clotting mechanism, the hemostat induced coagulation via a direct activation of platelet Toll - like receptor 2. Our engineered porous hemostat effectively stopped the bleeding from murine liver wounds, swine liver and carotid artery injuries, and the human radial artery puncture site within a few minutes with significantly reduced blood loss, even under the anticoagulant treatment. The integration of engineering design principles with an understanding of the molecular mechanisms can lead to hemostats with improved functions to address emerging medical needs.

}, keywords = {biomaterial, clotting, hemostasis, hemostat, trauma}, issn = {0027-8424}, doi = {10.1073/pnas.2316170121}, author = {Lee, Vivian K. and Lee, Taewoo and Ghosh, Amrit and Saha, Tanmoy and Bais, V. Manish and Bharani, Kala Kumar and Chag, Milan and Parikh, Keyur and Bhatt, Parloop and Namgung, Bumseok and Venkataramanan, Geethapriya and Agrawal, Animesh and Sonaje, Kiran and Mavely, Leo and Sengupta, Shiladitya and Mashelkar, Raghunath Anant and Jang, Hae Lin} } @article {49406, title = {Aroma Alchemy: uridine diphosphate-dependent glycosyltransferases mediated regulation of fruit aroma and flavor biosynthesis}, journal = {Phytochemistry Reviews}, year = {2024}, month = {DEC}, type = {Review; Early Access}, abstract = {

The aroma compounds contribute to fruits flavor, taste, and nutritional value. These compounds include various chemical classes such as terpenoids, lactones, ketones, esters, acids, alcohols, and their derivatives. Uridine diphosphate-dependent glycosyltransferases (UGTs) modify these compounds by covalently adding one or multiple sugar molecules. This glycosylation process converts volatile, unstable, and hydrophobic aroma compounds into hydrophilic, stable, and slow-releasing reservoirs of fruit flavor. The diversity and spatio-temporal expression patterns of UGTs play a crucial role in forming a wide range of glycosylated aroma compounds. This review focuses on aroma-related compounds in both free and glycosylated-bound forms found in commercial vital fruits. We discuss various fruit-specific UGTs and their role in the glycosylation of aroma compounds. Based on structural and functional information on UGTs, we have assessed sugar donor specificity and the residues responsible for the same. Moreover, phylogenetic analysis of characterized UGTs provides insights into their substrate preferences. We also surveyed the expression dynamics of UGTs during fruit ripening, as the switching between aglycon and glycosylated-bound forms of aroma compounds significantly impacts fruit quality. Potential applications of UGTs in the food and fragrance industry have been discussed. The information reviewed could be beneficial for developing novel methods for flavor manipulation of commercially important glycosides derived from natural resources.

}, keywords = {Aroma, Flavor, Fruit, Glycoconjugates, Glycosyltransferase, Volatile compounds}, issn = {1568-7767}, doi = {10.1007/s11101-024-10049-7}, author = {Vare, Tejas B. and Joshi, Rakesh S. and Giri, Ashok P.} } @article {49104, title = {Article chitinase inhibition induces transcriptional dysregulation altering ecdysteroid-mediated control of spodoptera frugiperda development}, journal = {Iscience}, volume = {27}, year = {2024}, month = {MAR }, type = {Article}, abstract = {

Chitinases and ecdysteroid hormones are vital for insect development. Crosstalk between chitin and ecdysteroid metabolism regulation is enigmatic. Here, we examined chitinase inhibition effect on Spodopsilencing and overexpression resulted in ecdysone receptor deregulation. Transcription factors, like Neverland, and other ecdysteroid biosynthesis genes might lead to their upregulation in berberine-fed chitinase activity{\textquoteright}s impact on ecdysone biosynthesis and its transcriptional crosstalk.

}, doi = {10.1016/j.isci.2024.109280}, author = {Barbole, Ranjit S. and Sharma, Shivani and Patil, Yogita and Giri, Ashok P. and Joshi, Rakesh S.} } @article {49391, title = {Atmospheric-pressure continuous-flow methane oxidation to methanol and acetic acid using H2O2 over the Au-Fe catalyst}, journal = {ACS SUSTAINABLE CHEMISTRY \& ENGINEERING}, volume = {12}, year = {2024}, month = {MAY }, pages = {8958-8967}, type = {Journal Article}, keywords = {CO oxidation, HIGHLY SELECTIVE OXIDATION, metal-organic frameworks}, issn = {2168-0485}, doi = {10.1021/acssuschemeng.4c02993}, author = {Jagtap, Anuradha V. and Kumar, Pawan and Gupta, Sharad and Nagendra, Abharana and Jha, Shambhu Nath and Bhattacharyya, D. and Ajithkumar, Thalasseril G. and Vinod, C. P.} } @article {49315, title = {Bacterial nanocellulose: a versatile biopolymer production using a cost-effective wooden disc based rotary reactor}, journal = {Biopolymers}, volume = {115}, year = {2024}, month = {JUL}, type = {Article}, abstract = {

Bacterial nanocellulose (BNC) has various unique qualities, including high mechanical strength, crystallinity, and high water-holding capacity, which makes it appropriate for a wide range of industrial applications. But its lower yield coupled with its high production cost creates a barrier to its usage. In this study, we have demonstrated the better yield of BNC from an indigenous strain Komagataeibacter rhaeticus MCC-0157 using a rotary disc bioreactor (RDB) having a wooden disc. The RDB was optimized based on the type of disc material, distance between the disc, and rotation speed to get the highest yield of 13.0 g/L dry material using Hestrin-Schramm (H-S) medium. Further, the bioreactor was compared for the BNC production using reported medium, which is used for static condition; the RDB showed up to fivefold increase in comparison with the static condition reported. Komagataeibacter rhaeticus MCC-0157 was previously reported to be one of the highest BNC producing stains, with 8.37 g/L of dry yield in static condition in 15 days incubation. The designed RDB demonstrated 13.0 g/L dry yield of BNC in just 5 days. Other characteristics of BNC remain same as compared with static BNC production, although the difference in the crystallinity index was observed in RDB (84.44\%) in comparison with static (89.74\%). For the first time, wooden disc was used for rotary bioreactor approach, which demonstrated higher yield of BNC in lesser time and can be further used for sustainable production of BNC at the industrial level. image

}, keywords = {bacterial nanocellulose, rotary reactor, Sustainability, wooden disc}, issn = {0006-3525}, doi = {10.1002/bip.23577}, author = {Jagtap, Ashish and Dastager, Syed G.} } @article {49257, title = {Biocatalysis enables the scalable conversion of biobased furans into various furfurylamines}, journal = {NATURE COMMUNICATIONS}, volume = {15}, year = {2024}, month = {JUL }, type = {Journal Article}, keywords = {Biomass, OMEGA-TRANSAMINASE, OXIDASE, Reductive amination, SPECIFICITY}, doi = {10.1038/s41467-024-50637-x}, author = {Giri, Pritam and Lim, Seonga and Khobragade, Taresh P. and Pagar, Amol D. and Patil, Mahesh D. and Sarak, Sharad and Jeon, Hyunwoo and Joo, Sangwoo and Goh, Younghwan and Jung, Seohee and Jang, Yu-Jeong and Choi, Seung Beom and Kim, Ye Chan and Kang, Taek Jin and Heo, Yong-Seok and Yun, Hyungdon} } @article {49100, title = {Boron- and oxygen-doped π-extended helical nanographene with circularly polarised thermally activated delayed fluorescence}, journal = {Chemistry-A European Journal}, volume = {30}, year = {2024}, month = {APR }, type = {Article}, abstract = {

Helical nanographenes have garnered substantial attention owing to their finely adjustable optical and semiconducting properties. The strategic integration of both helicity and heteroatoms into the nanographene structure, facilitated by a boron-oxygen-based multiple resonance (MR) thermally activated delayed fluorescence (TADF), elevates its photophysical and chiroptical features. This signifies the introduction of an elegant category of helical nanographene that combines optical (TADF) and chiroptical (CPL) features. In this direction, we report the synthesis, optical, and chiroptical properties of boron, oxygen-doped pi-extended helical nanographene. The pi-extension induces distortion in the DOBNA-incorporated nanographene, endowing a pair of helicenes, (P)-B2NG, and (M)-B2NG exhibiting circularly polarized luminescence with glum of -2.3x10-3 and +2.5x10-3, respectively. B2NG exhibited MR-TADF with a lifetime below 5 mu s, and a reasonably high fluorescence quantum yield (50 \%). Our molecular design enriches the optical and chiroptical properties of nanographenes and opens up new opportunities in multidisciplinary fields. B, O-doped pi-extended helical nanographene has been explored for its optical and chiroptical properties. The presence of helical and nanographene segments stabilize the helicity and imparts tunable optical properties. Helical nanographene display circularly polarized thermally activated delayed fluorescence. image

}, keywords = {circularly polarized luminescence, DOBNA, dual emission, nanographene, TADF}, issn = {0947-6539}, doi = {10.1002/chem.202304169}, author = {Venugopal, Geethu and Kumar, Viksit and Jadhav, Ashok Badrinarayan and Dongre, Sangram D. and Khan, Abujunaid and Gonnade, Rajesh and Kumar, Jatish and Santhosh Babu, Sukumaran} } @article {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 {49317, title = {Catechol- and phenolic hydroxyl-functionalized partially bio-based (Co) poly(ether sulfone)s with multifarious applicability}, journal = {European Polymer Journal}, volume = {220}, year = {2024}, month = {NOV}, pages = {113484}, type = {Article}, abstract = {

A largely bio-based new bisphenol, namely, 4,4 {\textquoteleft}-((3,4-dimethoxyphenyl)methylene)-bis(2-methoxyphenol) (DMBM) was synthesized by the reaction of veratraldehyde with guaiacol. DMBM and varying compositions of DMBM and bisphenol A were polycondensed with bis(4-fluorophenyl) sulfone to afford reasonably high molecular weight film-forming (co)poly(ether sulfone)s possessing built-in methoxyl groups. T10 and Tg values of (co)poly(ether sulfone)s were in the range 382-478 degrees C and 171-187 degrees C, respectively indicating their good thermal stability and the values decreased with increase in mol \% incorporation of DMBM. The methoxyl groups present in (co)poly (ether sulfone)s were quantitatively de-blocked resulting in the formation of corresponding polymers possessing pendant catechol moieties and free phenolic hydroxyl groups. By virtue of the presence of these functional moieties, (co)poly(ether sulfone)s are amenable for post-polymerization modifications, and exhibited properties such as antimicrobial (23 mm against Staphylococcus aureus and 18 mm against Escherichia coli)), antioxidant (72 \% scavenger of free radicals), adhesive (2.24 MPa lap shear strength) and usefulness as redox-active agent in zinc-ion batteries. These data underscore the promise of DMBM as a versatile monomer of wider utility for the synthesis of functional (co)poly(ether sulfone)s capable of expanding their applicability beyond the conventional ones.

}, keywords = {(Co)poly(ether sulfone)s, adhesive, Antimicrobial, Antioxidant, bio-based, bisphenol, Zinc-ion batteries}, issn = {0014-3057}, doi = {10.1016/j.eurpolymj.2024.113484}, author = {Wale, Apparav K. and Jagtap, Ashish S. and Pandey, Priyanshi R. and Dastager, Syed G. and Shelke, Manjusha V. and Ambade, Ashootosh V. and Wadgaonkar, Prakash P.} } @article {49426, title = {Chitosan nanoparticles for single and combinatorial delivery of 5-fluorouracil and ursolic acid for hepatocellular carcinoma}, journal = { Emergent Materials}, year = {2024}, month = {OCT}, type = {Article}, abstract = {

Hepatocellular carcinoma (HCC) remains a significant global health challenge with limited therapeutic options. Chemotherapy has major limitations, leading to a paradigm shift towards nanomedicines. In this study, we aimed to synthesize single and dual drug-loaded chitosan nanoparticles (CSNPs) containing 5-fluorouracil (5-FU) and ursolic acid (UA) for spatial and controlled delivery against HCC. We synthesized CSNPs by a modified bottom-up ionic gelation method and optimized various parameters to formulate particles with smaller sizes, uniform size distribution, and high surface charge for intra-arterial infusion for HCC. The characterization techniques confirmed a monodisperse population of smaller sized particles with average sizes, as determined from transmission electron microscopy (TEM), as 45.25 {\textpm} 11.58, 105.66 {\textpm} 10.96, 176 {\textpm} 16.46, and 220 {\textpm} 21.37\ nm for CSNPs, 5-FU-CSNPs, UA-CSNPs and 5FU + UA-CSNPs respectively. These formulations exhibited excellent encapsulation of the drugs, with an initial pH-dependent rapid release of 5-FU followed by a subsequent slower and sustained release, while showing pH-dependent slow and controlled release of UA. The in vitro cell viability assay established the highest anticancer potential for 5FU + UA-CSNPs, followed by 5-FU-CSNPs and UA-CSNPs, and the lowest for plain drugs in the Hep3B cell line. An increased uptake of both the drugs in CSNPs substantiated the supremacy of these formulations over the plain drugs as drug delivery agents. These findings suggest that 5FU + UA-CSNPs, a novel formulation, works as a potent therapeutic agent against HCC, supporting our hypothesis of co-loading 5-FU and UA in CSNPs can effectively manage HCC, with particle attributes fit for administration via intra-arterial infusion.

}, doi = {https://doi.org/10.1007/s42247-024-00857-0}, author = {Jaiswal, Neha and Pawar, Anil T. and Chaudhari, Bhushan P.} } @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 {49373, title = {Conformational enigma of TDP-43 misfolding in neurodegenerative disorders}, journal = {ACS OMEGA}, volume = {9}, year = {2024}, month = {SEP}, pages = {40286-40297}, type = {Review}, keywords = {DNA-BINDING PROTEIN, FRONTOTEMPORAL LOBAR DEGENERATION}, issn = {2470-1343}, doi = {10.1021/acsomega.4c04119}, author = {Pillai, Meenakshi and Jha, Santosh Kumar} } @article {49061, title = {Continuous flow synthesis of mesoporous silica particles with tunable size and structure}, journal = {Industrial and Engineering Chemistry Research}, volume = {63}, year = {2024}, month = {JAN}, pages = {1843-1852}, type = {Article}, abstract = {

We have developed a continuous process to prepare mesoporous silica particles of different sizes and narrow size distribution in a tubular reactor. The method is based on the use of well-known Stober synthesis in the presence of cationic surfactant in methanol-water solvent system and trimethylbenzene as pore swelling agent to form porous silica particles. We observed that reaction parameters had enormous effects on particle size, distribution, and numerous morphological aspects. We demonstrated that these properties may be modified by adjusting the reaction temperature, base concentration, and surfactant concentration. MSPs of spherical morphology with variable size from 400 to 1000 nm produced with the surface area \>600 m(2)/g and pore diameter of 2-4 nm. Large scale production is demonstrated by increasing reactor volume using 1/4 in. PTFE tubing from 20 to 163 mL, with this production of MSPs increased from 0.35 to 3 g/h. The method has been extended for high yield production at the kilogram scale using this approach, which will pave the way toward the industrialization of mesoporous silica based materials.

}, issn = {0888-5885}, doi = {10.1021/acs.iecr.3c03304}, author = {Jundale, Rajashri B. and Prasad, Bhagavatula L. V. and Devi, R. Nandini and Kulkarni, Amol A.} } @article {48948, title = {Copper-mediated [3+2] oxidative cyclization of oxime acetate and its utility in the formal synthesis of fentiazac}, journal = {Organic and biomolecular chemistry}, volume = {22}, year = {2024}, month = {JAN }, pages = {521-528}, type = {Article}, abstract = {

A new protocol for the direct synthesis of 2-aminothiazole has been developed from oxime acetate and readily available sodium thiocyanate using a copper catalyst. The present transformation has good functional group tolerance. Various thiazoles were smoothly synthesized in good to excellent yields. The applicability of the present method has been extended to the formal synthesis of the non-steroidal and anti-inflammatory drug, fentiazac via the Sandmeyer reaction and Suzuki coupling. The direct synthesis of 2-aminothiazole has been developed from oxime acetate using a copper catalyst. The applicability of the present method is used in the formal synthesis of fentiazac.

}, keywords = {Biological evaluation, C-H functionalization, Vinylazides}, issn = {1477-0520}, doi = {10.1039/d3ob01882b}, author = {Jadhao, Nitin L. and Musale, Harish B. and Gajbhiye, Jayant M. and Humne, Vivek T.} } @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 {49250, title = {Deciphering the monomeric and dimeric conformational landscapes of the full-length TDP-43 and the impact of the C-terminal domain}, journal = {ACS Chemical Neuroscience}, volume = {15}, year = {2024}, month = {NOV}, pages = {4305-4321}, type = {Article}, abstract = {

The aberrant aggregation of TAR DNA-binding protein 43 kDa (TDP-43) in cells leads to the pathogenesis of multiple fatal neurodegenerative diseases. Decoding the proposed initial transition between its functional dimeric and aggregation-prone monomeric states can potentially design a viable therapeutic strategy, which is presently limited by the lack of structural detail of the full-length TDP-43. To achieve a complete understanding of such a delicate phase space, we employed a multiscale simulation approach that unearths numerous crucial features, broadly summarized in two categories: (1) state-independent features that involve inherent chain collapsibility, rugged polymorphic landscape dictated by the terminal domains, high beta-sheet propensity, structural integrity preserved by backbone-based intrachain hydrogen bonds and electrostatic forces, the prominence of the C-terminal domain in the intrachain cross-domain interfaces, and equal participation of hydrophobic and hydrophilic (charged and polar) residues in cross-domain interfaces; and (2) dimerization-modulated characteristics that encompass slower collapsing dynamics, restricted polymorphic landscape, the dominance of side chains in interchain hydrogen bonds, the appearance of the N-terminal domain in the dimer interface, and the prominence of hydrophilic (specifically polar) residues in interchain homo- and cross-domain interfaces. In our work, the ill-known C-terminal domain appears as the most crucial structure-dictating domain, which preferably populates a compact conformation with a high beta-sheet propensity in its isolated state stabilized by intrabackbone hydrogen bonds, and these signatures are comparatively faded in its integrated form. Validation of our simulated observables by a complementary spectroscopic approach on multiple counts ensures the robustness of the computationally predicted features of the TDP-43 aggregation landscape.

}, keywords = {chain collapsibility, domain-wisefluctuation, electrostatic dominance, hydrogen bond switchability, long-range crosstalk, persistent beta-character, protagonistic C-terminal domain, rugged phase space}, issn = {1948-7193}, doi = {10.1021/acschemneuro.4c00557}, author = {Tammara, Vaishnavi and Doke, Abhilasha A. and Jha, Santosh Kumar and Das, Atanu} } @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 {49222, title = {Direct oxidation of alcohols to carboxylic acids using simple and economical Pd@Glu-HTC catalyst: practical and scalable approach towards biomass based value added chemicals}, journal = {Biomass \& Bioenergy}, volume = {187}, year = {2024}, month = {AUG}, pages = {107290}, type = {Article}, abstract = {

Sustainable catalytic transformation of bio-based alcohols to high value-added fine chemicals is an important topic of research. This work described preparation of simple and economical Pd@Glu-HTC catalyst from biomass derived low cost D-glucose. Hydrothermal carbonization of glucose was carried out in first step to synthesize GluHTC support in a simpler, greener, economical and efficient manner followed by incorporation of palladium metal on surface of the catalyst in second step. The catalyst was characterized using techniques such as Fourier Transform Infrared Spectroscopy (FT-IR), Solid-state Cross-Polarization Magic Angle Spinning Carbon-13 (13C CPMAS), Energy-dispersive X-ray spectroscopy (EDAX), Powder X-ray diffraction (P-XRD), X-ray photoelectron spectroscopy (XPS), Thermogravimetric/Differential Thermal Analyzer (TG-DTA), Field emission scanning electron microscopy (FE-SEM) and High-resolution transmission electron microscopy (HR-TEM). The catalyst was evaluated for direct oxidation of alcohols to yield carboxylic acids and exhibited very good catalytic activity for wider substrate scope. Oxidation of alcohols was carried out using milder base, molecular oxygen and water as a solvent to achieve 92-99 \% excellent yields. The practical utility of current strategy was also studied for gram scale synthesis of bio-based value added industrially important chemicals such as furoic acid (flavouring agent and preservative in industry), 2, 5-furan-dicarboxylic acid (monomer to 100 \% fossil-free, recyclable polymer polyethylene furanoate (PEF), tetrahydro-2-furoic acid (production of many drugs) and vanillin (important product of flavor and fragrance industry). Pd@Glu-HTC catalyst was found to be reusable for four recycles and the catalytic performance was retained without any loss in its activity after four cycles.

}, keywords = {Bio-based chemicals, Carbonaceous catalyst, Carboxylic acid, Oxidation}, issn = {0961-9534}, doi = {10.1016/j.biombioe.2024.107290}, author = {Kirdant, Swapnali P. and Bankar, Shubham R. and Jadhav, Vrushali H.} } @article {49337, title = {DNA-mediated formation of phase-separated coacervates of the nucleic acid-binding domain of TAR DNA-binding protein (TDP-43) prevents its amyloid-like misfolding}, journal = {ACS Chemical Neuroscience}, volume = {15}, year = {2024}, month = {OCT }, pages = {4105-4122}, type = {Article}, abstract = {

Sequestration of protein molecules and nucleic acids to stress granules is one of the most promising strategies that cells employ to protect themselves from stress. In vitro, studies suggest that the nucleic acid-binding domain of TDP-43 (TDP-43tRRM) undergoes amyloid-like aggregation to beta-sheet-rich structures in low pH stress. In contrast, we observed that the TDP-43tRRM undergoes complex coacervation in the presence of ssDNA to a dense and light phase, preventing its amyloid-like aggregation. The soluble light phase consists of monomeric native-like TDP-43tRRM. The microscopic data suggest that the dense phase consists of spherical coacervates with limited internal dynamics. We performed multiparametric analysis by employing various biophysical techniques and found that complex coacervation depends on the concentration and ratio of the participating biomolecules and is driven by multivalent interactions. The modulation of these forces due to environmental conditions or disease mutations regulates the extent of coacervation, and the weakening of interactions between TDP-43tRRM and ssDNA leads to amyloid-like aggregation of TDP-43tRRM. Our results highlight a competition among the native state, amyloid-like aggregates, and complex coacervates tuned by various environmental factors. Together, our results illuminate an alternate function of TDP-43tRRM in response to pH stress in the presence of the ssDNA.

}, keywords = {amyloid-likeaggregation, complex coacervation, DNA-protein interactions, Dynamics, pH stress, TDP-43}, issn = {1948-7193}, doi = {10.1021/acschemneuro.4c00117}, author = {Patni, Divya and Patil, Anjali D. and Kirmire, Mona S. and Jha, Anjali and Jha, Santosh Kumar} } @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 {49637, title = {Effect of transition metals (Mn, Co, Ni, and Zn) in size-controlled metal ferrite nanocrystals on the electrocatalytic oxygen evolution reaction}, journal = {ACS Applied Nano Materials}, volume = {7}, year = {2024}, month = {JUL}, pages = {17776-17785}, type = {Article}, abstract = {

Metal ferrite (MFO) M2+Fe2O4 (M2+ = Mn, Co, Ni, and Zn) nanocrystals (NCs) with a controlled size of similar to 4 nm were synthesized using stearic acid as the capping agent via a facile solvothermal method. The as-synthesized MnFe2O4 (MnFO), CoFe2O4 (CoFO), NiFe2O4 (NiFO), and ZnFe2O4 (ZnFO) NCs were characterized by XRD, FT-IR, Raman, XPS, TGA, TEM, and HRTEM analyses. The electrocatalytic oxygen evolution reaction (OER) is significant for future renewable energy to produce pure hydrogen (H-2) fuels through H2O splitting. However, because of the complex proton-coupled multielectron transfer process, it is kinetically quite challenging. Fe-containing transition metal-based electrocatalysts are well studied since it has been observed that Fe has a significant role in enhancing OER activity. It is well-known that the size and shape of the Fe/ferrite-based nanoelectrocatalyst play a vital role in electrocatalysis reactions. However, it is also critical to understand the effect of other earth-abundant and cost-effective transition metal ions (e.g., Mn, Co, Ni, and Zn) combined with Fe/ferrite NC-based OER electrocatalytic reactions while keeping the size of NCs constant and compare their electrocatalytic properties toward the development of advanced nanoelectrocatalysts, which is rarely studied to the best of the authors knowledge. Therefore, herein, the electrocatalytic properties for OER were examined by using the as-synthesized MnFO, CoFO, NiFO, and ZnFO NCs to understand the effect of metal ions (Mn, Co, Ni, and Zn) on the Fe-based nanoelectrocatalysts by keeping the size of the nanoelectrocatalysts constant at similar to 4 nm. Additionally, the influence of different substrates, e.g., carbon paper (CP) and nickel foam (NF), on the electrocatalytic activity of MFO (MnFO, CoFO, NiFO, and ZnFO) NCs was also compared. Interestingly, as an OER nanoelectrocatalyst, the CoFO NCs on the CP substrate show better electrochemical OER activity than other MFO NCs, with a Tafel slope value of 49.4 mV dec(-1), an ECSA of 112 cm(2), and a long-term stability of 24 h, which is comparatively higher than the other as-synthesized MFO NCs. On the other hand, MnFO NCs on the NF substrate show better electrochemical OER activity than the other as-synthesized MFO NCs. Therefore, this work highlights the effect of the substrate and the influence of transition metals, e.g., Mn, Co, Ni, and Zn, on size-controlled Fe-based nanoelectrocatalysts toward developing advanced OER electrocatalysts.

}, keywords = {Carbonpaper, electrocatalysis, Ferrites, Nickel foam, Oxygen Evolution Reaction, Size-controlled nanocrystals}, doi = {10.1021/acsanm.4c03007}, author = {Jeyavani, Vijayakrishnan and Manoj, Shanmugasundaram and Mukherjee, Shatabdi Porel} } @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 {49379, title = {Efficient electrochemical synthesis of Cu 3 Si/Si hybrids as negative electrode material for lithium-ion battery}, journal = {Journal of Alloys and Compounds}, volume = {998}, year = {2024}, month = {SEP }, pages = {174996}, type = {Article}, abstract = {

Nanoscaling and alloying techniques for silicon -based materials are widely recognized as vital technological approaches to effectively address the challenges associated with volume expansion and poor conductivity in silicon anodes. Developing short process, cost-effective preparation methods and shape controllable silicon -based materials is expected to improve their cyclability. Herein, utilizing the superior electrical conductivity of copper metal and its stable alloy interaction with silicon, the present study introduced a simple synthetic process by incorporating nanoscale Cu 2 O into a SiO 2 dioxide matrix under a combination of hydrothermal reaction with Cu (NO 3 ) 2 as the copper source and further sintering treatment. Under the conditions of a Cu:Si molar ratio to 3:8 under 850 degrees C by 2.6 V of constant electrolsyis for 3 h, straight silicon nanowires with a cross-sectional distribution were obtained. The Cu 3 Si alloy particles were enriched around silicon nanowires. Experimental testing was conducted to evaluate the electrochemical storage capabilities of Cu 3 Si/Si nanowires, resulting in an initial specific capacity of 2630.7 mAh g -1 and an initial coulombic efficiency of 88.94\%. After 100 charge -discharge cycles, the discharge specific capacity reached 1675.4 mAh g -1 , with a capacity retention rate of 66.20\%. This work demonstrates the effectiveness of constructing a Cu 3 Si conductive network for solving the volume expansion and conductivity problems of Si and the distinctive Cu 3 Si/Si architecture offers an exemplary model for the design of silicon -based composite anodes for advanced lithium -ion batteries.

}, keywords = {Cu3Si/Si alloy, Electrochemical storage capacity, Molten salt electrochemistry, Si nanowires}, issn = {0925-8388}, doi = {10.1016/j.jallcom.2024.174996}, author = {Jiang, Siwei and Cheng, Jiaxu and Nayaka, G. P. and Dong, Peng and Zhang, Yingjie and Xing, Yubo and Zhang, Xiaolei and Du, Ning and Zhou, Zhongren} } @article {49183, title = {Efficient one-pot process for synthesis of antiviral drug Ganciclovir}, journal = {Journal of Chemical Sciences}, volume = {136}, year = {2024}, month = {SEP }, pages = {71}, type = {Article}, abstract = {

A regioselective novel one-pot synthesis of heterocyclic purine derivative antiviral agent Ganciclovir in which initially guanine is treated with acetic anhydride in the presence of iodine (5\%) to get diacetyl guanine intermediate, which undergoes in situ N-alkylation with AMDP in presence of catalytic acidic Amberlite IR-120 to get N-alkylated intermediate and finally deacetylation to get pure regioselective Ganciclovir, which is commercially viable and eco-friendly.Graphical abstractWe developed one-pot synthesis of antiviral drug Ganciclovir. Initially, Guanine is treated with acetic anhydride and iodine to yield diacetyl guanine 3. This intermediate then reacted with AMDP in the presence of acidic Amberlite IR-120 to obtain compound 5. Finally, deacetylation yields Ganciclovir 1, a commercially viable and eco-friendly process.

}, keywords = {Acidic Amberlite IR-120, acyclic nucleoside, anti-herpes, commercially viable, iodine, one-pot process, regiospecific}, issn = {0974-3626}, doi = {10.1007/s12039-024-02303-4}, author = {Sudrik, Vilas and Karpe, Dnyaneshwar and Jadhav, Vrushali and Lawande, Shamrao} } @article {48918, title = {Efficient synthesis of a monomer for bioplastic-FDCA using glucose-HTC catalyst and pinnick oxidation from HMF \& fructose}, journal = {Catalysis Letters}, volume = {154}, year = {2024}, month = {FEB}, pages = {718-724}, type = {Article}, abstract = {

An efficient solvent mediated \& use of metal-free catalyst strategy was developed for synthesis of FDCA over two steps. A simple \& economical glucose-hydrothermally carbonized (Glu-HTC) catalyst was prepared and evaluated for synthesis of 2,5-Diformyl furan (DFF) from fructose \& 5-hydroxymethylfurfural (HMF) in the 1(st) step. DFF was then converted to FDCA using Pinnick oxidation in the 2(nd) step. DFF was obtained in 82\% \& 86\% yields from fructose \& HMF respectively whereas FDCA was obtained in 94-95\% yield from DFF. FDCA was thus formed in an overall yield of 78\% and 81\% from fructose \& HMF respectively. This strategy eliminated use of expensive noble metals for FDCA synthesis and also intermediates such as HMFCA \& FFCA were not observed after the reaction as DFF was completely oxidized to FDCA.

}, keywords = {2, 5-Diformyl furan (DFF), 5-Furandicarboxylic acid, Biomass, D-fructose}, issn = {1011-372X}, doi = {10.1007/s10562-023-04308-z}, author = {Kirdant, Swapnali P. P. and Bankar, Shubham R. R. and Jadhav, Vrushali H. H.} } @article {49224, title = {Electrostatics choreographs the aggregation dynamics of full-length TDP-43 via a monomeric amyloid precursor}, journal = {Biochemistry}, volume = {63}, year = {2024}, month = {MAY}, pages = {1553-1568}, type = {Article}, abstract = {

TDP-43 is a ubiquitously expressed, multidomain functional protein that is distinctively known to form aggregates in many fatal neurodegenerative disorders. However, the information for arresting TDP-43 aggregation is missing due to a lack of understanding of the molecular mechanism of the aggregation and structural properties of TDP-43. TDP-43 is inherently prone to aggregation and has minimal protein solubility. Multiple studies have been performed on the smaller parts of TDP-43 or the full-length protein attached to a large solubilization tag. However, the presence of co-solutes or solubilization tags is observed to interfere with the molecular properties and aggregation mechanism of full-length TDP-43. Notably, this study populated and characterized the native, dimeric state of TDP-43 without the interference of co-solutes or protein modifications. We observed that the electrostatics of the local environment is capable of the partial unfolding and monomerization of the native dimeric state of TDP-43 into an amyloidogenic molten globule. By employing the tools of thermodynamics and kinetics, we reveal the structural characteristics and temporal order of the early intermediates and transition states during the transition of the molten globule to beta-rich, amyloid-like aggregates of TDP-43, which is governed by the electrostatics of the environment. The current advanced understanding of the nature of native and early aggregation-prone intermediates, early steps, and the influence of electrostatics in TDP-43 aggregation is essential for drug design.

}, issn = {0006-2960}, doi = {10.1021/acs.biochem.4c00060}, author = {Doke, Abhilasha A. and Jha, Santosh Kumar} } @article {49189, title = {Engineering inhibitory repeat domains of Pin-II type proteinase inhibitors indicate their high structural-functional tolerance to mutagenesis}, journal = {Biochemical and Biophysical Research Communications}, volume = {735}, year = {2024}, month = {NOV }, pages = {150808}, type = {Article}, abstract = {

Plant proteinase inhibitors (PIs) are critical in defending against biotic stress. Most PIs contain an inhibitory repeat domain (IRD), which serves as the functional component, displaying a high degree of sequence and structural conservation. In this study, we examined the structural and functional resilience of IRDs using a combination of computational modeling and experimental validation. We have taken an evolution-based approach to enhance the PIs effectiveness of two previously identified Capsicum annuum IRDs, IRD4 and IRD10. Through in silico site-saturation mutagenesis of IRD4 and IRD10, we identified key sites associated with enhanced PI activity for targeted mutagenesis. Binding energy predictions for a mutant IRD library, tested against target proteases, suggested that positions R11 and N32 in IRD4 and N32 and H33 in IRD10 were promising candidates for further modification to improve inhibitory potential. Subsequent experimental validation revealed that the mutant proteins IRD4_R11K and IRD4_N32S exhibited stronger chymotrypsin inhibition than the wild-type (WT) IRD4. Similarly, the mutants IRD10_N32S and IRD10_H33 N demonstrated improved trypsin inhibition relative to the WT IRD10. These findings indicate that engineered IRD variants can tolerate structural changes while maintaining or enhancing their inhibitory activity against target proteases. Overall, this study demonstrates the potential of engineering PIs to increase their structural and functional resilience, offering new opportunities for biotechnological applications.

}, keywords = {Capsicum annum, Inhibitory repeat domain, molecular modeling, plant proteinase inhibitors, Proteases, Saturation mutagenesis}, issn = {0006-291X}, doi = {10.1016/j.bbrc.2024.150808}, author = {Barbole, Ranjit S. and Joshi, Rakesh S. and Giri, Ashok P.} } @article {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 {49035, title = {Exploring the catalytic potential of Mg-Cu alloys for enhanced activity toward CO2 hydrogenation}, journal = {Molecular Catalysis }, volume = {556}, year = {2024}, month = {MAR }, type = {Article}, abstract = {

CO2, a well-known greenhouse gas, is a potential raw material that can produce various chemicals. Dissociation of CO2 to CO or hydrogenation to formate (HCOO*) or carboxyl (COOH*) intermediate is crucial in determining the reaction pathway for CO2 conversion. In this work, we demonstrate that alloys of Mg-Cu exhibit greater activity toward activation and hydrogenation of CO2 than transition metal alloys reported so far. Two different compositions of Mg-Cu, namely Mg2Cu and MgCu2, have been studied using periodic Density Functional Theory (DFT). Our investigations reveal that CO2 chemisorbs on both intermetallic alloys. Coadsorption of CO2 with H2O leads to the spontaneous formation of COOH* over Mg2Cu(224), whereas a negligible barrier (0.04 eV) is observed for MgCu2(311). HCOO* formation has a barrier of 0.34 eV and 0.42 eV on Mg2Cu(224) and MgCu2(311), respectively. Dissociation of CO2 to CO is kinetically unfavourable on both compositions of Mg-Cu. We provide a rationale for the observed activity by analyzing the electronic structure. Notably, the spontaneous hydrogenation of CO2 makes earth -abundant metals suitable candidates for alloying that await experimental verification.

}, keywords = {CO2 hydrogenation, DFT, Mg2Cu, MgCu2}, issn = {2468-8231}, doi = {10.1016/j.mcat.2024.113839}, author = {Thakkar, Kavita and Joshi, Kavita} } @article {49282, title = {Exploring the CeO2 support morphology for the carbon dioxide hydrogenation reaction using nickel catalysts}, journal = {Journal of Physical Chemistry C}, volume = {128}, year = {2024}, month = {OCT}, pages = {18782-18792}, type = {Article}, abstract = {

The catalytic activity and stability are examined for the hydrogenation of carbon dioxide under atmospheric pressure over 2 wt \% Ni/CeO2 nanorods (2Ni-CeNRs), nanocubes (2Ni-CeNCs), and nanopolyhedra (2Ni-CeNPs). The 2Ni-CeNR catalysts display excellent catalytic activity and higher stability compared with 2Ni-CeNC and 2Ni-CeNP catalysts. A comprehensive understanding of the surface atomic and electronic structure versus activity has been derived using high-resolution electron microscopy and spectroscopy techniques. High metal dispersion, strong metal-support interaction (SMSI) effect and abundant oxygen vacancies are deduced to play a crucial role in determining the catalytic activity and selectivity of the CO2 hydrogenation reaction.

}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.4c05258}, author = {Gupta, Sharad and Jagtap, Anuradha and Vinod, C. P.} } @article {49235, title = {Exploring the synthesis, characterization, electrical, and magnetic behavior of crystalline Ni1-xZnxFe2O4 nanoparticles}, journal = {JOURNAL OF MATERIALS SCIENCE-MATERIALS IN ELECTRONICS}, volume = {35}, year = {2024}, month = {SEP}, pages = {1714}, type = {Journal Article}, keywords = {CO, DC RESISTIVITY, DIELECTRIC-PROPERTIES, FERRITE NANOPARTICLES, Ni, Substitution, ZN}, issn = {0957-4522}, doi = {10.1007/s10854-024-13448-w}, author = {Adsure, Kiran T. and Jagtap, Sumant B. and Newaskar, Shivkumar R. and Kore, Kiran B. and Funde, Adinath M. and Patange, Sunil M. and Late, Dattatray J.} } @article {49113, title = {Facile synthesis of nanostructured Ni/NiO/N-doped graphene electrocatalysts for enhanced oxygen evolution reaction}, journal = {Nanoscale Advances}, volume = {6}, year = {2024}, month = {MAY}, pages = {2813-2822}, type = {Article}, abstract = {

Electrocatalysts containing a Ni/NiO/N-doped graphene interface have been synthesised using the ligand-assisted chemical vapor deposition technique. NiO nanoparticles were used as the substrate to grow N-doped graphene by decomposing vapours of benzene and N-containing ligands. The method was demonstrated with two nitrogen-containing ligands, namely dipyrazino[2,3-f:2 {\textquoteleft},3 {\textquoteleft}-h]quinoxaline-2,3,6,7,10,11-hexacarbonitrile (L) and melamine (M). The structure and composition of the as-synthesized composites were characterized by XRD, Raman spectroscopy, SEM, TEM and XPS. The composite prepared using the ligand L had NiO sandwiched between Ni and N-doped graphene and showed an overpotential of 292 mV at 10 mA cm-2 and a Tafel slope of 45.41 mV dec-1 for the OER, which is comparable to the existing noble metal catalysts. The composite prepared using the ligand M had Ni encapsulated by N-doped graphene without NiO. It showed an overpotential of 390 mV at 10 mA cm-2 and a Tafel slope of 78.9 mV dec-1. The ligand-assisted CVD route demonstrates a facile route to control the microstructure of the electrocatalysts. Electrocatalysts containing a Ni/NiO/N-doped graphene interface have been synthesised using the ligand-assisted chemical vapor deposition technique.

}, issn = {2516-0230}, doi = {10.1039/d4na00141a}, author = {Madampadi, Roshni and Patel, Avit Bhogilal and Vinod, C. P. and Gupta, Ritu and Jagadeesan, Dinesh} } @article {49326, title = {Far-red active unsymmetrical squaraine dyes containing N-arylated indoline donors for dye sensitized solar cells}, journal = {Photochemistry and Photobiology}, volume = {100}, year = {2024}, month = {JUL}, pages = {1116-1126}, type = {Article}, abstract = {

Squaraine dyes possess sharp far-red active transition with high extinction coefficient and form aggregates on TiO2 surface. Aggregation of dyes on TiO2 has been considered as a detrimental factor for DSSC device performance, which can be controlled by appending alkyl groups to the dye structures. Hence by integrating alkylated (alkyl groups with both in-plane and out-of-plane) aryl group with indoline moiety to make it compatible with other electrolytes and for controlling the dye-aggregation, a series of squaraine acceptor-based dyes SQA4-6 have been designed and synthesized. SQA4-6 dyes showed absorption between 642 and 653 nm (lambda max), photophysical and electrochemical studies indicated that the HOMO energy levels of this sets of dyes are well aligned with the potentials of I-/I3-\$\$ {\textbackslashmathrm{I}}_3\<\^\>{-} \$\$ and [Co(bpy)3]2+/3+ redox shuttles for better dye regeneration process. DSSC device efficiency of 3\% has been achieved for SQA5 dye with iodolyte (I-/I3-\$\$ {\textbackslashmathrm{I}}_3\<\^\>{-} \$\$) electrolyte in the presence of 0.3 mM of chenodeoxycholic acid (CDCA). The IPCE profile of DSSC device fabricated with SQA4-6 dyes indicated the contribution of aggregated structures for the photocurrent generation. Dye-sensitized solar cell (DSSC) device efficiency of 3\% (Jsc 5.72 mA cm-2, Voc 662 mV and ff 79\%) has been achieved for an unsymmetrical squaraine dye, SQA5 with iodolyte electrolyte and the incident photon to current efficiency (IPCE) profile indicates the contribution of aggregated structures for the photocurrent generation.*image

}, keywords = {aggregation of dye, arylation on N-atom of indoline donor, dye-sensitized solar cell, squaraine dye}, issn = {0031-8655}, doi = {10.1111/php.13907}, author = {Jadhav, Avinash P. and Singh, Ambarish Kumar and Pandya, Rinu and Vanka, Kumar and Krishnamoorthy, Kothandam and Jayaraj, Nithyanandhan} } @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 {49310, title = {From digital blueprint to chemical reality: methanol to formaldehyde at ambient conditions}, journal = {Applied Surface Science}, volume = {669}, year = {2024}, month = {OCT }, pages = {160527}, type = {Article}, abstract = {

Partial oxidation of methanol to value added product presents an intriguing yet challenging process. Among these products, formaldehyde is the simplest and one of the most vital aliphatic aldehydes, which has extensive application across various domains. Industrially, silver and iron-molybdenum oxides are used as catalysts for the conversion of methanol to formaldehyde at elevated temperatures (600 degrees C and 250-400 degrees C, respectively). However, in this computational and experimental study, we have demonstrated the efficacy of ZnO as a catalyst. Notably, in the presence of ZnO, methanol readily converts to formaldehyde even under ambient conditions. We employed periodic density functional theory (DFT) to explore (10 1 1) facet of ZnO to elucidate its interaction with methanol. Our comprehensive analysis identified the most active facet (10 1 1) involved in the spontaneous conversion of methanol to formaldehyde. Subsequently, experimental validation supported our theoretical findings, demonstrating the conversion of methanol to formaldehyde with 100\% selectivity at room temperature and atmospheric pressure in the presence of ZnO. This study exemplifies the pivotal role of theory in catalyst design.

}, keywords = {DFT, Formaldehyde, MeOH, ZnO}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2024.160527}, author = {Mehta, Shweta and Kasabe, Mirabai and Umbarkar, Shubhangi B. and Joshi, Kavita} } @article {49316, title = {HyStor: an experimental database of hydrogen storage properties for various metal alloy classes}, journal = {International Journal of Hydrogen Energy}, volume = {90}, year = {2024}, month = {NOV }, pages = {460-469}, type = {Article}, abstract = {

In this work, we introduce the HyStor database, consisting of 1282 metal alloys along with their maximum hydrogen storage capacity (H2wt\%) at a given absorption temperature. The curated HydPark database consist of 831 entries. We sourced compositions from research articles and various patent documents, resulting in addition of 451 compositions to the HydPark database. The addition is reflected in the data across all existing classes of alloys. Further, low entropy alloys (LEA), medium entropy alloys (MEA) and high entropy alloys (HEA) have been newly included classes. This has broadened the scope of the database to encompass the latest materials of interest for hydrogen storage. HyStor contains representation of 54 elements, with a temperature range of 200-800 K, and H2wt\% ranging from 0.1 to 7.19. We conducted thorough checks for duplicate entries, erroneous data, and conflicting compositions within the database to ensure data quality. Furthermore, we conducted multiple tests to identify potential outlier compositions. The data curation and updation reflects into slight improved error metrics of the HYST model, reducing the Mean Absolute Error (MAE) from 0.31 to 0.29 and increasing the R2 score from 0.77 to 0.79.

}, keywords = {Databases, machine learning, Metal hydrides, Solid-state hydrogen storage}, issn = {0360-3199}, doi = {10.1016/j.ijhydene.2024.09.390}, author = {Wilson, Nikhil and Verma, Ashwini and Maharana, Piyush Ranjan and Sahoo, Ameeya Bhusan and Joshi, Kavita} } @article {49244, title = {Identification of a hidden, highly aggregation-prone intermediate of full-length TDP-43 that triggers its misfolding and amyloid aggregation}, journal = {Biochemistry}, volume = {63}, year = {2024}, month = {NOV}, pages = {3100-3113}, type = {Article}, abstract = {

In cells, TDP-43 is a crucial protein that can form harmful amyloid aggregates linked to fatal and incurable human neurodegenerative disorders. Normally, TDP-43 exists in a smaller soluble native state that prevents aggregation. However, aging and stress can destabilize this native state, leading to the formation of disease-causing amyloid aggregates via the formation of partially unfolded, high-energy intermediates with a greater tendency to aggregate. These intermediates are crucial in the early stages of amyloid formation and are challenging to study due to their low stability. Understanding the structure of these early aggregation-prone states of TDP-43 is essential for designing effective treatments for TDP-43 proteinopathies. Targeting these initial intermediates could be more effective than focusing on fully formed amyloid aggregates. By disrupting the aggregation process at this early stage, we may be able to prevent the progression of diseases related to TDP-43 aggregation. Hence, we decided to uncover the hidden, high-energy intermediates in equilibrium with the native states of TDP-43 by modulating the thermodynamic stability of the soluble native dimer (N form) and monomeric molten globular state (MG form) of full-length TDP-43. The thermodynamic modulation performed in the current study successfully revealed the highly aggregation-prone intermediate of full-length TDP-43, i.e., PUF. Moreover, we observed that along with high aggregation propensity, the aggregation kinetics and mechanisms of PUF differ from previously identified intermediates of full-length TDP-43 (the MG and I forms). The information regarding the initial aggregation-prone state of full-length TDP-43 could lead to therapies for amyloid diseases by halting early protein aggregation.

}, issn = {0006-2960}, doi = {10.1021/acs.biochem.4c00389}, author = {Doke, Abhilasha A. and Jha, Santosh Kumar} } @article {49464, title = {Immunogenicity of SARS-CoV-2 vaccines BBV152 (COVAXIN{\textregistered}) and ChAdOx1 nCoV-19 (COVISHIELD{\texttrademark}) in seronegative and seropositive individuals in India: a multicentre, nonrandomised observational study}, journal = {Lancet Regional Health - Southeast Asia}, volume = {22}, year = {2024}, month = {MAR}, type = {Article}, abstract = {

Background:\ There are limited global data on head-to-head comparisons of vaccine platforms assessing both humoral and cellular immune responses, stratified by pre-vaccination serostatus. The COVID-19 vaccination drive for the Indian population in the age group 18-45 years began in April 2021 when seropositivity rates in the general population were rising due to the delta wave of COVID-19 pandemic during April-May 2021.

Methods:\ Between June 30, 2021, and Jan 28, 2022, we enrolled 691 participants in the age group 18-45 years across four clinical sites in India. In this non-randomised and laboratory blinded study, participants received either two doses of Covaxin{\textregistered} (4 weeks apart) or two doses of Covishield{\texttrademark} (12 weeks apart) as per the national vaccination policy. The primary outcome was the seroconversion rate and the geometric mean titre (GMT) of antibodies against the SARS-CoV-2 spike and nucleocapsid proteins post two doses. The secondary outcome was the frequency of cellular immune responses pre- and post-vaccination.

Findings:\ When compared to pre-vaccination baseline, both vaccines elicited statistically significant seroconversion and binding antibody levels in both seronegative and seropositive individuals. In the per-protocol cohort, Covishield{\texttrademark} elicited higher antibody responses than Covaxin{\textregistered} as measured by seroconversion rate (98.3\% vs 74.4\%, p \< 0.0001 in seronegative individuals; 91.7\% vs 66.9\%, p \< 0.0001 in seropositive individuals) as well as by anti-spike antibody levels against the ancestral strain (GMT 1272.1 vs 75.4 binding antibody units/ml [BAU/ml], p \< 0.0001 in seronegative individuals; 2089.07 vs 585.7 BAU/ml, p \< 0.0001 in seropositive individuals). As participants at all clinical sites were not recruited at the same time, site-specific immunogenicity was impacted by the timing of vaccination relative to the delta and omicron waves. Surrogate neutralising antibody responses against variants-of-concern including delta and omicron was higher in Covishield{\texttrademark} recipients than in Covaxin{\textregistered} recipients; and in seropositive than in seronegative individuals after both vaccination and asymptomatic infection (omicron variant). T cell responses are reported from only one of the four site cohorts where the vaccination schedule preceded the omicron wave. In seronegative individuals, Covishield{\texttrademark} elicited both CD4+ and CD8+ spike-specific cytokine-producing T cells whereas Covaxin{\textregistered} elicited mainly CD4+ spike-specific T cells. Neither vaccine showed significant post-vaccination expansion of spike-specific T cells in seropositive individuals.

}, doi = {10.1016/j.lansea.2024.100361.}, author = {Asokan, Mangaiarkarasi S. and Joan, Roshni Florina and Babji, Sudhir and Dayma, Girish and Nadukkandy, Prajitha and Subrahmanyam, Vinutha and Pandey, Archana and Malagi, Girish and Arya, Pooja and Mahajan, Vibhuti and Bhavikatti, Jayateerth and Pawar, Ketakee and Thorat, Aishwarya and Shah, Priyanki and Goud, Ramakrishna B. and Roy, Bishnudeo and Rajukutty, Shon and Immanuel, Sushil and Agarwal,Dhiraj and Saha, Sankhanil and Shivaraj, Akshatha and Panikulam, Patricia and Shome, Rajeshwari and Gulzar, Shah-E-Jahan and Sharma, Anusmrithi U. and Naik, Ajinkya and Talashi, Shruti and Belekar, Madhuri and Yadav, Ritu and Khude, Poornima and V, Mamatha and Shivalingaiah, Sudarshan and Deshmukh, Urmila and Bhise, Chinmayee and Joshi, Manjiri and Inbaraj, Leeberk Raja and Chandrasingh, Sindhulina and Ghose, Aurnab and Jamora, Colin and Karumbati, Anandi S. and Sundaramurthy, Varadharajan and Johnson, Avita and Ramesh, Naveen and Chetan, Nirutha and Parthiban, Chaitra and Ahmed, Asma and Rakshit, Srabanti and Adiga, Vasista and D{\textquoteright}souza, George and Rale, Vinay and George, Carolin Elizabeth and John, Jacob and Kawade, Anand and Chaturvedi, Akanksha and Raghunathan, Anu and Dias, Mary and Bhosale, Anand and Raghu, Padinjat and Shashidhara, L. S. and yakarnam, Annapurna V. and Bal, Vineeta and Kang, Gagandeep and Mayor, Satyajit} } @article {48967, title = {Inhibition of trehalose synthesis in lepidoptera reduces larval fitness}, journal = {Advanced Biology }, volume = {8}, year = {2024}, month = {FEB}, type = {Article}, abstract = {

Trehalose is synthesized in insects through the trehalose 6-phosphate synthase and phosphatase (TPS/TPP) pathway. TPP dephosphorylates trehalose 6-phosphate to release trehalose. Trehalose is involved in metamorphosis, but its relation with body weight, size, and developmental timing is unexplored. The expression and activity of TPS/TPP fluctuate depending on trehalose demand. Thus, TPS/TPP inhibition can highlight the significance of trehalose in insect physiology. TPS/TPP transcript levels are elevated in the pre-pupal and pupal stages in Helicoverpa armigera. The inhibition of recombinantly expressed TPP by N-(phenylthio)phthalimide (NPP), is validated by in vitro assays. In vivo inhibition of trehalose synthesis reduces larval weight and size, hampers metamorphosis, and reduces its overall fitness. Insufficient trehalose leads to a shift in glucose flux, reduced energy, and dysregulated fatty acid oxidation. Metabolomics reaffirms the depletion of trehalose, glucose, glucose 6-phosphate, and suppressed tricarboxylic acid cycle. Reduced trehalose hampers the energy level affecting larval vitality. Through trehalose synthesis inhibition, the importance of trehalose in insect physiology and development is investigated. Also, in two other lepidopterans, TPP inhibition impedes physiology and survival. NPP is also found to be effective as an insecticidal formulation. Overall, trehalose levels affect the larval size, weight, and metabolic homeostasis for larval-pupal transition in lepidoptera. Inhibition of trehalose synthesis enzyme TPS/TPP is a good model to study the contribution of trehalose in attaining body weight and in larval-pupal transition. Transcriptomics and metabolomics studies reveal overall reduced energy and dysregulated glucose, protein, and fatty acid metabolism.image

}, keywords = {Lepidoptera, metabolic homeostasis, trehalose, trehalose 6-phosphate phosphatase}, issn = {2701-0198}, doi = {10.1002/adbi.202300404}, author = {Tellis, Meenakshi B. and Mohite, Sharada D. and Nair, Vineetkumar S. and Chaudhari, Bhagyashri Y. and Ahmed, Shadab and Kotkar, Hemlata M. and Joshi, Rakesh S.} } @article {49404, title = {Insights on prussian blue analogue cathode material engineered with polypyrrole surface protection layer for aqueous rechargeable zinc metal battery}, journal = {Small}, year = {2024}, month = {NOV}, type = {Article; Early Access}, abstract = {

One of the key intricacies against using Prussian blue analogues (PBAs) in aqueous batteries is their gradual dissolution in aqueous electrolytes, resulting in inadequate cycling stability. Besides, the rate capability of PBAs is limited due to their poor electrical conductivity. To overcome these challenges, it is essential to tune the physical and chemical properties of PBAs at the nano regime without affecting the inherent charge storage properties, especially at high-voltage operating conditions. Through this work, a strategy is demonstrated to enhance the electrochemical performance of vanadium-based PBA (V-PBA) by surface engineering using a conducting polymer nano-skin (V-PBA/PPy) for aqueous zinc metal batteries. The polypyrrole (PPy) nano-skin over the V-PBA nanoparticles acts as an electron percolation path to ameliorate the poor electronic conductivity of the otherwise pristine V-PBA. Interestingly, the V-PBA with an optimized polypyrrole coating (V-PBA/PPy-2) exhibits an enhanced specific capacity (173 mAh g-1 at 0.10 A g-1) than the pristine V-PBA counterpart (80 mAh g-1) and 85\% capacity retention up to 500 cycles. The DFT calculation confirms the synergistic interaction between PPy and V-PBA and the presence of PPy favors the adsorption of Zn.

}, keywords = {aqueous rechargeable zinc metal battery, DFT, polypyrrole coating, Prussian blue analogue, surface protection layer}, issn = {1613-6810}, doi = {10.1002/smll.202409947}, author = {Puthiyaveetil, Priyanka Pandinhare and Nair, Aathira and Dilwale, Swati and Kurian, Maria and Joshi, Kavita and Kurungot, Sreekumar} } @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 {49098, title = {Intertwining of localized (d) and delocalized (π) spins in magnetically frustrated two-dimensional metal-organic frameworks}, journal = {Inorganic Chemistry}, volume = {63}, year = {2024}, month = {FEB}, pages = {3675-3681}, type = {Article}, abstract = {

Two-dimensional metal-organic frameworks (2D MOFs) are emerging as a new class of multifunctional materials for diversified applications, although magnetic properties have not been widely explored. The metal ions and organic ligands in some of the 2D MOFs are arranged in the well-known Kagome lattice, leading to geometric spin frustration. Hence, such systems could be the potential candidates to exhibit an exotic quantum spin liquid (QSL) state, as was observed in Cu-3(HHTP)(2) (HHTP = hexahydroxytriphenylene), with no magnetic transition down to 38 mK. Hereto, we have investigated the spin intertwining in a bimetallic 2D MOF system, M-3(HHTP)(2) (M = Cu/Zn)(,) arising from the localized (d-electron) and delocalized (pi-electron) S = 1/2 spins from the Cu(II) ions and the HHTP radicals, respectively. The origin of the spin frustration (down to 5K) was critically examined by varying the metal composition in bimetallic systems, CuxZn3-x(HHTP)(2) (x = 1, 1.5, 2), containing both S = 1/2 and S = 0 spins. Additionally, to gain a deeper understanding, we studied the spin interaction in the pristine Zn-3(HHTP)(2) system containing only S = 0 Zn(II) ions. In view of the quantitative estimate of the localized and delocalized spins, the d-pi spin correlation appears essential in understanding the unusual magnetic and/or other physical properties of such hybrid organic-inorganic 2D crystalline solids

}, issn = {0020-1669}, doi = {10.1021/acs.inorgchem.3c03247}, author = {Ugale, Ajay and Ninawe, Pranay and Jain, Anil and Sangole, Mayur and Mandal, Rimpa and Singh, Kirandeep and Ballav, Nirmalya} } @article {49450, title = {Investigation of cathinone analogs targeting human dopamine transporter using molecular modeling}, journal = {Journal of Biomolecular Structure \& Dynamics}, year = {2024}, month = {MAY}, type = {Article}, abstract = {

In a step towards understanding the structure{\textendash}property relationship among Synthetic Cathinones (SCs), a combined methodology based on Density Functional Theory (DFT), Administration, Distribution, Metabolism, Excretion, and Toxicity (ADMET) predictions, docking and molecular dynamics simulations have been applied to correlate physicochemical descriptors of various SCs to their biological activity. The results from DFT and molecular docking studies correlate well with each other explaining the biological activity trends of the studied SCs. Quantum mechanical descriptors viz. polarizability, electron affinity, ionization potential, chemical hardness, electronegativity, molecular electrostatic potential, and ion interaction studies unravel the distinguishingly reactive nature of Group D (pyrrolidine substituted) and Group E (methylenedioxy and pyrrolidine substituted) compounds. According to ADMET analysis, Group D and Group E molecules have a higher probability of permeating through the blood{\textendash}brain barrier. Molecular docking results indicate that Phe76, Ala77, Asp79, Val152, Tyr156, Phe320, and Phe326 constitute the binding pocket residues of hDAT in which the most active ligands MDPV, MDPBP, and MDPPP are bound. Finally, to validate the derived quantum chemical descriptors and docking results, Molecular Dynamics (MD) simulations are performed with homology-modelled hDAT (human dopamine transporter). The MD simulation results revealed that the majority of SCs remain stable within the hDAT protein{\textquoteright}s active sites via non-bonded interactions after 100 ns long simulations. The findings from DFT, ADMET analysis, molecular docking, and molecular dynamics simulation studies complement each other suggesting that pyrrolidine-substituted SCs (Group D and E), specifically, MPBP and PVN are proven potent SCs along with MDPV, validating various experimental observations.

}, doi = {https://doi.org/10.1080/07391102.2024.2335303}, author = {Shivankar, Bhavana R. and Bhandare, Vishwambhar Vishnu and Joshi, Krati and Patil. Vishal S. and Dhotare, Priyanka Shrikant and Sonawane, Kailas Dasharath and Krishnamurty, Sailaja} } @article {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 {49296, title = {Linear poly(lactic acid) ionomers with pendant ionic groups}, journal = {New Journal of Chemistry}, volume = {48}, year = {2024}, month = {DEC}, pages = {20304-20316}, type = {Article}, abstract = {

Although PLA is widely used, melt processing of this polymer is still a challenging task. In our efforts to improve the melt strength and processability of PLA, we report the synthesis of high molecular weight linear PLA ionomers. PLA copolymers (CP1-CP3) with pendant alkyne groups were synthesized by reacting L-lactide with propargylated lactide. The existence of copolymers with alkyne groups was unambiguously demonstrated, and the percentage of alkyne was found to be 3-7\%. A click reaction protocol was developed to treat the resultant alkyne functionalized copolymers (CP1-CP3) with mercaptosuccinic acid (MSA) and pendant carboxylic acid group functionalized copolymers (CP1-MSA1 to CP3-MSA3) were obtained. The 1-2D NMR confirmed the formation of a major MSA bis-addition product, along with a minor mono-addition product. In the final step, the MSA functionalized copolymers were treated with sodium hydride (NaH) to obtain the corresponding linear PLA ionomers (CP1-MSA1-Na1 to CP3-MSA3-Na3). Significant improvement in thermal and melt rheological properties was observed in these ionomers, as compared to the precursor copolymer and unmodified PLA, due to the microstructural changes caused by the association of the ionic groups. Storage modulus (G {\textquoteleft}) and loss modulus (G {\textquoteleft}{\textquoteright}) values showed a substantial increase in melt elasticity of the ionomers with G {\textquoteleft} \> G {\textquoteleft}{\textquoteright}, whereas the unmodified PLA melt behaved like a viscoelastic liquid. Detailed investigation reveals that incorporating pendant ionic groups in a high molecular weight linear PLA remarkably enhances the elastic modulus from 10 to 100 000 Pa (four orders of magnitude).

}, issn = {1144-0546}, doi = {10.1039/d4nj04170d}, author = {Joseph, Seena and Menon, Abhijith Hari and Lele, Ashish K. and Chikkali, Samir H.} } @article {49239, title = {Mitochondrial resilience and antioxidant defence against HIV-1: unveiling the power of Asparagus racemosus extracts and Shatavarin IV}, journal = {FRONTIERS IN MICROBIOLOGY}, volume = {15}, year = {2024}, month = {OCT}, type = {Journal Article}, keywords = {IN-SILICO, INHIBIT HIV-1}, doi = {10.3389/fmicb.2024.1475457}, author = {Jadaun, Pratiksha and Harshithkumar, R. and Seniya, Chandrabhan and Gaikwad, Shraddha Y. and Bhoite, Shubhangi P. and Chandane-Tak, Madhuri and Borse, Swapnil and Chavan-Gautam, Preeti and Tillu, Girish and Mukherjee, Anupam} } @article {49245, title = {MOFite: a high-density lithiophilic and scalable metal-organic framework anode for rechargeable lithium-ion battery}, journal = {ANGEWANDTE CHEMIE-INTERNATIONAL EDITION}, volume = {63}, year = {2024}, month = {OCT }, type = {Journal Article}, keywords = {conjugated MOF, Energy storage, lithium ion battery, Metal-organic framework, scalable synthesis}, issn = {1433-7851}, doi = {10.1002/anie.202409256}, author = {Gaber, Safa and Mohammed, Abdul Khayum and Javaregowda, Bharathkumar H. and Martinez, Jose Ignacio and Sanchez, Pilar Pena and Gandara, Felipe and Krishnamoorthy, Kothandam and Shetty, Dinesh} } @article {49358, title = {Multi-dimensional impact of captopril modification on human serum albumin}, journal = {International Journal of Biological Macromolecules}, volume = {274}, year = {2024}, month = {AUG}, pages = {133289}, type = {Article}, abstract = {

Captopril is a thiol drug, widely used for the management of hypertension and cardiovascular diseases. Reactive thiols are found to covalently modify the cysteines of plasma proteins and affect their structure and function. Human serum albumin (HSA) is prone to undergo modification by various low molecular weight compounds, including drugs. Cysteine34 (Cys34) in HSA has a free thiol group with antioxidant properties, considered to be the most redox-sensitive amino acid in plasma. Through mass-spectrometric analysis, we demonstrate for the first time that captopril forms a disulfide adduct at Cys34 residue and increases the protease susceptibility of HSA to trypsin. As evidenced by our biophysical and electron microscopy studies, HSA undergoes structural alteration, aggregation and morphological changes when treated with different captopril concentrations. Molecular dynamics studies further revealed the regions of secondary structural changes in HSA due to disulfide adduct formation by captopril at Cys34. It also elucidated the residues involved in the noncovalent interactions with captopril. It is envisaged that structural change in HSA may influence the efficacy of drug delivery as well as its own biological function. These findings may thus provide significant insights into the field of pharmacology intriguing further investigation into the effects of long-term captopril treatment.

}, keywords = {Captopril, Electron microscopy, Human serum albumin, Mass spectrometry, Molecular dynamic simulation, Spectrophotometry}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2024.133289}, author = {Ghosh, Amrita and Jani, Vinod and Sonavane, Uddhavesh and Naphade, Anvi N. and Joshi, Rajendra and Kulkarni, Mahesh J. and Giri, Ashok P.} } @article {49400, title = {Multi-site red-edge excitation shift reveals the residue-specific solvation dynamics during the native to amyloid-like transition of an amyloidogenic protein}, journal = {Journal of Physical Chemistry B}, year = {2024}, month = {DEC}, type = {Article; Early Access}, abstract = {

Changes in water-protein interactions are crucial for proteins to achieve functional and nonfunctional conformations during structural transitions by modulating local stability. Amyloid-like protein aggregates in deteriorating neurons are hallmarks of neurodegenerative disorders. These aggregates form through significant structural changes, transitioning from functional native conformations to supramolecular cross-beta-sheet structures via misfolded and oligomeric intermediates in a multistep process. However, the site-specific dynamics of water molecules from the native to misfolded conformations and further to oligomeric and compact amyloid structures remain poorly understood. In this study, we used the fluorescence method known as red-edge excitation shift (REES) to investigate the solvation dynamics at specific sites in various equilibrium conformations en route to the misfolding and aggregation of the functional domain of the TDP-43 protein (TDP-43tRRM). We generated three single tryptophan-single cysteine mutants of TDP-43tRRM, with the cysteines at different positions and tryptophan at a fixed position. Each sole cysteine was fluorescently labeled and used as a site-specific fluorophore along with the single tryptophan, creating four monitorable sites for REES studies. By investigating the site-specific extent of REES, we developed a residue-specific solvation dynamics map of TDP-43tRRM during its misfolding and aggregation. Our observations revealed that solvation dynamics progressively became more rigid and heterogeneous to varying extents at different sites during the transition from native to amyloid-like conformations.

}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.4c07067}, author = {More, Sonal R. and Jha, Santosh Kumar} } @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 {49370, title = {Ocimum kilimandscharicum 4CL11 negatively regulates adventitious root development via accumulation of flavonoid glycosides}, journal = {Plant Journal}, volume = {119}, year = {2024}, month = {JUL}, pages = {176-196}, type = {Article}, abstract = {

4-Coumarate-CoA Ligase (4CL) is an important enzyme in the phenylpropanoid biosynthesis pathway. Multiple 4CLs are identified in Ocimum species; however, their in planta functions remain enigmatic. In this study, we independently overexpressed three Ok4CL isoforms from Ocimum kilimandscharicum (Ok4CL7, -11, and -15) in Nicotiana benthamiana. Interestingly, Ok4CL11 overexpression (OE) caused a rootless or reduced root growth phenotype, whereas overexpression of Ok4CL15 produced normal adventitious root (AR) growth. Ok4CL11 overexpression in N. benthamiana resulted in upregulation of genes involved in flavonoid biosynthesis and associated glycosyltransferases accompanied by accumulation of specific flavonoid-glycosides (kaempferol-3-rhamnoside, kaempferol-3,7-O-bis-alpha-l-rhamnoside [K3,7R], and quercetin-3-O-rutinoside) that possibly reduced auxin levels in plants, and such effects were not seen for Ok4CL7 and -15. Docking analysis suggested that auxin transporters (PINs/LAXs) have higher binding affinity to these specific flavonoid-glycosides, and thus could disrupt auxin transport/signaling, which cumulatively resulted in a rootless phenotype. Reduced auxin levels, increased K3,7R in the middle and basal stem sections, and grafting experiments (intra and inter-species) indicated a disruption of auxin transport by K3,7R and its negative effect on AR development. Supplementation of flavonoids and the specific glycosides accumulated by Ok4CL11-OE to the wild-type N. benthamiana explants delayed the AR emergence and also inhibited AR growth. While overexpression of all three Ok4CLs increased lignin accumulation, flavonoids, and their specific glycosides were accumulated only in Ok4CL11-OE lines. In summary, our study reveals unique indirect function of Ok4CL11 to increase specific flavonoids and their glycosides, which are negative regulators of root growth, likely involved in inhibition of auxin transport and signaling.

}, keywords = {4-Coumarate-CoA ligase, 7-O-bis-alpha-l-rhamnoside, adventitious root, auxin transport, Flavonoids, kaempferol-3, Ocimum kilimandscharicum, quercetin-3-O-rutinoside, rootless}, issn = {0960-7412}, doi = {10.1111/tpj.16752}, author = {Lavhale, Santosh G. and Kondhare, Kirtikumar R. and Sinthadurai, Veenothini S. and Barvkar, Vitthal T. and Kale, Rutuja S. and Joshi, Rakesh S. and Giri, Ashok P.} } @article {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 {49191, title = {Pathological mutations D169G and P112H electrostatically aggravate the amyloidogenicity of the functional domain of TDP-43}, journal = {ACS Chemical Neuroscience}, volume = {15}, year = {2024}, month = {NOV}, pages = {4267-4283}, type = {Article}, abstract = {

Aggregation of TDP-43 is linked to the pathogenesis of many neurodegenerative diseases, including amyotrophic lateral sclerosis (ALS). Notably, electrostatic point mutations such as D169G and P112H, located within the highly conserved functional tandem RNA recognition motif (RRM) domains of the TDP-43 protein (TDP-43tRRM), have been identified in diseased patients as well. In this study, we address how the electrostatic mutations alter both the native state stability and aggregation propensity of TDP-43tRRM. The mutants D169G and P112H show increased chemical stability compared to the TDP-43tRRM at physiological pH. However, at low pH, both the mutants undergo a conformational change to form amyloid-like fibrils, though with variable rates-the P112H mutant being substantially faster than the other two sequences (TDP-43tRRM and D169G mutant) showing comparable rates. Moreover, among the three sequences, only the P112H mutant undergoes a strong ionic strength-dependent aggregability trend. These observations signify the substantial contribution of the excess charge of the P112H mutant to its unique aggregation process. Complementary simulated observables with atomistic resolution assign the experimentally observed sequence-, pH-, and ionic strength-dependent aggregability pattern to the degree of thermal lability of the mutation site-containing RRM1 domain and its extent of dynamical anticorrelation with the RRM2 domain whose combination eventually dictate the extent of generation of aggregation-prone partially unfolded conformational ensembles. Our choice of a specific charge-modulated pathogenic mutation-based experiment-simulation-combination approach unravels the otherwise hidden residue-wise contribution to the individual steps of this extremely complicated multistep aggregation process.

}, keywords = {amyloid fibrils, conformational changes, disease mutations, electrostatics, Protein aggregation, stability}, issn = {1948-7193}, doi = {10.1021/acschemneuro.4c00372}, author = {Pillai, Meenakshi and Patil, Anjali D. and Das, Atanu and Jha, Santosh Kumar} } @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 {49046, title = {Poly(N-vinylpyrrolidone)-assisted crystal growth of zeolitic imidazolate framework (ZIF-67) and electrochemical properties of its derivatives for flexible supercapacitors}, journal = {Crystal Growth and Design }, volume = {24}, year = {2024}, month = {APR }, pages = {3179-3194}, type = {Article}, abstract = {

A simple and explicit wet chemical method enables the room-temperature crystallization of the zeolitic imidazolate framework (ZIF-67) using cotton-cloth (CC) as a substrate; where time-dependent Avrami{\textquoteright}s kinetic studies demonstrated sluggish nucleation and fast crystal growth resulting in unprecedented morphologies-truncated cubes [synthesized without poly(N-vinylpyrrolidone); PVP], and rhombic dodecahedra (with PVP) with average sizes ranging from 500 nm to 1.41 mu m; wherein amphiphilic PVP plays a crucial function of structure directing agent by modulation of complex formation and deprotonation equilibria. To study the potential of pristine ZIF-67 (ZP0) and PVP-functionalized ZIF-67 (ZP50, ZP100, and ZP200) grown on the CC substrate for application as a flexible electrode in supercapacitors, ZP0, ZP50, ZP100, and ZP200 were annealed to form CZP0, CZP50, and CZP100, respectively. Areal capacitances of 181 and 214 mFcm(-2) were achieved at a current density of 1 mAcm(-2) and a potential window of 1.6 V for CZP0 and CZP100, respectively, and compared to the derivatives without PVP; CZP100 exhibited a superior energy density of 76.3 mu Whcm(-2) and a capacitance retention of 84.3\% after 5000 cycles at a current density of 0.5 mAcm(-2).

}, issn = {1528-7483}, doi = {10.1021/acs.cgd.3c01329}, author = {Jain, Manisha and Joshi, Bhavana and Poddar, Pankaj} } @article {49434, title = {Power generation with negative CO2 emissions through bio-electricity with CCS using dry co-gasification of coal-biomass blends}, journal = {Clean Technologies and Environmental Policy}, year = {2024}, month = {SEP}, type = {Article; Early Access}, abstract = {

Among the measures proposed for decarbonization of electricity generation, large reductions in CO2 emissions are possible by the adoption of bio-electricity with carbon dioxide capture and sequestration. In the present study, thermodynamic analysis of a thermal power plant that produces electricity through co-gasification of high-ash coal and Casuarina equisetifola (CE), a crop which grows along the Indian coastline, and which is not in competition with other agricultural crops for land and water use, is considered for integrated gasification combined cycle (IGCC) with CO2 capture via oxyfuel combustion and gasification technology. The integrated power plant layout includes the energy required for CO2 gasification of coal, biomass blended fuel, air separation to produce oxygen for oxyfuel combustion as well as for purification and compression of the flue gas up to 30 bar. Simulation results show that a net efficiency of 37\% can be achieved using high-ash Indian coal and CE blends up to 30\% of the latter. Synergetic effect of co-gasification components is observed in mass, molar and thermal energy flowrates for biomass blended fuel. With the help of CCS, CO2 emissions are reduced to 69.91 gCO(2)/kWh for 100\% coal-based IGCC-CC plant and further to -21.69 gCO(2)/kWh (negative CO2 emissions) for 30\% biomass blending, thus paving way for CO2-negative power generation.

}, keywords = {BECCS, Combustion, Dry co-gasification, IGCC-CC plant, Negative CO2 emissions, Oxyfuel, Thermodynamic analysis}, issn = {1618-954X}, doi = {10.1007/s10098-024-03001-y}, author = {Vasireddy, Satyam Naidu and Jayanti, Sreenivas} } @article {49281, title = {Preparation and structural characterization of disordered Na-gallosilicate zeolite with natrolite framework and itsK+ and NH4+ exchanged analogues exchanged analogues}, journal = {JOURNAL OF POROUS MATERIALS}, volume = {31}, year = {2024}, month = {OCT}, pages = {1817-1825}, type = {Journal Article}, issn = {1380-2224}, doi = {10.1007/s10934-024-01631-7}, author = {Gavhane, Manjusha J. and Jha, R. K. and Nam, Kyung-Wan and Bhange, Deu S.} } @article {49025, title = {Remarkable SO2 and H2S resistant ability on CO oxidation by unique Pd/WO3 3D hollow sphere nanocatalyst: correlating structure-activity relationships on SO2 exposure}, journal = {ACS Applied Energy Materials}, volume = {7}, year = {2024}, month = {JAN }, pages = {1476-1487}, type = {Article}, abstract = {

We report a simple inorganic route for synthesizing a Pd/WO3 3D hollow sphere nanocatalyst, where Pd nanoparticles are encapsulated and well distributed on porous tungsten oxide nanospheres. The synthesis protocol has advantages, as it requires no surfactant or stabilizing agent, Pd loading is easily tuned, and the as-synthesized nanomaterials can be directly used as catalysts for the CO oxidation reaction. The synthesized nanocatalyst exhibited 100\% CO to CO2 conversion efficiency at 260 degrees C. In addition, the nanocatalyst demonstrated remarkable SO2 (3 ppm) tolerance during the CO oxidation reaction for prolonged SO2 sulfation of 1-21 h at 260-400 degrees C. This represents the longest SO2 exposure time reported to date based on a single metal Pd/support-based nanocatalyst. No decrement in CO conversion efficiency was observed even after SO2 (3 ppm) treatment for 21 h for the first time based on a single metal Pd-based nanocatalyst. Moreover, the synthesized nanocatalyst shows H2S (4 ppm), even in situ H2S tolerance during the CO oxidation reaction at 260 degrees C for 1-3 h and exhibited less sensitivity to prolonged and stringent sulfur exposure, with the highest H2S concentration and maximum 100\% CO to CO2 conversion efficiency obtained after H2S treatment for the first time based on a Pd-based nanocatalyst to the best of our knowledge. The composition and structure of the R-Pd/WO3 nanocatalyst were not much influenced, even after the prolonged SO2 and H2S exposure during the CO oxidation reaction, as verified from spent catalyst analysis. Finally, our DFT-based model provides insights into understanding the observed sulfur resistance on Pd/WO3 by analyzing the underlying electronic structure. Therefore, our strategic synthesis methodology will open up many opportunities to select Pd/metal oxide-based nanomaterials for designing highly efficient, stable, and SO2/H2S-resistant nanocomposite catalyst.

}, keywords = {CO oxidation, DFT calculation, nanocatalyst, palladium (Pd), SO2 andH(2)S resistant ability, structure-activityrelationships, tungstenoxide (WO3)}, issn = {2574-0962}, doi = {10.1021/acsaem.3c02664}, author = {Jeyavani, Vijayakrishnan and Kondhekar, Deepali and Bhati, Meema and Dev, Sahil and Joshi, Kavita and Devi, R. Nandini and Mukherjee, Shatabdi Porel} } @article {49210, title = {Renewable synthesis of MoO3 nanosheets via low temperature phase transition for supercapacitor application}, journal = {SCIENTIFIC REPORTS}, volume = {14}, year = {2024}, month = {SEP }, pages = {20503}, type = {Journal Article}, keywords = {alpha-MoO3, h-MoO3, Mixed phases (h and alpha) of MoO3, Renewable green synthesis, Very low temperature phase transition}, issn = {2045-2322}, doi = {10.1038/s41598-024-69765-x}, author = {Sankar, K. N. Amba and Kesavan, Lokesh and Saha, Bikash and Jyolsnaraj, M. K. and Mohan, S. and Nandakumar, P. and Mohanta, Kallol and Kvarnstroem, Carita} } @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 {49002, title = {Robust spin liquidity in 2D metal-organic framework Cu3 (HHTP)2 with S=1/2 kagome lattice}, journal = {Chemistry- a european journal}, volume = {30}, year = {2024}, month = {JAN }, type = {Article}, abstract = {

On one hand electron or hole doping of quantum spin liquid (QSL) may unlock high-temperature superconductivity and on the other hand it can disrupt the spin liquidity, giving rise to a magnetically ordered ground state. Recently, a 2D MOF, Cu-3(HHTP)(2) (HHTP - 2,3,6,7,10,11-hexahydroxytriphenylene), containing Cu(II) S = 1/2 frustrated spins in the Kagome lattice is emerging as a promising QSL candidate. Herein, we present an elegant in situ redox-chemistry strategy of anchoring Cu-3(HHTP)(2) crystallites onto diamagnetic reduced graphene oxide (rGO) sheets, resulting in the formation of electron-doped Cu-3(HHTP)(2)-rGO composite which exhibited a characteristic semiconducting behavior (5 K to 300 K) with high electrical conductivity of 70 S . m(-1) and a carrier density of similar to 1.1 x 10(18) cm(-3) at 300 K. Remarkably, no magnetic transition in the Cu-3(HHTP)(2)-rGO composite was observed down to 1.5 K endorsing the robust spin liquidity of the 2D MOF Cu-3(HHTP)(2). Specific heat capacity measurements led to the estimation of the residual entropy values of 28 \% and 34 \% of the theoretically expected value for the pristine Cu-3(HHTP)(2) and Cu-3(HHTP)(2)-rGO composite, establishing the presence of strong quantum fluctuations down to 1.5 K (two times smaller than the value of the exchange interaction J).

}, keywords = {2D Metal-organic Framework, Electron doping, Reduced graphene oxide, Spin Liquid, Spin-frustration}, issn = {0947-6539}, doi = {10.1002/chem.202303718}, author = {Ninawe, Pranay and Jain, Anil and Sangole, Mayur and Anas, Mohd and Ugale, Ajay and Malik, Vivek K. and Yusuf, Seikh M. and Singh, Kirandeep and Ballav, Nirmalya} } @article {49259, title = {Scaling-up continuous production of mesoporous silica particles at kg scale: design \& operational strategies}, journal = {Reaction Chemistry \& Engineering}, volume = {9}, year = {2024}, month = {JUN }, pages = {1914-1923}, type = {Article}, abstract = {

This paper demonstrates a continuous flow pilot-scale production of highly porous mesoporous silica particles (MSPs) via a soft template based technique. The study presents pilot scale reactor design, fabrication and production of mesoporous silica particles with a 1 kg per day production rate. The extent of mixing and overall performance of the system were evaluated by conducting a hydrodynamic study, including the estimation of the heat transfer coefficient and dispersion number. Nanoparticle synthesis in a clogging-free manner is the key challenge in moving towards large scale production and commercial applications. This article presents a comprehensive study on the effect of key parameters for successful scaling up of the process. We have also addressed challenges faced and how these are overcome by troubleshooting the process. Different strategies were used to prevent the clogging of the reactor, which involved reactant dilution, periodic pulsation and slug flow (two phase flow). Among them, slug flow allows us to operate the reactor continuously for several hours without clogging and wall-deposition problems. It helped produce morphologically well-defined and near-monodisperse particles. With this process, the production is validated at a scale of 85 times compared to that of a laboratory system (from 22 mL to \>1.5 L), enabling a production rate of 20-50 g h(-1).

}, issn = {2058-9883}, doi = {10.1039/d3re00707c}, author = {Jundale, Rajashri B. and Sonawane, Jayesh R. and Palghadmal, Anil V. and Jaiswal, Hemant Kumar and Deore, Hital S. and Kulkarni, Amol A.} } @article {49398, title = {Selective oxidation of biomass derived 5-hydroxymethylfurfural (HMF) to 2,5-diformylfuran (DFF) over spent dry cell battery cathode material (BCM-2)}, journal = {ACS Applied Engineering Materials}, volume = {2}, year = {2024}, month = {NOV}, type = {Article}, abstract = {

Widespread use of batteries across the globe generates a huge amount of waste. This work is the first to report spent dry cell (Zn-Carbon) battery cathode material (BCM-2) as a heterogeneous catalyst for selective synthesis of fine chemical 2,5-diformylfuran (DFF). Cathode material was easily separated from spent batteries, and acid leached followed by calcination to obtain black powder that was denoted as BCM-2. The catalyst was characterized using various techniques such as P-XRD, EDAX, SEM, HR-TEM, TGA, XPS, and BET analysis. Superior catalytic activity was shown by the catalyst for selective formation of DFF using molecular O2\ as a sole oxidant. The catalyst was found to give excellent HMF conversion of 97\% with 98\% high selectivity of DFF. The BCM-2 catalyst was easily recycled and reused without any significant loss in its catalytic activity. This is one of the best examples for a sustainable, cost-effective, and highly efficient catalytic system for the synthesis of the value-added chemical DFF.

}, doi = {https://doi.org/10.1021/acsaenm.4c00537}, author = {Ghadge, Sambhaji S. and Bankar, Shubham R. and Jadhav, Vrushali H.} } @article {49212, title = {Shuttle balance between lithiophilic functionalities substituted on conjugated polymers to improve lithium-ion diffusion and cycling stability of batteries}, journal = {Macromolecules}, volume = {57}, year = {2024}, month = {AUG}, pages = {7830-7840}, type = {Article}, abstract = {

Herein, we report the design and synthesis of i-Indigo and trans-1,2-di(2-thienyl)ethylene (TVT) comprising copolymers with various side chains that are used as anode-cum-binder in Li-ion batteries. The TVT disrupts the crystallinity, and the i-Indigo renders the handle for unsymmetrical substitution. Polymer P1 comprises alkyl chains on i-Indigo, whereas P2 comprises an alkyl chain and a chain with a urethane moiety as another side chain. Polymer P3 comprises i-Indigo with a urethane moiety and triethylene glycol as side chains. The i-Indigo in P4 is substituted with triethylene glycol and alkyl chains as side chains. These polymers were found to be amorphous with pi-pi stacking due to the extremely small torsional angle imparted by TVT moieties. All of these polymers showed comparable specific capacity while used as an anode in Li-ion batteries due to the presence of a common conjugated backbone. However, the battery metrics varied significantly while the current density of the batteries varied between 0.1 and 2.0 A g(-1). P1 and P2 showed a very close recovery of specific capacity at 0.1 A g(-1) before and after various current densities. However, polymers P3 and P4 did not recover from the specific capacity fading due to the presence of triethylene glycol side chain that degraded. Polymer P2 with an alkyl side chain and a chain with a urethane moiety showed stable performance over 2000 charge-discharge cycles. Contrary to this, the stability of polymers with triethylene glycol side chains decreased over 2000 charge-discharge cycles. Polymer P2 with a urethane side chain also showed improved Li-ion diffusion because the urethane moiety facilitated better Li-ion transport.

}, issn = {0024-9297}, doi = {10.1021/acs.macromol.4c01036}, author = {Kargude, Radhakisan and Javaregowda, Bharathkumar H. and Palani, Sathishkumar and Singh, Anup K. and Krishnamoorthy, Kothandam} } @article {48931, title = {Single-atom alloys of Cu(211) with earth-abundant metals for enhanced activity towards CO2 dissociation}, journal = {Journal of Molecular Graphics and Modelling }, volume = {126}, year = {2024}, month = {JAN}, type = {Journal Article}, abstract = {

CO2, a byproduct from various industrial reactions, must not be released into the atmosphere and should be managed through capture, conversion, and utilization. The first step in converting CO2 into valuable products is to break the C-O bond. This work focuses on designing Single Atom Catalysts (SACs) by doping Cu(211) surface with 13 different s, p, and d block elements with an aim to minimize the activation barrier for C-O bond cleavage. Our work demonstrates that SACs of Mg/Al/Pt@Cu(211) favor CO2 chemisorption compared to Cu(211) where CO2 physisorbs. The barrier for CO2 dissociation is lowest for Mg@Cu(211) and it increases in the order Mg@Cu(211) \< Al@Cu(211) \< Pt@Cu(211) \< Zn@Cu(211) \< Ga@Cu(211) \< Cu@Cu(211) \< Pd@Cu(211). These findings suggest that doping Cu(211) with earth-abundant metal like Mg can potentially be a viable catalyst for CO2 conversion, providing a promising solution to reduce carbon footprint and mitigate climate change.

}, keywords = {CO2, Cu(211), DFT, Single atom catalysts}, issn = {1093-3263}, doi = {10.1016/j.jmgm.2023.108656}, author = {Thakkar, Kavita and Joshi, Kavita} } @article {49352, title = {Size and morphology dependent activity of Cu clusters for CO2 activation and reduction: a first principles investigation}, journal = {ChemPhysChem}, volume = {25}, year = {2024}, month = {DEC}, type = {Article}, abstract = {

Various Cu-based materials in diverse forms have been investigated as efficient catalysts for electrochemical reduction of CO2; however, they suffer from issues such as higher over potential and poor selectivity. The activity and selectivity of CO2 electro reduction have been shown to change significantly when the surface morphology (steps, kinks, and edges) of these catalysts is altered. In light of this, size and morphology dependent activity of selected copper clusters, Cun (n=2-20) have been evaluated for the activation and reduction of CO2 molecule. The phase-space of these copper clusters is rich in conformations of distinct morphologies starting from planar, 2D geometries to prolate-shaped geometries and also high-symmetry structures. The binding efficiency and the activation of CO2 are highest for medium sized clusters (n=9-17) with prolate-morphologies as compared to small or larger sized CunCO(2) clusters that are existing mainly as planar (triangular, tetragonal etc.) or highly-symmetric geometries (icosahedron, capped-icosahedron etc.), respectively. The best performing (prolate-shaped) CunCO2 conformations are quite fluxional and also they are thermally stable, as demonstrated by the molecular dynamics simulations. Furthermore, on these CunCO(2) conformations, the step-by-step hydrogenation pathways of CO2 to produce value-added products like methanol, formic acid, and methane are exceptionally favorable and energy-efficient.

}, keywords = {CO2 activation, CO2 hydrogenation, Copper clusters, Density Functional Theory (DFT), molecular dynamics}, issn = {1439-4235}, doi = {10.1002/cphc.202400442}, author = {Amin, Seerat and Krishnamurty, Sailaja and Dar, Manzoor Ahmad and Joshi, Krati} } @article {48944, title = {Solid state hydrogen storage: Decoding the path through machine learning}, journal = {International Journal of Hydrogen Energy }, volume = {50}, year = {2024}, month = {JAN}, pages = {1518-1528}, type = {Article}, abstract = {

We present a machine learning (ML) framework HEART (HydrogEn storAge propeRty predicTor) for identifying suitable families of metal alloys for hydrogen storage under ambient conditions. Our framework includes two ML models that predict the hydrogen storage capacity (HYST) and the enthalpy of hydride formation (THOR) of multi-component metal alloys. We demonstrate that a chemically diverse set of features effectively describes the hydrogen storage properties of the alloys. In HYST, we use absorption temperature as a feature which improved H2wt\% prediction significantly. For out-of-the-bag samples, HYST predicted H2wt\% with R2 score of 0.81 and mean absolute error (MAE) of 0.45 wt\% whereas R2 score is 0.89 and MAE is 4.53 kJ/molH2 for THOR. These models are further employed to predict H2wt\% and Delta H for similar to 6.4 million multi-component metal alloys. We have identified 6480 compositions with superior storage properties (H2wt\% \> 2.5 at room temperature and Delta H \< 60 kJ/molH2). We have also discussed in detail the interesting trends picked up by these models like temperature dependent variation in the rate of hydrogenation and alloying effect on H2wt\% and Delta H in different families of alloys. Importantly certain elements like Al, Si, Sc, Cr, and Mn when mixed in small fractions with hydriding elements like Mg, Ti, V etc. systematically reduce Delta H without significantly compromising the storage capacity. Further upon increasing the number of elements in the alloy i.e from binary to ternary to quaternary, the number of compositions with lower enthalpies also increases. From the 6.4 million compositions, we have reported new alloy families having potential for hydrogen storage at room temperature. Finally, we demonstrate that HEART has the potential to scan vast chemical spaces by narrowing down potential materials for hydrogen storage.

}, keywords = {Enthalpy of hydride formation, Hydrogen storage capacity, Metal hydrides, Predictive machine learning models, Solid-state hydrogen storage}, issn = {0360-3199}, doi = {10.1016/j.ijhydene.2023.10.056}, author = {Verma, Ashwini and Wilson, Nikhil and Joshi, Kavita} } @article {49269, title = {Solvent-free hydroxylation of unactivated C-H bonds in small molecules and macromolecules by a Fe complex}, journal = {ACS CATALYSIS}, volume = {14}, year = {2024}, month = {APR }, pages = {7173-7181}, keywords = {Ball milling, solid-state C-H hydroxylation}, issn = {2155-5435}, doi = {10.1021/acscatal.4c00775}, author = {Chatterjee, Debasmita and Sajeevan, Amritha and Jana, Sandipan and Birajdar, Rajkumar S. and Chikkali, Samir H. and Sivaram, Swaminathan and Sen Gupta, Sayam} } @article {48970, title = {State-dependent dynamics of extramembrane domains in the β2-adrenergic receptor}, journal = {Proteins- Structure Function and Bioinformatics }, volume = {92}, year = {2024}, month = {MAR}, pages = {317-328}, type = {Article}, abstract = {

G protein-coupled receptors (GPCRs) are membrane-bound signaling proteins that play an essential role in cellular signaling processes. Due to their intrinsic function of transmitting internal signals in response to external cues, these receptors are adapted to be highly dynamic in nature. The beta(2)-adrenergic receptor (beta 2AR) is a representative member of the family that has been extensively analyzed in terms of its structure and activation. Although the structure of the transmembrane domain has been characterized in the different functional states of the receptor, the conformational dynamics of the extramembrane domains, especially the intrinsically disordered regions are still emerging. In this study, we analyze the state-dependent dynamics of extramembrane domains of beta(2)AR using atomistic molecular dynamics simulations. We introduce a parameter, the residue excess dynamics that allows us to better quantify receptor dynamics. Using this measure, we show that the dynamics of the extramembrane domains are sensitive to the receptor state. Interestingly, the ligand-bound intermediate R{\textquoteright} state shows the maximal dynamics compared to either the active R*G or inactive R states. Ligand binding appears to be correlated with high residue excess dynamics that are dampened upon G protein coupling. The intracellular loop-3 (ICL3) domain has a tendency to flip towards the membrane upon ligand binding, which could contribute to receptor {\textquoteleft}{\textquoteleft}priming.{\textquoteright}{\textquoteright} We highlight an important ICL1-helix-8 interplay that is broken in the ligand-bound state but is retained in the active state. Overall, our study highlights the importance of characterizing the functional dynamics of the GPCR loop domains.

}, keywords = {allosteric pathway, beta-2 adrenergic receptor, extramembrane domains, GPCR, loop dynamics, protein dynamics, protein network}, issn = {0887-3585}, doi = {10.1002/prot.26613}, author = {Nikte, Siddhanta V. and Joshi, Manali and Sengupta, Durba} } @article {49387, title = {Sustainable bioprocess technology for producing food-flavour (+)-γ-decalactone from castor oil-derived ricinoleic acid using enzymatic activity of Candida parapsilosis: Scale-up optimization and purification using novel composite}, journal = {Journal of Biotechnology}, volume = {393}, year = {2024}, month = {SEP}, pages = {17-30}, type = {Article}, abstract = {

Ricinoleic acid (RA) from castor oil was employed in biotransformation of peach-flavoured gamma-decalactone (GDL), using a Candida parapsilosis strain (MTCC13027) which was isolated from waste of pineapple crown base. Using four variables-pH, cell density, amount of RA, and temperature-the biotransformation parameters were optimized using RSM and BBD. Under optimized conditions (pH 6, 10 \% of microbial cells, 10 g/L RA at 28 degrees C), the conversion was maximum and resulted to 80 \% (+)-GDL (4.4 g/L/120 h) yield in shake flask (500 mL). Furthermore, optimization was achieved by adjusting the aeration and agitation parameters in a 3 L bioreactor, which were then replicated in a 10 L bioreactor to accurately determine the amount of (+)-GDL. In bioreactor condition, 4.7 g/L (\>85 \%) of (+)-GDL is produced with 20 \% and 40 \% dissolved oxygen (1.0 vvm) at 150 rpm in 72 h and 66 h, respectively. Further, a new Al-Mg-Ca-Si composite column-chromatography method is developed to purify enantiospecific (+)-GDL (99.9 \%). This (+)-GDL is 100 \% nature-identical as validated through 14C-radio-carbon dating. Thorough chemical investigation of enantiospecific (+)-GDL is authenticated for its use as flavour. This bioflavour has been developed through a cost-effective biotechnological process in response to the demand from the food industry on commercial scale.

}, keywords = {(+)-gamma-Decalactone, Al-Mg-Ca-Si composite, Bioflavour, Candida parapsilosis, castor oil, Food-waste}, issn = {0168-1656}, doi = {10.1016/j.jbiotec.2024.07.011}, author = {Syed, Naziya and Singh, Suman and Chaturvedi, Shivani and Kumar, Prashant and Kumar, Deepak and Jain, Abhinav and Sharma, Praveen Kumar and Nannaware, Ashween Deepak and Chanotiya, Chandan Singh and Bhambure, Rahul and Kumar, Pankaj and Kalra, Alok and Rout, Prasant Kumar} } @article {49321, title = {SWATH-MS reveals that bisphenol A and its analogs regulate pathways leading to disruption in insulin signaling and fatty acid metabolism}, journal = {Food and Chemical Toxicology}, volume = {188}, year = {2024}, month = {JUN}, pages = {114667}, type = {Article}, abstract = {

Bisphenol A (BPA) is an endocrine-disrupting chemical (EDC), associated with obesity and insulin resistance. The FDA prohibited the use of BPA-based polycarbonate resins in infant formula packaging; thus, its analogs, viz. Bisphenol S (BPS) and Bisphenol F (BPF) were considered alternatives in epoxy resins, plastics, and food cans. As these analogs might evoke a similar response, we investigated the role of Bisphenols (BPA, BPF, and BPS), on insulin signaling in CHO-HIRc-myc-GLUT4eGFP cells at environmentally relevant concentrations of 2 nM and 200 nM. Insulin signaling demonstrated that Bisphenols reduced phosphorylation of IR and AKT2, GLUT4 translocation, and glucose uptake. This was accompanied by increased oxidative stress. Furthermore, SWATHMS-based proteomics of 3T3-L1 cells demonstrated that Bisphenol-treated cells regulate proteins in insulin resistance, adipogenesis, and fatty acid metabolism pathways differently. All three Bisphenols induced differentially expressed proteins enriched similar pathways, although their abundance differed for each Bisphenol. This might be due to their varying toxicity level, structural differences, and estrogen-mimetic activity. This study has important implications in addressing health concerns related to EDCs. Given that the analogs of BPA are considered alternatives to BPA, the findings of this study suggest they are equally potent in altering fatty acid metabolism and inducing insulin resistance.

}, keywords = {Bisphenols, Estrogen, Lipid droplet, Mitochondrial beta-oxidation, Oxidative stress, PPAR gamma}, issn = {0278-6915}, doi = {10.1016/j.fct.2024.114667}, author = {Kulsange, Shabda E. and Sharma, Monika and Sonawane, Babasaheb and Jaiswal, Meera R. and Kulkarni, Mahesh J. and Santhakumari, B.} } @article {49424, title = {Synergistic combination of ZnCl2/Cu-BTC MOF for the photocatalytic oxidative deamination of benzylamines using CO2 under visible-light irradiation}, journal = {ACS Applied Engineering Materials}, volume = {2}, year = {2024}, month = {JUL}, pages = {2095{\textendash}2101}, type = {Article}, abstract = {

This paper demonstrates the first CO2-mediated oxidative deamination of benzylamines to benzaldehydes using a combination of ZnCl2\ and Cu-BTC MOF as photocatalysts in a carbon tetrachloride solvent under visible-light irradiation. Interestingly, the synergistic combination of ZnCl2\ and Cu-BTC afforded the targeted oxidation of benzylamine to benzaldehyde, wherein CO2\ acted as an oxidant. The individual components yielded the corresponding imine as the main product, resulting from the oxidative coupling of the benzylamine. DFT calculations and computational studies supported the proposed reaction pathways involving the formation of an intermediate imine from benzylamine via dehydrogenation followed by hydrolysis to produce benzaldehyde. This work, demonstrating the use of CO2\ as an oxidant, may open up new avenues for CO2\ utilization in chemical production by using sustainable light energy.

}, doi = {https://doi.org/10.1021/acsaenm.4c00251}, author = {Kumar, Amod and Bhatt, Sakshi and Samal, Pragnya Paramita and Krishnamurty, Sailaja and Jain, Suman L.} } @article {49340, title = {Synergistic effect of lactam and pyridine nitrogen on polysulfide chemisorption and electrocatalysis in lithium sulfur batteries}, journal = {ACS APPLIED MATERIALS \& INTERFACES}, volume = {16}, year = {2024}, month = {AUG }, pages = {42059-42068}, keywords = {Li-S battery, phenyl-diketopyrrolopyrrole, pyridine-diketopyrrolopyrrole}, issn = {1944-8244}, doi = {10.1021/acsami.4c05128}, author = {Javaregowda, Bharathkumar H. and Kargude, Radhakisan and Birajdar, Sarika and Shivankar, Bhavana and Krishnamurty, Sailaja and Jones, Lathe A. and Caruso, Rachel A. and Krishnamoorthy, Kothandam} } @article {49207, title = {Synergistic humidity-responsive mechanical motion and proton conductivity in a cationic covalent organic framework}, journal = {CHEM}, volume = {10}, year = {2024}, month = {AUG }, type = {Journal Article}, keywords = {ACTUATORS, Crystalline, DRIVEN, SOFT}, issn = {2451-9294}, doi = {10.1016/j.chempr.2024.04.018}, author = {Das, Gobinda and Shinde, Dhanraj B. and Melapurakkal, Amrutha and Shelke, V, Manjusha and Garai, Bikash and Bazin, Philippe and Blal, Abdelhafid Ait and Benyettou, Farah and Prakasam, Thirumurugan and Halim, Rasha Abdul and Ibrahim, Fayrouzabou and Sharma, Sudhir Kumar and Varghese, Sabu and Weston, James and Jagannathan, Ramesh and Addicoat, Matthew A. and Gandara, Felipe and Olson, Mark A. and El-Roz, Mohamad and Trabolsi, Ali} } @article {49211, title = {Synthesis of Hofmann-based metal-organic frameworks incorporating a bis-pyrazole linker for various gas separations}, journal = {JOURNAL OF MATERIALS CHEMISTRY A}, volume = {12}, year = {2024}, month = {JUN 25}, pages = {15106-15114}, type = {Journal Article}, keywords = {acetylene, C2H2/CH4, Ni, Purification, SPIN-CROSSOVER BEHAVIOR}, issn = {2050-7488}, doi = {10.1039/d4ta00507d}, author = {Matthews, Brooke L. and Harvey-Reid, Nathan C. and Jangodaz, Elnaz and Scott, Victoria-Jayne and Polson, Matthew I. J. and Maibam, Ashakiran and BabaRao, Ravichandar and Telfer, Shane G. and Kruger, Paul E.} } @article {49397, title = {Synthesis of pyrazole and 1,3,4-oxadiazole derivatives of pharmaceutical potential}, journal = {Prospects in Pharmaceutical Sciences}, volume = {22}, year = {2024}, month = {Aug}, pages = {127{\textendash}135}, abstract = {

Heterocyclic compounds are important molecules that serve as scaffolds or linkers for the core structure of numerous drug substances. In particular, pyrazole and 1,3,4-oxadiazole are compounds of great interest due to their comprehensive biological activities and interesting structural features. Here, we described an efficient and economical synthetic route leading to\ N-phenyl substituted pyrazole and 1,3,4-oxadiazole derivatives. Retrosynthetic disconnective analysis showed that the\ N-phenyl substituted pyrazole can be obtained from chalcone, accessible from the respective aldehyde, and acetophenone. The disubstituted 1,3,4-oxadiazole can be constructed from the respective aldehyde, which originates from pyrrole-containing compound, and formyl chloride. Based on our retrosynthetic analysis,\ N-phenyl substituted pyrazole was obtained by cyclization of the respective chalcone with phenylhydrazine to give pyrazoline which was in turn converted into pyrazole by oxidative aromatization. Potassium carbonate and a catalytic amount of molecular iodine were used to oxidatively cyclize semicarbazones into 1,3,4-oxadiazoles in a transition metal-free process. Novel pyrazole and 1,3,4-oxadiazoles with potential biological activity are investigated as antituberculosis, anticonvulsant, antidiabetic, anticancer, and tyrosinase inhibitory agents.

}, doi = {10.56782/pps.235}, url = {https://prospects.wum.edu.pl/index.php/pps/article/view/235}, author = {Kadam, Mayur and Jadhao, Nitin L. and Gajbhiye, Jayant M.} } @article {49378, title = {Synthesized novel chromogenic reagent and sensor: detection and identification of dichlorvos}, journal = {Heliyon}, volume = {10}, year = {2024}, month = {MAY}, pages = {e31217}, type = {Article}, abstract = {

We developed a novel chromogenic reagent and sensor by selective approach, for the detection and identification of dichlorvos, which we tested with the thin layer chromatography method. For the first time, we reported in situ-generated glyoxal as a hydrolysis product, which then interacts with isoniazid to produce a yellow-colored cyclic compound. We used well-known spectroscopic techniques to confirm the chemical identity of the final product. We initially investigated the reaction using a variety of approaches, followed by attempts to establish the reaction mechanism using Density Functional Theory by Gaussian software.

}, keywords = {DFT analysis, Dichlorvos, Gloyxal, Hydrazone, Isoniazid}, doi = {10.1016/j.heliyon.2024.e31217}, author = {Gedam, Ashwin D. and Katiya, Manish M. and Dhonde, Madhukar G. and Ganorkar, Kapil S. and Thakare, Vijay J. and Mandlik, Prashant R. and Jadhao, Nitin L. and Gajbhiye, Jayant M. and Kumar, Ravi and Vaval, Nayana} } @article {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 {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 {49242, title = {Trehalase inhibition in Helicoverpa armigera activates machinery for alternate energy acquisition}, journal = {JOURNAL OF BIOSCIENCES}, volume = {49}, year = {2024}, month = {JUL }, pages = {74}, type = {Journal Article}, keywords = {Energy metabolism, glucose, Metabolomics, Transcriptomics, trehalase, validamycin A}, issn = {0250-5991}, doi = {10.1007/s12038-024-00453-8}, author = {Tellis, Meenakshi and Mohite, Sharada and Joshi, Rakesh} } @article {48999, title = {Tuning the optical properties of Ln3+-doped-Y2O3@ZnO@Au core-shell heterostructures for visible-to-NIR photon harvesting}, journal = {Surfaces and Interfaces }, volume = {44}, year = {2024}, month = {JAN}, type = {Article}, abstract = {

Here, compact Yb3+-Er3+-Tm3+ doped Y2O3 phosphor microspheres were synthesized by solvothermal method which gave emission in the entire visible region under 980 nm excitation. The effect of doping alkali ions like lithium on the upconversion emission of YYET phosphors is investigated. An epitaxial layer of ZnO is grown around the YYETL (Li+ doped YYET) microspheres by hydrothermal technique. An analysis of the influence of the ZnO shell thickness on the upconversion emission of core microspheres is done. Initial growth of a thin layer of ZnO on the YYETL microspheres causes enhancement in upconversion emission due to passivation of surface defects of core microspheres. Quenching of anti-Stokes emission occurs for thicker ZnO shell coating. Further, it is decorated with AuNPs to study the effect of plasmonics on the optical property of the developed heterostructure. The overlap between the upconversion emission spectra of core microspheres and the LSPR peak of AuNPs modulates the property of the entire structure. The optimized samples were checked for photocatalytic application by degradation of Rh6G dye under solar irradiation. YYETL@ZnO@Au core-shell samples exhibited highest rate constant of 0.00395 min(-1), which is attributed to better exploitation of the UV-Vis-NIR region of the solar spectrum by all three components of the heterostructure.

}, keywords = {AuNPs, Core-shell heterostructure, LRET, Photocatalysis, Upconversion microspheres, ZnO}, issn = {2468-0230}, doi = {10.1016/j.surfin.2023.103775}, author = {Jayswal, Shefali and Luwang, Meitram Niraj and Moirangthem, Rakesh S.} } @article {49247, title = {Tyramine-mediated hyperactivity modulates the dietary habits in Helicoverpa armigera}, journal = {JOURNAL OF CHEMICAL ECOLOGY}, volume = {50}, year = {2024}, month = {OCT}, pages = {453-464}, type = {Journal Article}, keywords = {amines, Behavior, dopamine, octopamine, RECEPTOR, sensitivity, SULFAKININ}, issn = {0098-0331}, doi = {10.1007/s10886-024-01515-9}, author = {Patil, Yogita P. and Gawari, Shyam K. and Barvkar, Vitthal T. and Joshi, Rakesh S.} } @article {49363, title = {Unraveling the metal-ligand cooperativity in a phosphine-free Mn(II)-catalyzed transfer hydrogenation of nitriles to primary amines and dehydrogenation of dimethylamine borane}, journal = {ACS CATALYSIS}, volume = {14}, year = {2024}, month = {OCT }, pages = {15777-15789}, type = {Journal Article}, keywords = {CATALYZED TRANSFER HYDROGENATION, STEREOSELECTIVE TRANSFER SEMIHYDROGENATION}, issn = {2155-5435}, doi = {10.1021/acscatal.4c04988}, author = {Chowdhury, Deep and Gupta, Kriti and Gamidi, Rama Krishna and Jindal, Garima and Mukherjee, Arup} } @article {49033, title = {What leads to direct epoxidation? an exhaustive DFT investigation of electrophilic oxygen mediated epoxidation of ethylene on Ag(100)}, journal = {Computational Materials Science }, volume = {239}, year = {2024}, month = {APR}, type = {Article}, abstract = {

Extensive research has contributed to a better understanding of the commercially important epoxidation reaction. Selectivity, a crucial aspect of this reaction, has received significant attention in both experimental and theoretical investigations. However, a consensus regarding the role of electrophilic oxygen in epoxidation is yet to be reached. The present study is a theoretical examination of the prerequisites necessary for direct epoxidation to occur on the Ag(100) surface, at varied monolayer concentrations. Additionally, the study investigates the characteristics of various oxygen species interacting with ethylene to promote the direct epoxidation pathway. Based on the effective charges and projected density of states (pDOS) analysis, three oxygen variants were identified on the Ag(100) surface: atomic oxygen, dissociatively adsorbed molecular oxygen, and O 3 . The investigation reveals that all oxygen species, despite their physical and electronic differences, are electrophilic and undergo direct epoxidation. This work provides insights into the complex nature of epoxidation reaction and discusses electronic factors influencing the selective oxidation route on different Ag-O complexes.

}, keywords = {Ag(100), DFT, Direct epoxidation, Electrophilic oxygen, Ethylene Oxide (EtO), OMC}, issn = {0927-0256}, doi = {10.1016/j.commatsci.2024.112959}, author = {Nair, Aathira and Joshi, Kavita} } @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 {49837, title = {Achmatowicz rearrangement-enabled unified total syntheses of (+)-passifetilactones A-C}, journal = {RSC Advances}, volume = {15}, year = {2025}, month = {OCT}, pages = {39919-39930}, type = {Article}, abstract = {

In this manuscript, we report the enantio- and diastereoselective total synthesis of three cytotoxic 2-pyrone-derived natural products passifetilactones A-C. Our strategy leverages a unified synthetic approach that originates from simple furan-based building blocks. Key transformations include the Corey-Bakshi-Shibata (CBS) reduction to access chiral furan-derived alcohol, NBS-mediated Achmatowicz rearrangement to construct the alpha-hydroxy-delta-pyrone core, followed by a highly stereoselective, iridium-catalyzed dynamic kinetic intramolecular redox isomerization to access the delta-hydroxy-alpha-pyrone framework. This streamlined route enables efficient access to passifetilactones A, B, and C in 13, 5, and 8 steps, with overall yields of 12\%, 54\%, and 37\%, respectively.

}, doi = {10.1039/d5ra06982c}, author = {Verma, Aman Kumar and Jeddi, Dharmaraju and Kontham, Ravindar} } @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 {49566, title = {Altered Octopamine synthesis impairs tyrosine metabolism affecting Helicoverpa armigera vitality}, journal = {Pesticide Biochemistry and Physiology}, volume = {208}, year = {2025}, month = {MAR}, pages = {106323}, type = {Article}, abstract = {

Tyramine (1-hydroxylase (T(1H) is a key enzyme in the biosynthesis of octopamine (OA), a vital neurohormone in invertebrates. This study explores the expression patterns and functional role of Helicoverpa armigera T(1H (HaT(1H) across various tissues and developmental stages. HaT(1H expression was highest in the head and adult male stages, reflecting tissue-specific and developmental regulation. HaT(1H silencing significantly increased locomotion and decreased feeding behavior. OA supplementation in silenced insects or HaT(1H overexpression showed a contrary effect on locomotory and feeding behavior. In silico screening and inhibitory assays identified tomatidine, a tomato-derived metabolite, as a potent HaT beta H inhibitor with strong binding affinity. In vivo bioassays confirmed tomatidine{\textquoteright}s inhibitory effects, reducing feeding and increasing mortality in H. armigera. Modulation in HaT(1H expression or activity disturbs the tyrosine metabolic pathway, with altered levels of tyramine, octopamine, and dopamine. These results highlight HaT(1H as a key regulator of OA biosynthesis, influencing insect feeding, locomotion, and overall survival. The present study also introduces tomatidine as a potential candidate for insect control, given its ability to disrupt HaT beta H function. This work provides new insights into the physiological roles of HaT beta H and offers promising avenues for developing targeted pest management strategies.

}, keywords = {Helicoverpa armigera, Octopamine biosynthesis, Tomatidine, Tyramine (1-hydroxylase (HaT(1H), Tyrosine metabolic pathway}, issn = {0048-3575}, doi = {10.1016/j.pestbp.2025.106323}, author = {Patil, Yogita P. and Wagh, Deepti S. and Barvkar, Vitthal T. and Gawari, Shyam K. and Pisalwar, Priyanka D. and Ahmed, Shadab and Joshi, Rakesh S.} } @article {49542, title = {Anomalous membrane organization by omega-6 and omega-9 fatty acids}, journal = {Physical Chemistry Chemical Physics}, volume = {27}, year = {2025}, month = {MAR}, pages = {6235-6248}, type = {Article}, abstract = {

Omega fatty acids are currently being marketed as healthy food supplements as they have been implicated in multiple pathophysiological conditions, such as reducing plaque formation of A beta peptide and inhibiting SARS-CoV-2 infection. Their mode of action has been hypothesized to be via membrane reorganization by the unsaturated acyl chains, leading to the modulation of lipid-protein cross-talk. However, the lack of molecular details led us to evaluate the molecular effect of omega-6 (linolenic acid) and omega-9 (oleic acid) fatty acids on membrane organization using a consolidated approach of fluorescence spectroscopy and all-atom molecular dynamics simulation. Our results show that the effect of these omega fatty acids is sensitive to their protonation states. Contrary to the accepted notion that chain unsaturation causes membrane disordering, both experimental and simulation results demonstrate that protonated linoleic acid promotes membrane ordering, despite having two unsaturations at the fatty acyl chain. However, protonated oleic fatty acid, with reduced unsaturation, disordered the acyl chain area of the lipid membranes. Equally surprisingly, deprotonated oleic acid orders, whereas deprotonated linoleic acid disorders, the membrane core region. Interestingly, while the lipid order parameter measurements from simulations did not capture these subtle differences, the calculated rotational autocorrelation function of a membrane dye was in line with experimentally measured apparent rotational correlation times. Our work provides a comprehensive revised molecular picture of the effect of omega fatty acids on membranes and highlights the importance of rigorous comparative approaches, as experimental and simulation studies in isolation can sometimes lead to inconsistent results.

}, issn = {1463-9076}, doi = {10.1039/d4cp04370g}, author = {Porte, Sudha and Pandia, Swaratmika and Joardar, Ankita and Saraf, Deepashri and Pinjari, Aadil and Chakraborty, Hirak and Sengupta, Durba} } @article {49465, title = {Bacterial nanocellulose (BNC) produced from sorbitol as a sustainable nano-filter for oil-water separation}, journal = {International Journal of Biological Macromolecules}, volume = {284}, year = {2025}, month = {JAN}, pages = {137953}, type = {Article}, abstract = {

Oil spillage is one of the serious problems for sustainable environment. Bacterial nanocellulose (BNC), a hydrophilic and highly porous material holds a promising material for oil-water separation from contaminants. In the present work, a hydrophilic BNC produced from a sorbitol as the carbon source demonstrated the unique porous symmetrical arrangement having an oleophilic property. The BNC membrane obtained showed the highest water holding capacity (WHC) of approximate to 147 gg 1 . The Brunauer-Emmett-Teller (BET) analysis of BNC revealed the unique characteristics of isothermic patterns, having macro sized pores with diameter of 121.3 nm and surface area of 40.6m2/g, which plays a vital role in separation of oil from water by allowing passage of only water through it. The separation efficiency of BNC membrane produced after 5th day of incubation has showed 99.0 \% oil removal compared to 10 and 15th day incubated BNC membranes. a CFD model to investigate the possibilities of BNC membranes and clarify the dynamics of oil-water separation. The nanostructured network of BNC offers a tortuous path for oil molecules while allowing rapid permeation of water, leading to high separation selectivity and flux. Although BNC has been previously studied for oil water separation, this study provides new insights into the use of wet BNC membranes into its pristine state with sorbitol as carbon source for this application.

}, keywords = {bacterial nanocellulose, Macro porous, Oil-water separation, Sorbitol}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2024.137953}, author = {Jagtap, Ashish and Krushnatray, Ajinkya and Dastager, Syed G.} } @article {49888, title = {Bacterial nanocellulose enhances osteogenic activity of Vat-based 3D-bio-printed silk fibroin hydrogels}, journal = {International Journal of Biological Macromolecules}, volume = {328}, year = {2025}, month = {NOV}, pages = {147532}, type = {Article}, abstract = {

Tissue engineering, particularly leveraging three-dimensional (3D) bioprinting, is emerging as a transformative solution to repair critical-size bone defects. However, identifying suitable biomaterials remains a key technological bottleneck in the field. Toward this broader goal, this study explored a composite bioink containing photocurable silk fibroin (SF) and bacterial nanocellulose (BNC) for fabricating scaffolds for bone tissue engineering (BTE) by 3D bioprinting using digital light projection (DLP). We prepared scaffolds with 0, 0.25, and 0.75 wt\% BNC and characterized their physicochemical properties (degradation, viscoelasticity, porosity, compressive strength). We assessed samples in simulated body fluid (SBF) after 14 days to evaluate biomineralization. Additionally, using MC3T3-E1 preosteoblast cells, we examined cell viability, metabolic activity, proliferation, and osteogenic potential through alkaline phosphatase (ALP), Alizarin Red S (ARS), von Kossa, hematoxylin and eosin (H\&E), and Picrosirius Red assays. The optimized bioinks produced hydrogels with controlled degradation, tunable viscoelasticity, interconnected pores, and significantly improved compressive strength. Specifically, 10 \% methacrylated-silk with 0.75 \% BNC (Silk-MA/0.75BNC) showed superior mechanical properties compared to 10 \% Silk-MA or 10 \% Silk-MA with 0.25 \% BNC (Silk-MA/0.25BNC). In vitro studies confirmed enhanced biomineralization with Silk-MA/0.75BNC, increased calcium deposits, and improved cell viability and metabolic activity with BNC incorporation. Hence, the 3D-bioprinted composite scaffolds were shown to effectively support cell proliferation, with the 0.75 \% BNC bioink significantly stimulating osteogenic markers. These results underscore the potential of Silk-MA/BNC composite bioinks for advanced 3D bioprinting of BTE constructs.

}, keywords = {Additive manufacturing, bacterial nanocellulose, Bone repair, Methacrylated silk fibroin}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2025.147532}, author = {Waidi, Yusuf Olatunji and Jagtap, Ashish and Dastagar, Syed G. and Chatterjee, Kaushik} } @article {49823, title = {Bis-subporphyrin-like boron(iii) complexes derived from indolo[2,3-a]carbazole-based cyclic bis-BODIPYs exhibiting persistent helical chirality}, journal = {Chemical Science}, volume = {16}, year = {2025}, month = {OCT }, pages = {19164-19171}, type = {Article}, abstract = {

Herein, we report the synthesis of 11,12-dihydroindolo[2,3-a]carbazole (InC) 1 incorporating expanded porphyrinoid 8, and its boron(iii) complexes (8BF2 and 8BF). These macrocycles exhibit a {\textquoteleft}figure-eight{\textquoteright} conformation that exists as a pair of helical enantiomers (P,P and M,M), confirmed by X-ray crystallographic analysis. The {\textquoteleft}figure-eight{\textquoteright} structures are stabilized by intramolecular hydrogen bonds such as NH \& ctdot;N and NH \& ctdot;F interactions. The synthesized macrocycles demonstrate excellent stability under ambient conditions. Further, the helically-locked structure 8BF exhibited closely held InC units with a distance of 6.17 \& Aring; and enabled facile optical resolution using chiral HPLC. Circular dichroism spectroscopy of enantiopure 8BF shows the Cotton effect at 692 nm extending to the near-IR region with Delta epsilon up to 150 M-1 cm-1. The chiral induction of racemic macrocycle 8 was employed using enantiopure mandelic acids.

}, issn = {2041-6520}, doi = {10.1039/d5sc04279h}, author = {Spergen, Aswini and Bal, Pranav V. and Shameem, Asif Khan Shameer and Joshy, Arun and Nambiar, Anjana P. and Andrews, Alex P. and Sabapathi, Gokulnath} } @article {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 {49711, title = {Carbohydrate-based polyester and amino acid polyester photocrosslinker and their resin formulation for 3D printing applications}, journal = {Chemistry-An Asian Journal}, volume = {20}, year = {2025}, month = {JUN}, type = {Article}, abstract = {

Fully bio-based polyester was designed and synthesized using the carbohydrate-based diol 2,4:3,5-di-O-methylene-D-mannitol (Manx) and dimethyl ester of 2,3:4,5-di-O-methylene-galactaric acid (Galx). Photocurable resin formulations were prepared by incorporating up to 15 wt\% of the carbohydrate polyester into hydroxyl ethyl methacrylate (HEMA) along with polyacrylamide crosslinker derived from L-glutamic acid. Complex 3D structures with good shape fidelity could be 3D printed using these novel polyester resin formulations. The incorporation of the carbohydrate polyester improved the glass transition temperature of the 3D-printed objects. Enzymatic erosion studies conducted using esterase enzyme revealed a higher degradation rate for the 3D-printed films containing the carbohydrate polyester. The hydrolytic degradation analysis conducted in both acidic and basic environments revealed that the 3D-printed polymer network exhibits stability and resilience in acidic conditions, while it undergoes complete degradation in basic conditions. This finding underscores the possibility of tailoring degradation processes under regulated circumstances.

}, keywords = {3D printing, Amino acid, Carbohydrate polyester, Enzymatic degradation, Resin formulation}, issn = {1861-4728}, doi = {10.1002/asia.202401474}, author = {Kamble, Ganesh N. and Joshi, Dheeraj Chandra and Gavhane, Utreshwar A. and Asha, S. K.} } @article {49810, title = {Characterization of S-homocysteinylation of Human Insulin and Its Implications in Diabetes}, journal = {Protein Journal}, volume = {44}, year = {2025}, month = {OCT}, pages = {598-610}, type = {Article}, abstract = {

Homocysteine thiolactone is a reactive thiol known for its interaction with various proteins. Nevertheless, there exists a paucity of information concerning the interaction between homocysteine thiolactone and human insulin, particularly regarding the mechanism by which homocysteine facilitates the reduction of disulfide bonds within insulin. In the present study, we have elucidated the binding sites of homocysteine to the cysteine residues (A6-B7 and A20-B19) that are implicated in the formation of intermolecular disulfide bonds in insulin through an in vitro reaction analyzed via LC-ESI MS/MS. This results in a reduction of disulfide bonds linking the A and B chains, which was corroborated by MALDI-TOF-MS and ESI-MS analysis. The secondary structure of insulin is affected by this modification, as evidenced by circular dichroism spectroscopy. In-silico studies also show that homocysteine affects the insulin structure. A glucose uptake assay conducted in Chinese hamster ovary (CHO) cells that stably express the insulin receptor revealed that HC-modified insulin is less effective in inducing glucose uptake compared to native insulin, suggesting that HC-induced structural modifications in insulin influence functional activity. This study provides insight into the HC-induced structural and functional changes in insulin and discusses the consequent implications for diabetes.

}, keywords = {Disulfide bonds, Homocysteinylation, insulin, Mass spectrometry}, issn = {1572-3887}, doi = {10.1007/s10930-025-10282-9}, author = {Sheikh, Amreen B. and Jathar, Swaraj M. and Tammara, Vaishnavi and Das, Atanu and Kulkarni, Mahesh J.} } @article {49899, title = {(Chiro)optical Properties of π-Extended Spiro-Double Carbo[7]helicene}, journal = {Journal of Physical Chemistry Letters}, volume = {16}, year = {2025}, month = {NOV }, pages = {11657-11664}, type = {Article}, abstract = {

Helical nanographenes are a fascinating class of pi-extended chiral nanocarbons, where structural helicity imparts intrinsic chirality and unique optoelectronic properties to the rigid carbon framework. In this work, we synthesized a hexa-peri-hexabenzocoronene-based pi-extended spiro-double carbo[7]helicene. The helical distortion of the structure was unambiguously confirmed by X-ray crystallography. The optical properties were explored through UV-Vis absorption, fluorescence, and phosphorescence measurements, complemented by density functional theory (DFT) calculations. Remarkably, the pi-extended spiro-double carbo[7]helicene exhibited thermally activated delayed fluorescence (TADF) at room temperature and phosphorescence at low temperatures. Chiral HPLC successfully resolved the enantiomers into three fractions: (PP), (MM), and the meso forms (PM)/(MP), and chiroptical studies of the pure enantiomers revealed a moderately high g lum value of 1.58 x 10-3. Finally, the origin of the observed dissymmetry factors was rationalized by analyzing the transition electric dipole moments (TEDM) and transition magnetic dipole moments (TMDM) derived from time-dependent density functional theory (TD-DFT) calculations.

}, issn = {1948-7185}, doi = {10.1021/acs.jpclett.5c02897}, author = {Kumar, Viksit and Dongre, Sangram D. and Vandhanam, Aparna and Jadhav, Ashok Badrinarayan and Kumar, Jatish and Babu, Sukumaran Santhosh} } @article {49607, title = {Chiroptical amplification of [7]-helicene nanographene by additional helical chirality}, journal = {Angewandte Chemie-International Edition}, volume = {64}, year = {2025}, month = {FEB }, pages = {e202420767}, type = {Article}, abstract = {

Nanographenes have captivated scientific interest since the pioneering discovery of graphene. Recently, attention has shifted towards exploring chiral and nonplanar nanographenes, for their distinct optical, chiroptical, and electronic properties. Despite the growing acceptance of helicenes, the research on inducing helical chirality on pi-extended derivatives to boost chiroptical properties remains unattended. In our study, we introduce a new pi-extended [7]-helicene resulting from the condensation of diamines with 3,6-dibromophenanthrene-9,10-dione, complemented by two hexabenzocoronene arms in the periphery. Notably, the nanographene containing binaphtho-[1,4]diazocine, compared to the corresponding phenazine, exhibits a remarkable average 2.5, 5, and 10-fold enhancements in quantum yield, dissymmetry factor, and brightness, respectively, when measured in five different solvents. These improvements underscore the significance of the induced helical chirality by the antiaromatic binaphtho-[1,4]diazocine in influencing the chiroptical properties of the helical nanographene. Our research represents a significant stride toward unlocking the potential of pi-extended helicenes and lays the groundwork for further exploration in designing and synthesizing new chiral nanomaterials.

}, keywords = {circularly polarised luminescence, dissymmetry factor, helicene, nanographene, quantum yield}, doi = {10.1002/anie.202420767}, author = {Dongre, Sangram D. and Venugopal, Geethu and Kumar, Viksit and Badrinarayan Jadhav, Ashok and Kumar, Jatish and Babu, Sukumaran Santhosh} } @article {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 {49726, title = {Clove essential oil-supported disposable in-tip cellulose paper (DICP) device for facile extraction of anesthetic drugs from postmortem samples: a white analytical toxicology (WAT) approach}, journal = {Sustainable Chemistry and Pharmacy}, volume = {45}, year = {2025}, month = {JUN}, pages = {102010}, type = {Article}, abstract = {

A novel disposable in-tip cellulose paper (DICP) device, enhanced with clove essential oil (CEO), was developed for the extraction of four anesthetic drugs (lidocaine, prilocaine, ropivacaine, and bupivacaine) from postmortem blood and urine samples. The DICP device, equipped with 1 x 3 cm CEO-impregnated cellulose paper (CP) strips (prepared via a simple dip-coating process), is attached to a 1000 mu L micropipette. The findings from density functional theory (DFT) study reveals that CEO-impregnated cellulose demonstrates stronger and more diverse interactions with anesthetic drugs, as evidenced by more negative adsorption energy (-0.62 eV) and enhanced non-covalent interactions compared to cellulose alone. The procedure involves aspirating and dispensing diluted biological samples through the DICP device for 30 cycles, adsorbing the analytes onto the CEO-impregnated CP strips. The adsorbed analytes are subsequently eluted with 0.5 mL of ethyl acetate through 40 aspirating-dispensing cycles and analyzed by GC-MS. The method achieved limits of quantification as low as 0.01 mu g/mL, with intra-day and inter-day precisions below 10.2 \% and 14.6 \%, respectively, and accuracy ranging from 90.5 \% to 110.7 \%. Relative recoveries ranged from 66 \% to 87.6 \%, while matrix effects remained consistently below 11.9 \%. The DICP-GC-MS method demonstrated exceptional sustainability, achieving a whiteness score of 97.2 \%, underscoring its alignment with green analytical chemistry principles and operational simplicity. Applicability was demonstrated through the successful analysis of postmortem cardiac blood in a suspected anesthetic drug overdose case, highlighting its potential as a robust, high-throughput, and eco-friendly approach for routine forensic toxicological screening.

}, keywords = {Anesthetic drugs, Clove essential oil, Disposable in-tip cellulose paper (DICP) device, Green sample preparation, White analytical toxicology (WAT)}, doi = {10.1016/j.scp.2025.102010}, author = {Jain, Rajeev and Shivankar, Bhavana R. and Krishnamurty, Sailaja and Al-Khateeb, Lateefa A. and Sheetal, Sarah and Alharthi, Sarah} } @article {49797, title = {Continuous flow hydrodeoxygenation of lignin-derived guaiacol to cyclohexanol over durable Al2O3 hollow fiber supported co catalyst}, journal = {ChemCatChem}, volume = {17}, year = {2025}, month = {SEP}, type = {Article}, abstract = {

The drive to decarbonize the chemical, oil, and gas industries through use of bio-derived resources is intensifying. This study focuses on converting lignin-derived phenolic compounds into cyclohexanol, a precursor for adipic acid production. The alumina hollow fiber supported cobalt catalyst (5Co/AHF@capillary) prepared by capillary action method was found to consist cobalt in both metallic and +delta oxidation states. Initial tests in a batch-mode reactor showed promising results, with 5Co/AHF@capillary catalyst demonstrating catalytic activity comparable to Ru/Al2O3 systems (225 degrees C, 1 MPa H-2, 4 h), achieving similar to 86\% cyclohexanol yield in guaiacol hydrodeoxygenation reactions. The catalytic system was then adapted for continuous flow reactors under milder conditions (300 degrees C, 2.5 MPa H-2, 18 mL min(-1)), resulting in 83\% guaiacol conversion and 74\% cyclohexanol yield. The durability of the catalyst was checked for \>80 h and results claim that catalyst was active in yielding consistent results. The roles of catalyst preparation method, hydrogen pressure, solvent, WHSV were thoroughly checked and discussed.

}, keywords = {biomass valorization, Carbon, Co/Al2O3, Cyclohexanol, lignin}, issn = {1867-3880}, doi = {10.1002/cctc.202500656}, author = {Singh, Dheerendra and Jogdand, Shunottara M. and Devi, R. Nandini and Dhepe, Paresh L.} } @article {49609, title = {Continuous flow synthesis of metal nanowires: protocols, engineering aspects of scale-up and applications}, journal = {Materials Horizons}, volume = {12}, year = {2025}, month = {JAN}, pages = {364-400}, type = {Review}, abstract = {

This review comprehensively covers the translation from batch to continuous flow synthesis of metal nanowires (i.e., silver, copper, gold, and platinum nanowires) and their diverse applications across various sectors. Metal nanowires have attracted significant attention owing to their versatility and feasibility for large-scale synthesis. The efficacy of flow chemistry in nanomaterial synthesis has been extensively demonstrated over the past few decades. Continuous flow synthesis offers scalability, high throughput screening, and robust and reproducible synthesis procedures, making it a promising technology. Silver nanowires, widely used in flexible electronics, transparent conductive films, and sensors, have benefited from advancements in continuous flow synthesis aimed at achieving high aspect ratios and uniform diameters, though challenges in preventing agglomeration during large-scale production remain. Copper nanowires, considered as a cost-effective alternative to silver nanowires for conductive materials, have benefited from continuous flow synthesis methods that minimize oxidation and enhance stability, yet scaling up these processes requires precise control of reducing environments and copper ion concentration. A critical evaluation of various metal nanowire ink formulations is conducted, aiming to identify formulations that exhibit superior properties with lower metal solid content. This study delves into the intricacies of continuous flow synthesis methods for metal nanowires, emphasizing the exploration of engineering considerations essential for the design of continuous flow reactors. Furthermore, challenges associated with large-scale synthesis are addressed, highlighting the process-related issues. This review comprehensively covers the translation from batch to continuous flow synthesis of metal nanowires (i.e., silver, copper, gold, and platinum nanowires) and their diverse applications across various sectors.

}, issn = {2051-6347}, doi = {10.1039/d4mh00781f}, author = {Sonawane, Jayesh R. and Jundale, Rajashri and Kulkarni, Amol A.} } @article {49860, title = {Detection and variant characterization of lumpy skin disease virus from dairy cattle in India}, journal = {Virus Evolution}, volume = {11}, year = {2025}, month = {DEC}, pages = {veaf090}, type = {Article}, abstract = {

The spread of a severe and often fatal form of lumpy skin disease (LSD) in cattle and water buffaloes has caused widespread mortality and morbidity of these animals in India. To track and understand the genetic changes occurring in the virus and to enable routine surveillance of the virus, multiplexed polymerase chain reaction (PCR) and sequencing methods were developed and validated in this study. Multiplexed nested PCR for LSD virus (LSDV) detection was optimized using skin lesion swabs and nasal samples collected from symptomatic and asymptomatic animals. For genotyping, overlapping PCRs to amplify the entire LSDV genome were developed and tested on field samples collected from the Maharashtra and Odisha states of India. Analysis of LSDV genomes from 41 field samples collected in 2022 and 2023 revealed the presence of highly conserved novel mutations. Phylogenetic analysis shows that a distinct genotype of LSDV has spread across India, which warrants genomic surveillance of the virus in the coming years to track the evolution and transmission of the virus. The non-invasive sample collection, detection, and genotyping methods described in this study can facilitate large-scale surveillance of LSDV in dairy animals.

}, keywords = {genotyping by sequencing, lumpy skin disease, multiplexed nested PCR, Oxford Nanopore technology, virus surveillance}, doi = {10.1093/ve/veaf090}, author = {Bajpai, Manali and Khilari, Ajinkya and Likhitkar, Bhagyashree and Musale, Pankaj and Jadhav, Santoshkumar and Dhanikachalam, Velu and Kakramkar, Payal and Bhave, Kaustubh and Swaminathan, Marimuthu and Joshi, Sachin and Shanmugam, Dhanasekaran} } @article {49687, title = {Diamondoid all-carbon porous aromatic framework host for lithium-sulfur batteries}, journal = {Small}, volume = {21}, year = {2025}, month = {JUN}, pages = {2500388}, type = {Article}, abstract = {

Lithium-sulfur batteries (LSBs) hold incredible potential as next-generation energy storage systems. However, practical applications of LSBs are significantly hindered by several critical challenges. For the first time, scalable all-carbon porous 3D polymers (3DPs) that do not contain heteroatoms or functional groups and do not require post-functionalization are investigated as hosts in lithium-sulfur batteries, demonstrating enhanced cycling stability and overall battery performance. The pyrene-containing 3DP exhibits 75\% capacity retention after 600 cycles at 1 C and 52\% capacity retention after 1300 cycles at 0.2 C, better than phenyl comprising 3DP. Furthermore, even at higher sulfur loading (4.1 mg cm(-2)) with an electrolyte/sulfur ratio of 5 mu L mg(-1), pyrene 3DP displayed a high capacity of 600 mA h g(-1) and stable performance over 250 cycles with negligible capacity fade. The defined pore structure of 3DPs prevents the migration of polysulfides through physical confinement and the large pi -clouds of 3DPs interact with the negative charge-bearing polysulfides generated in charge-discharge cycles through anion-pi interaction. In this way, The design ensures that the host 3DPs interact with neutral sulfur and anionic polysulfides, resulting in an excellent performance.

}, keywords = {3D polymers, Batteries, Li-Sulfur battery, porous materials, pyrene}, issn = {1613-6810}, doi = {10.1002/smll.202500388}, author = {Kumar, Viksit and Javaregowda, Bharathkumar H. and Devasia, George and Narayanan, Aswini and Krishnamurty, Sailaja and Krishnamoorthy, Kothandam and Babu, Sukumaran Santhosh} } @article {50012, title = {DLP 3D printing and characterization of PEEK-acrylate composite biomaterials for hip-joint implants}, journal = {Obrabotka metallov - Metal Working and Material Science}, volume = {27}, year = {2025}, month = {JAN}, pages = {172-191}, type = {Article}, abstract = {

Introduction.\ Hip joint replacement is considered the most complex and critically important orthopedic surgical procedure compared to knee and shoulder joint replacements. Over the past few decades, there has been significant advancement in hip joint replacement technology, and various biomaterials have been substantially improved. An increasing number of hip joint replacement surgeries are now successful, assisting individuals in regaining normal daily activity and work capacity comparable to their pre-fracture state. However, the need for revision surgery, specifically for implant replacement, is still observed in active patients several years following the initial operation. This underscores the need to develop durable biomaterials and customized hip joint implants to reduce implant wear and the risk of dislocation. This research study explores a novel PEEK-in-acrylate composite biomaterial with varied weight percentages of PEEK (0 \%, 5 \%, and 10 \%) in an acrylate-based matrix. Tests were conducted to determine its properties, biocompatibility, and 3D printability. Based on the developed material, pins (in accordance with the ASTM standard) were fabricated using 3D printing for subsequent wear rate studies. The potential use of the developed composite materials for hip-joint applications was also thoroughly investigated.\ The purpose of this study\ is to develop and investigate a new PEEK in Acrylate composite biomaterial with varied weight percentages of PEEK (0 \%, 5 \%, and 10 \%) in an acrylate-based matrix. The research includes an assessment of the material{\textquoteright}s properties, biocompatibility, and 3D printability. Using digital light processing (DLP) 3D printing technology at room temperature, pins (in accordance with the ASTM standard) were fabricated. An experimental study of dry sliding wear resistance was conducted on the resulting samples to determine the effect of PEEK weight fraction on the wear rate and frictional performance against an SS 316 steel disk. Scanning electron microscopy (SEM) and Energy-dispersive X-ray spectroscopy (EDS) were used to analyze the surface structure and element distribution within the material.\ The Methods of Investigation.\ Digital Light Processing (DLP) 3D Printing technique was used to 3D Print the ASTM pins and Acetabular liner with different weight fraction of PEEK in acrylate. Dry sliding wear tests were carried out using a pin-on-disk tribometer. During testing, the disk rotation speed and the normal load on the pin were varied. The studies were designed to determine the influence of input parameters on the wear rate. A total of nine experiments were conducted for each PEEK weight fraction, with a sliding distance of 4 km per experiment. The load ranged from 20 to 100 N, and the sliding speed varied from 450 to 750 rpm. Surface structure and element distribution were analyzed by Energy-dispersive X-ray spectroscopy (EDS) and Scanning electron microscopy (SEM).\ Result and Discussion.\ Current study demonstrates the advantages of varying the weight fraction of PEEK in Acrylate for DLP-fabricated biomaterials. Analysis of the SEM, EDS, and wear testing results indicated that the composite with 10 wt \% PEEK in Acrylate exhibited superior microstructural integrity, elemental homogeneity, and significantly improved wear resistance. The 10 wt \% PEEK in Acrylate composite, fabricated via DLP 3D printing, is suitable for biomedical implant and healthcare applications

}, keywords = {3D printing, Biomaterials, FDM, implant, PLA, print orientation, wear behavior}, doi = {10.17212/1994-6309-2025-27.1-172-191}, author = {Dama, Yogiraj and Jogi, Bhagwan and Pawade, Raju and Pal, Shibam and Gaikwad, Yogesh} } @article {49516, title = {Effect of cyclization and alkyl group wrapping in visible-light-active unsymmetrical squaraine dyes for dye-sensitized solar cells}, journal = {ACS Applied Energy Materials}, volume = {8}, year = {2025}, month = {APR }, pages = {5017-5030}, type = {Article}, abstract = {

A series of alkyl group-appended indoline- and carboxylic acid-functionalized indolenine-based visible-light-active unsymmetrical squaraine dyes, SQA7-10, were designed, synthesized, and utilized for the dye-sensitized solar cells device fabrication. The number of alkyl group has been increased systematically on the indoline moiety to control the self-assembly of dyes on TiO2 and to passivate the photoanode that helps in improving the open-circuit voltage (V-OC) by avoiding the charge recombination process. SQA7-10 dyes showed an absorption between lambda(max) 536-540 nm, with molar extinction coefficients of 1.62-2.13 x 10(5) M-1 cm(-1) in CH3CN. Further, ultraviolet-visible (UV-vis) studies on TiO2 indicated the formation of H-aggregated dyes (505-510 nm), which can be controlled by appending the alkyl groups. The energy levels of the highest occupied molecular orbital (HOMO) of these dyes are well aligned with the Nernst potentials of I-/I(3)(-)electrolyte and [Cu(tmby)(2)](+/2+) electrolytes with sufficient overpotentials required for the dye regeneration process. DSSC devices made with these dyes showed systematic enhancements of open-circuit voltage (V-OC) and device efficiency with respect to alkyl group incorporation for SQA7-10 with I-/I-3(-) electrolytes. All of the SQA dyes exhibited the device V-OC of more than 805 mV, where the introduction of alkyl groups systematically enhanced the V-OC in the order of SQA7 (805 mV) \< SQA8 (829 mV) \< SQA9 (843 mV) \< SQA10 (862 mV) without any addition of CDCA. Within the SQA dye series, SQA10 dye has achieved the highest DSSC device efficiency of 7.52\% (J(sc) of 11.16 mA/cm(2), V-oc of 862 mV, and ff of 78\%) with I-/I-3(-) electrolyte, whereas use of [Cu(tmby)(2)](+/2+) redox shuttle with SQA10 showed enhanced V-oc (1080 mV) and device efficiency (8.35\%). The IPCE profile for the device fabricated with SQA dyes showed good response at 480 and 560 nm, which indicates the photocurrent generation from the aggregated structures.

}, keywords = {aggregation of dyes, charge recombination, Dye-sensitized solar cells, indoline and indolenine donors, visible-light-activeunsymmetrical squaraine dye}, issn = {2574-0962}, doi = {10.1021/acsaem.4c03116}, author = {Jadhav, Avinash P. and Singh, Ambarish Kumar and Shivankar, Bhavana R. and Siby, Jesna and Krishnamurty, Sailaja and Krishnamoorthy, Kothandam and Nithyanandhan, Jayaraj} } @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 {49600, title = {Enhanced mid-visible light absorption and long-lived charge carriers in an electronically and structurally integrated BiVO4-TiO2 photoanode for efficient artificial photosynthesis applications}, journal = {Nanoscale}, volume = {17}, year = {2025}, month = {MAY}, pages = {12738-12750}, type = {Article}, abstract = {

The ever-increasing demand for sustainable solutions for eliminating environmental pollutants, solar energy harvesting, water splitting, etc. have led to the design and development of novel materials to achieve the desired result. In this regard, structurally and electronically integrated (SEI) BiVO4-TiO2 (SEI-BVT) with abundant heterojunctions has emerged as a promising entity for efficient charge separation, which in turn enhances artificial photosynthesis (APS) activity. The present work adopted a unique synthetic strategy using SILAR to fabricate SEI-BVT from ionic precursors (Bi3+ and VO43-) into the pores of TiO2, exhibiting benchmark APS efficiency compared to the individual components. This preparation results in approximately 180 trillion uniformly distributed heterojunctions in 1 mg cm-2 of the SEI-BVT photoanode material. Charge carriers in SEI-BVT and BiVO4 are similar; however, the recombination is highly hindered when SEI-BVT heterojunctions are formed in the former. Our earlier work demonstrated 31-38\% solar-to-fuel efficiency (STFE) with BiVO4-TiO2 for APS in the presence of the Pd-nanocube co-catalyst. The emphasis of the current work is to explore the dynamics of the light-induced processes in these heterojunctions to understand the interfacial charge transfer process. Femtosecond transient absorption (TA) spectroscopy has been employed to monitor the excited state dynamics. Our results show that new trap states have evolved under light illumination, which are significantly long-lived and hinder charge recombination, and consequently enhance STFE. A significantly large number of charge carriers exhibit a lifetime of \>\> 6 ns with visible light photons, at least up to 720 nm, which is higher than the band-gap absorption onset at 490 nm for SEI-BVT compared to bulk BiVO4. The rate of formation of charge carriers is significantly affected in the heterojunctions.

}, issn = {2040-3364}, doi = {10.1039/d5nr00723b}, author = {Jha, Vikas Kumar and Salgaonkar, Kranti N. and Saha, Avishek and Gopinath, Chinnakonda S. and Iyer, E. Siva Subramaniam} } @article {49865, title = {Enhancement of mechanical and rheological properties of PA-12 through silane modification}, journal = {Bulletin of Materials Science}, volume = {48}, year = {2025}, month = {DEC}, pages = {146}, type = {Article}, abstract = {

This research examines the effects of silane modifications on polyamide 12 (PA-12) to improve its mechanical and thermal properties. The study employs a reactive extrusion technique to integrate various silanes-Dynasylan (R) AMEO, Dynasylan (R) 1189, Dynasylan (R) DAMO and Dynasylan (R) VPS 4721-at different concentrations (0.25, 0.5 and 0.75\%). Key findings reveal that silane modifications significantly enhance the tensile strength, impact resistance and viscoelastic behaviour of PA-12, with the Dynasylan (R) DAMO formulation achieving the highest tensile strength of 38.25 MPa vis-\& agrave;-vis 8.02 MPa for PA-12. The modifications also resulted in a reduction of crystallinity by over 35\%, contributing to improved toughness and impact strength. Rheological assessments indicate that the flow properties of PA-12 are positively altered, enhancing its complex viscosity and storage modulus, which are crucial for applications in automotive and aerospace industries. Thermal analysis through differential scanning calorimetry and thermogravimetric analysis confirms improved thermal stability, particularly in the 0.5\% Dynasylan (R) AMEO-modified sample, exhibiting an onset temperature of 421.87 degrees C. The study emphasizes the importance of the silane type and dosage in tailoring PA-12{\textquoteright}s performance for advanced applications, suggesting future research directions to further refine silane-modification techniques for enhanced polymer performance. This research provides valuable insights into polymer-modification strategies, highlighting the potential for silane treatments to optimize the mechanical, thermal and rheological properties of PA-12 for diverse industrial applications.

}, keywords = {mechanical properties, Polyamide 12 (PA-12), reactive extrusion, rheological behaviour, silane modification, thermal stability}, issn = {0250-4707}, doi = {10.1007/s12034-025-03510-6}, author = {Jadhav, V. Pravin and Mahajan, Digvijay and Patil, Prashant and Umbarkar, Shubhangi B. and Pol, Harshawardhan} } @article {49947, title = {Europium oxide on carbon nitride for electrocatalytic glycerol oxidation coupled with hydrogen evolution reaction}, journal = {Separation and Purification Technology}, volume = {372}, year = {2025}, month = {NOV }, pages = {133442}, type = {Article}, abstract = {

{The integration of the electrochemical glycerol oxidation reaction (GOR) with the hydrogen evolution reaction (HER) has emerged as a promising alternative to the sluggish oxygen evolution reaction (OER) in water splitting toward the development of renewable and clean energy sources. However, suitable electrodes that facilitate redox kinetics while increasing the selectivity of the desired product(s) are still required. Herein, a series of europium oxide (Eu2O3) anchored on graphitic carbon nitride (g-CN) nanoaggregates (g-CNEux

}, keywords = {carbon support, electrocatalysis, Glycerol, HER, Rare earth metal}, issn = {1383-5866}, doi = {10.1016/j.seppur.2025.133442}, author = {Jana, Jayasmita and Sharma, Tata Sanjay Kanna and Ghanem, Mohamed A. and Choi, Won Mook and Gopinath, Chinnakonda S. and Hur, Seung Hyun} } @article {49914, title = {Exploring the electronic modulation in controlling the activity and selectivity of Ni-Au-In based catalyst in atmospheric pressure CO2 hydrogenation}, journal = {Chemical Engineering Journal}, volume = {520}, year = {2025}, month = {SEP }, pages = {165921}, type = {Article}, abstract = {

Nickel-based catalysts are widely used for the hydrogenation of CO2 but encounter stability challenges during prolonged reactions and at elevated temperatures. At atmospheric pressure, nickel primarily promotes methane formation in CO2 hydrogenation reactions. In this work, we demonstrate that the stability and activity of nickel can be significantly enhanced through gold (Au) modification. Furthermore, we achieve a near-complete selectivity switch from methane to CO by incorporating indium (In), mediated through the formation of Au-In alloy. This catalyst exhibits excellent CO2 conversion and CO selectivity at relatively lower temperatures (400 degrees C), addressing a major bottleneck in the Reverse Water-Gas Shifts (RWGS) reaction. XPS studies demonstrate an interesting electron transfer mechanism facilitated by gold, which involves the formation of electronrich Au species (Au delta-) and the development of Au-In alloys. This process improves the reducibility of nickel oxide while allowing a fraction of nickel to remain in its metallic form, managing a facile hydrogenation process and regulating the shift in selectivity from CH4 to CO.

}, keywords = {Alloy formation, Bimetallic catalyst, CO2 hydrogenation, RWGS, Selectivity switch, synergy, Trimetallic catalyst, XPS (X-ray photoelectron spectroscopy)}, issn = {1385-8947}, doi = {10.1016/j.cej.2025.165921}, author = {Bajpai, Jyotsna P. and Gupta, Sharad and Goud, Devender and Deka, Diku Raj and V. Jagtap, Anuradha and Kumar, Pawan and Ahamed, Momin and Peter, Sebastian C. and Vinod, C. P.} } @article {49589, title = {Extraction of highly crystalline and thermally stable cellulose nanofiber from Heliconia psittacorum L.f. leaves}, journal = {International Journal of Biological Macromolecules}, volume = {308}, year = {2025}, month = {MAY}, pages = {142264}, type = {Article}, abstract = {

Extracting cellulose nanofibers (CNF) from agro-waste is one of the promising and practical ways to develop sustainable nanocomposites. In this study, cellulose nanofibers were extracted from the leaves of Heliconia psittacorum for the first time. The combination of oxalic acid hydrolysis (5 wt\%) and steam explosion was used for the isolation of CNF from the leaves of Heliconia psittacorum. The structural and chemical features of the prepared CNF were analyzed using various techniques, including Fourier Transform Infrared Spectroscopy (FTIR), Solid state 13C Nuclear Magnetic Resonance Spectroscopy (13C NMR), Scanning Electron Microscopy (SEM), Energy Dispersive X ray analysis (EDX), Transmission electron Microscopy (TEM), X-Ray Diffraction (XRD) and Thermogravimetric analysis (TGA). TEM micrographs reported 15 to 40 nm diameter for the nanofibers synthesized. XRD analysis reported 91 \% crystallinity index for CNF, whereas that of the untreated sample was 76 \%. The maximum degradation of the CNF is reported at 355 degrees C, exceeds the untreated sample (316 degrees C). The tensile strength of the CNF derived paper was found to be 23 MPa. The recovered nanocellulose can be further utilized for various applications such as the automobile industry for developing lightweight parts, biosensors, super capacitors, absorption of greenhouse gases, wastewater treatment, and packaging applications.

}, keywords = {biomass valorization, Nanocellulose, Waste to resource}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2025.142264}, author = {Paul, Sharon and Joseph, Anto and Hridhya, P. D. and Badawi, Michael and Ajithkumar, T. G. and Parameswaranpillai, Jyotishkumar and Asrofi, Mochamad and Dominic, C. D. Midhun} } @article {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 {49348, title = {Far-red active squaraine dye-sensitized photoanode for dye-sensitized solar cells with a copper (II/I) electrolyte}, journal = {Journal of Photochemistry and Photobiology A-Chemistry}, volume = {459}, year = {2025}, month = {FEB }, pages = {116086}, type = {Article}, abstract = {

In dye-sensitized solar cells (DSSC), controlling the dye-aggregation on TiO2 and charge recombination between electrons present in TiO2 and electrolyte can be achieved by wrapping the long alkyl groups around the dye structure and further introducing bulky donor on the dye is a potential approach to enhance both the open-circuit potential and short-circuit current parameters. Additionally, bulky donor containing dye structures modulates the photophysical and electrochemical properties of the sensitizer which helps reducing the over potentials required for the dye regeneration process by utilizing a multidentate ligand containing [Cu(tme)]2+/+ and I- /I3redox electrolytes. Hagfeldt donor appended far-red NIR active unsymmetrical squaraine dye (SQ-HF) has been designed, synthesized, and characterized. SQ-HF dye showed an intense absorption at 676 nm (epsilon 1.7 x 105 M- 1cm- 1). Photophysical and electrochemical studies indicated that the LUMO and HOMO energy levels of the SQ-HF dye were suited for charge injection (from the LUMO of the dye to the conduction band of TiO2) and dyeregeneration processes, respectively. The DSSC device efficiency of 5.15 \% (JSC of 10.83 mA/cm2 and VOC of 0.690 V) has been achieved for SQ-HF dye by utilizing a literature reported [Cu(tme)]2+/+ and 4.11 \% (JSC of 8.74 mA/cm2 and VOC of 0.702 V) in I- /I3- redox shuttles, respectively.

}, keywords = {aggregation of dyes, Bulky donor, dye-sensitized solar cell, Photocurrent generation, squaraine dye}, issn = {1010-6030}, doi = {10.1016/j.jphotochem.2024.116086}, author = {Nawghare, Indrajeet S. and Deshmukh, Shivdeep Suresh and Joshi, Krati and Krishnamurty, Sailaja and Krishnamoorthy, Kothandam and Nithyanandhan, Jayaraj} } @article {49689, title = {From signals to sustenance: the role of biogenic amines in insect feeding behavior}, journal = {Journal of Insect Behavior}, volume = {38}, year = {2025}, month = {JUN}, pages = {15}, type = {Review}, abstract = {

Insect feeding is a complex and finely-tuned behavior that notably impacts their physiological and metabolic processes. Chemical signals and cues, chemosensation, motor response, and physiological changes govern responses to food resources. The role of biogenic amines in regulating feeding is essential, as they significantly affect locomotory changes and nutrient assimilation. Octopamine, tyramine, dopamine, serotonin, and other biogenic amines are neuromodulators, neurotransmitters, and neurohormones. Octopamine and tyramine have contrasting effects on food-seeking and foraging behavior regulation. The interaction among biogenic amines and their respective receptors initiates diverse signaling pathways by modifying the concentrations of intracellular secondary messengers like Ca2+, AMP, and other molecules. These signal transductions regulate various physical and metabolic processes, directly influencing feeding behavior and digestive physiology. Furthermore, dopamine triggers a negative response, whereas serotonin plays a positive role in regulating feeding behavior. Biogenic amines underlie synchronized and interconnected molecular mechanisms, along with unique individual effects. It is fascinating to consider these interrelated activities and the impacts of bioamine on insect feeding behavior. In this review, we discuss the roles of insect biogenic amines and their cross-talk in insect feeding and foraging behavior.

}, keywords = {Biogenic amines, feeding behavior, octopamine, Signal transduction, tyramine}, issn = {0892-7553}, doi = {10.1007/s10905-025-09879-w}, author = {Patil, Yogita P. and Joshi, Rakesh S.} } @article {49576, title = {Is GCR1 the GPR157 of plants?}, journal = {PLANT PHYSIOLOGY}, volume = {197}, year = {2025}, month = {FEB}, type = {Letter}, issn = {0032-0889}, doi = {10.1093/plphys/kiaf057}, author = {Gotkhindikar, Aditi and Chakravorty, David and Sengupta, Durba and Joshi, Manali and Assmann, Sarah M.} } @article {49977, title = {Graphene oxide-cyclopentylamine (GO-d-CP) liquid crystals as a novel alignment medium for anisotropic nmr with analyte recovery}, journal = {Chemistry{\textemdash}Methods}, volume = {5}, year = {2025}, month = {APR}, pages = {e202400039}, type = {Article}, abstract = {

In this study, we present graphene oxide derivatized with cyclopentylamine (GO-d-CP) as a DMSO-compatible liquid crystal alignment medium that is free from any background NMR signal for application in anisotropic NMR. This novel alignment medium facilitates optimal isotropic and anisotropic conditions within a single sample preparation, controlled by sonication, thereby enabling the measurement of anisotropic NMR parameters- residual dipolar couplings (RDC) and residual chemical shift anisotropy (RCSA). GO-d-CP offers several advantages, including ease of synthesis, isolation of solid GO-d-CP as a stable non-hygroscopic material, and maintenance of the anisotropic state stability \>30 days, allowing for prolonged and repetitive experiments. Notably, post the analysis it allows for easy recovery of valuable analytes as well as GO-d-CP for reuse, enabling the routine application of anisotropic NMR in structural analysis of small molecules. We demonstrate its efficacy by analyzing the relative stereochemistry of four compounds - estrone, santonin, griseofulvin, and cinmethylin - using anisotropic NMR data.

}, doi = {https://doi.org/10.1002/cmtd.202400039}, author = {Jatheendranath, Sandesh Chickmagalur and Das, Akhi and Deshpande, Sudhindra H. and Nath, Nilamoni and Maier, Walter and Streitferdt, Verena and Marelli, Udaya Kiran} } @article {49595, title = {Graphitic-C3N4/γ-Al2O3 composite catalyst for synthesis of 5-(Hydroxymethyl) furfural from d-Glucose}, journal = {Energy \& Fuels}, volume = {39}, year = {2025}, month = {APR }, pages = {8529-8539}, type = {Article}, abstract = {

Currently, the synthesis of 5-hydroxymethylfurfural (5-HMF), with high yields and selectivity from different renewable sources, is an important focus in the biomass conversion area. In the present study, a g-C3N4/gamma-Al2O3(1:1) composite catalyst was prepared using graphitic carbon nitride (g-C3N4) and acidic gamma-alumina (gamma-Al2O3), which was evaluated for its catalytic activity in converting sugars, mainly glucose, to 5-HMF. In the g-C3N4/gamma-Al2O3(1:1) catalyst, N-containing groups on g-C3N4 provided basicity and gamma-Al2O3 provided Lewis acidity to the catalyst. The g-C3N4/gamma-Al2O3(1:1) composite catalyst showed superior activity for 5-HMF synthesis compared to gamma-Al2O3 and g-C3N4 alone. The increased acidic and basic properties of the g-C3N4/gamma-Al2O3(1:1) catalyst significantly influenced both glucose-to-fructose isomerization and dehydration of fructose to HMF by increasing the yield of 5-HMF. In addition, the solvent DMSO:water also played an important role in the one-pot conversion of glucose to HMF by minimizing side reactions, which significantly improved the 5-HMF yield. The reaction was optimized for various solvents, temperatures, and catalyst concentrations to get a maximum yield of 91\% from glucose with \>99\% selectivity of crude 5-HMF. Other sugars like fructose, sucrose, and lactose also provided good yields of 5-HMF. The g-C3N4/gamma-Al2O3(1:1) catalyst was stable and was effectively reused for up to four cycles.

}, issn = {0887-0624}, doi = {10.1021/acs.energyfuels.5c00390}, author = {Kirdant, Swapnali P. and Ghadge, Sambhaji S. and Jadhav, Vrushali H.} } @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 {50004, title = {Heterolytic cleavage of the B{\textendash}H bond in H3B{\textperiodcentered}L (L = THF, NMe2H) by an electrophilic Ir(iii) pincer complex [Ir(H)(PMe3)(tBu4POCOP)][BAr F4]}, volume = {55}, year = {2025}, month = {NOV}, pages = {476-491}, type = {Article}, abstract = {
Six- and five-coordinate iridium complexes, [Ir(H)Cl(PMe3)(tBu4POCOP)] (2) (tBu4POCOP = κ3-C6H3-2,6-(OPtBu2)2) and [Ir(H)(PMe3)(tBu4POCOP)][BArF4] (3), respectively, have been synthesized and characterized. The reactivity of the electrophilic 16-electron iridium(III) complex\ 3\ with H2, H3B{\textperiodcentered}THF, H3B{\textperiodcentered}NMe2H, and H3B{\textperiodcentered}NMe3\ was investigated. The reaction of complex\ 3\ with H2\ resulted in the formation of\ trans-[Ir(H)(η2-H2)(PMe3)(tBu4POCOP)][BArF4] complex\ 5. Complex\ 3\ was found to activate the B{\textendash}H bonds in H3B{\textperiodcentered}THF and H3B{\textperiodcentered}NMe2H (DMAB) in a heterolytic fashion. The reaction of complex\ 3\ with H3B{\textperiodcentered}THF at 298 K afforded\ trans-[Ir(H)2PMe3(tBu4POCOP)] complex\ 6\ and a boronium compound, [H2B(THF)2][BArF4]. Monitoring the reaction from 179 to 298 K by NMR spectroscopy revealed the formation of a σ-borane intermediate,\ trans-[Ir(H)(η1-HBH2{\textperiodcentered}THF)PMe3(tBu4POCOP)][BArF4] (3a-Int),\ en route\ to the final products observed at 298 K. The formation of this intermediate species was also investigated by density functional theory (DFT) calculations. The reaction of complex\ 3\ with H3B{\textperiodcentered}NMe2H at 298 K yielded a mixture of complexes\ 3\ and\ 5\ and a cyclic diborazane [H2BNMe2]2. The reaction was found to proceed\ via\ intermediates, a σ-borane complex,\ trans-[Ir(H)(η1-HBH2{\textperiodcentered}NMe2H)PMe3(tBu4POCOP)][BArF4] (3b), complex\ 6, [(NHMe2)2BH2][BArF4], and H2B[double bond, length as m-dash]NMe2. Complex\ 3\ exhibited no reactivity with H3B{\textperiodcentered}NMe3.

}, doi = {DOI https://doi.org/10.1039/D5DT01780G}, author = {Pradhan, Mitarani and Surati, Zeel Y. and Pal, Apurba Kumar and Vanka, Kumar and Jagirdar, Balaji R.} } @article {49574, title = {Heteropolyacid-assisted efficient one-pot synthesis of ethyl levulinate from biorenewable feedstocks}, journal = {Energy \& Fuels}, volume = {39}, year = {2025}, month = {JAN }, pages = {3131-3139}, type = {Article}, abstract = {

Amid rising environmental concerns over fossil fuel dependence, biomass-derived alkyl levulinates, particularly ethyl levulinate (EL), have gained prominence due to their versatility in applications ranging from biofuels to lubricants and green solvents. This study presents an efficient, one-pot catalytic conversion of various carbohydrates (glucose, fructose, and sucrose) into EL using a tailored Keggin-type heteropolyacid catalyst with a vanadium-to-tungsten atom ratio of 1:11. Vanadium substitution imparts higher acidity and redox properties to the catalyst, which is reflected in the catalytic performance. The catalyst demonstrated outstanding performance, achieving high EL yields of 98 +/- 1\% from sucrose, 93 +/- 2\% from fructose, and 82 +/- 2\% from glucose under batch processing conditions (180 degrees C, absolute ethanol solvent, 27 wt \% catalyst, 2 h). The high yield of EL may be assigned to the presence of both Br \& oslash;nsted and Lewis acid sites, which promotes key reactions like isomerization and ethanolysis. Moreover, a significant EL yield of 85 +/- 2\% was obtained from cellulose feedstock, which showcases the efficiency of this catalyst. The use of absolute ethanol as solvent enhanced esterification prospects, preventing hydrolysis and promoting higher EL yields, while the presence of water as cosolvent favored the formation of levulinic acid. These findings demonstrate the potential of vanadium-substituted heteropolyacid catalysts for efficient biomass valorization, offering a sustainable pathway for the large-scale production of EL from renewable feedstocks.

}, issn = {0887-0624}, doi = {10.1021/acs.energyfuels.4c05189}, author = {Jagannivasan, Gopika and Haridas, Suja and Marimuthu, Banu and Mukundan, Swathi} } @article {49577, title = {High-performance polysulfide-trapping lithium sulfur battery cathode: cubic Co3O4 catalyst within a nitrogen-doped entangled graphene framework}, journal = {ChemElectroChem}, volume = {12}, year = {2025}, month = {FEB}, pages = {e202400488}, type = {Article}, abstract = {

The cycling performance of lithium-sulfur (Li-S) batteries is hampered by polysulfide dissolution which impacts the overall performance of Li-S batteries. Here we report the synthesis and characterization of polysulfide trapping cathode material for Li-S batteries based on Co3O4 nanocubes supported within a nitrogen-doped entangled graphene (Co3O4/NEGF). The highly porous conductive graphene network is shown to facilitate fast electron transport and ion diffusion while the nitrogen dopants and polar Co3O4 offer both abundant active sites for polysulfide conversion while promoting intermediate polysulfide binding. The porous structure allows for high sulfur loading of 76.4 wt \% (S@Co3O4/NEGF), while efficiently accommodating volumetric expansion during charge-discharge. The Co3O4/NEGF cathode composite exhibited a high specific capacity of 1143 mAh g-1 at a current density of C/20 and maintained a 79 \% reversible capacity after 200 cycles at C/5.

}, issn = {2196-0216}, doi = {10.1002/celc.202400488}, author = {Manna, Narugopal and Soni, Roby and Young, R. S. and Jervis, Rhodri and Miller, Thomas S.} } @article {49596, title = {Hot injection assisted electronically modulated twin and grain boundary rich sub-2 nm pt3co alloy resistant to phosphate ion for PEMFCs}, journal = {Small}, volume = {21}, year = {2025}, month = {MAY}, type = {Article}, abstract = {

Modulation of the electronic d-band center, structural defects (line defects), and particle size of Pt3Co alloy electrocatalyst have huge significance in elevating its electrochemical oxygen reduction reaction activity. Deviating from traditional high-temperature strategies, the current work focuses on ripening these benefits by implying a simple economically viable hot-injection-assisted modified polyol process. A conclusive control over decrementing particle size starting from 2.7 to 1.3 nm, an increasing degree of strain (twin boundary), and shifting of the d-band center away from the Fermi level are obtained via varying the temperature to which the solution is injected. The catalyst prepared via the injection at 200 degrees C (Pt3Co(1.3 t,g-b)/fVC-200) has delivered an electrochemical surface area of 84 m(2) g(Pt)(-1) with the onset and half-wave potentials of 0.980 and 0.858 V, respectively, versus RHE and a limiting current of -6.0 mA cm(-2) with stability till 20k cycles. In the high-temperature proton exchange membrane fuel cell Pt3Co(1.3 t,g-b)/fVC-200-based cell has outperformed Pt/C rendering 600 mWcm(-2) under H-2-Air compared to 529 mWcm(-2) of Pt/C with 20\% lower Pt loading and double the stability due to enhanced resistance toward phosphoric acid for accelerated voltage cycling. A similar enhancement is seen while employing the catalyst for low-temperature fuel cells.

}, keywords = {electrocatalyst, grain boundary, hot injection synthesis, modified polyol process, oxygen reduction reaction, proton exchange membrane fuel cell, Pt3Co alloy, twin boundary, valance band X-ray photoelectron spectroscopy}, issn = {1613-6810}, doi = {10.1002/smll.202500954}, author = {Singh, Mayank U. and Jadhav, Swapnil D. and Shivankar, Bhavana R. and Pandikassala, Ajmal and Kumar, Yogesh and Krishnamurty, Sailaja and Vinod, C. P. and Kurungot, Sreekumar} } @article {49721, title = {Hydrogenation of CO2 catalyzed by thermally decomposed cobalt-containing alkaline earth metal carbonates}, journal = {Energy \& Fuels}, volume = {39}, year = {2025}, month = {JUN}, pages = {12982-12991}, type = {Article}, abstract = {

CO2 hydrogenation over Co catalysts supported on alkaline earth metal oxides was investigated. The catalysts were prepared by thermally decomposing alkaline metal carbonates CoMCO3, where M = Mg, Ca, Sr, and Ba, in H2. During the thermal activation, contingent upon the thermal stability of the precursor, it transformed into a composite of metal oxides, metals, and undecomposed metal carbonates. The thermal activation temperature, the ratio of CO2 to H2, the composition, and the basicity of the catalyst all played a significant role in influencing the conversion of CO2 and the selectivity to CH4. Among the various Co-containing alkaline earth metal carbonate precursors, CoCaCO3 activated at 400 degrees C yielded the highest steady-state CO2 conversion of 54\% with a CH4 selectivity of 89.8\% throughout 28 h in the reaction stream containing a 1:4 ratio of CO2 and H2. Detailed characterization showed that the CaCo-400 catalyst contained metallic Co, CaO, and undecomposed CaCO3 phases. The study assumes significance in understanding the role of the composition of catalysts in the formation of CO2 hydrogenation.

}, issn = {0887-0624}, doi = {10.1021/acs.energyfuels.5c01793}, author = {Gupta, Sharad and Vinod, C. P. and Poupin, Christophe and Jagadeesan, Dinesh} } @article {49940, title = {Identification of genetic variations linked to buparvaquone resistance in Theileria annulata infecting dairy cattle in India}, journal = {Plos One}, volume = {20}, year = {2025}, month = {JUL}, pages = {e0326243}, type = {Article}, abstract = {

Buparvaquone (BPQ) is used for the treatment of bovine theileriosis, a tickborne disease caused by parasites of the Theileria genus. Studies on T. annulata have linked the mechanism of BPQ resistance predominantly to genetic variations in the parasite cytochrome b (cytb) gene. In addition, cryptic mechanisms of resistance involving the parasite peptidyl-prolyl isomerase (pin1) and dihydroorotate dehydrogenase (dhodh) genes require assessment. In India, where bovine theileriosis is endemic, and BPQ is widely used for treatment, it is necessary to establish the prevalence of genetic variations linked to BPQ resistance. In this study, multiplexed PCR amplification and nanopore sequencing method was used for genotyping the complete gene loci of the three target genes. Analysis of 454 T. annulata field samples collected from seven different states of India revealed the presence of previously reported BPQ resistance associated variations S129G, A146T and P253S in cytb gene and A53P in pin1 gene. The A146T and I203V variations in cytb were found to be prevalent and mostly co-occurring, and their role in BPQ resistance needs further evaluation. This study has revealed the presence of previously reported BPQ resistance-linked mutations in cytb and pin1 genes in T. annulata infecting dairy cattle in India and establishes an Oxford nanopore sequencing method suitable for large-scale surveillance of genetic variation in Theileria parasites from field samples.

}, doi = {10.1371/journal.pone.0326243}, author = {Musale, Pankaj and Khilari, Ajinkya and Gade, Rohini and Dhanikachalam, Velu and Jadhav, Santoshkumar and Bajpai, Manali and Turakani, Bhagya and Joshi, Akshay and Prajapati, Amar and Srivastava, Anand and Swaminathan, Marimuthu and Joshi, Sachin and Shanmugam, Dhanasekaran} } @article {49694, title = {In situ engineered triple phase boundary enhancement in 3D structured carbon supported catalyst for high-temperature PEMFC}, journal = {Journal of Materials Chemistry A}, volume = {13}, year = {2025}, month = {JUL}, pages = {21847-21863}, type = {Article}, abstract = {

Enhancing platinum (Pt) utilization in polymer electrolyte membrane fuel cells (PEMFCs) requires optimizing the catalyst support microstructures to expand the triple-phase boundary (TPB). A promising method has been reported here which employs a three-dimensional (3D) catalyst support with an in situ-generated ionomer interface from preadmitted monomer molecules, potentially replacing the traditional Nafion ionomers. The small-sized monomers infiltrate the catalyst{\textquoteright}s pores, and UV curing polymerizes them into an extended interfacial network within the 3D carbon support. The single-cell analysis of the membrane electrode assemblies (MEAs) in high-temperature PEMFCs (HT-PEMFCs) using phosphoric acid-doped polybenzimidazole (PBI) membranes highlights the effectiveness of this approach. The strategy helps to achieve a current density of 1.06 A cm-2 and 0.49 A cm-2 at 0.60 V in H2-O2 and H2-air feed conditions, respectively. These values represent a significant improvement over the conventional Nafion ionomer-based MEAs, which exhibit current densities of 0.87 A cm-2 and 0.40 A cm-2 under H2-O2 and H2-air feeds, respectively, when utilizing a platinum-supported carbon (Pt/C) catalyst. When Pt nanoparticles are decorated on a high-surface-area, porous 3D interconnected carbon support synthesized via the carbonization of the polydopamine-coated melamine foam (Pt/3DPDC), the conventional Nafion ionomers tend to block the nanopores in the 3D carbon supports, leading to the underutilization of the Pt active sites. In contrast, the in situ ionomer approach enabled the system to deliver 0.93 A cm-2 at 0.60 V H2-O2 feed conditions, which is significantly higher than 0.38 A cm-2 obtained with the Nafion-based ionomers under similar conditions. This approach successfully makes use of the Pt active sites present in the nanopores and tackles the issues of mass transfer and reactant distribution, both of which are essential for expanding fuel cells from single cells to stacks. The exhibited method emphasizes how crucial it is to develop process-friendly electrocatalysts and complementary electrode manufacturing techniques in order to advance the PEMFC performance through a novel scientific path.

}, issn = {2050-7488}, doi = {10.1039/d5ta02793d}, author = {Pandikassala, Ajmal and Jadhav, Swapnil D. and Kurian, Maria and Kurungot, Sreekumar} } @article {49526, title = {Investigations into the nucleation dynamics of the stable Na-metal anode: revealing the role of a tin-infused carbon nanofiber interlayer}, journal = {ACS Applied Materials \& Interfaces}, volume = {17}, year = {2025}, month = {FEB}, pages = {12281-12290}, type = {Article}, abstract = {

Fundamental understanding and controlling of sodium nucleation are essential for enhancing the performance, safety, and longevity of sodium metal batteries, which is not yet clearly understood in the case of sodium metal batteries. The present study showcases how a modification in the host material influences nucleation kinetics. Current-time transient studies on copper, carbon nanofiber, and tin-embedded carbon nanofiber interlayers employing the Scharifker-Hills model elucidate the mode of nucleation. This work tries to delve deep and presents a case study on how a tin-based interlayer can not only minimize the barrier for sodium nucleation but also direct the sequential progressive and instantaneous nucleation of sodium metal while reducing the overpotential substantially, resulting in crystalline, uniform Na-metal deposition. Further, to account for the complex dynamics of solid electrolyte interphase (SEI) formation distinctly associated with alkali metal deposition, the SEI-fracture model has been included, and the quantification of electrochemical nucleation parameters is obtained. The results provide important insights into the sodium nucleation mechanism, paving the way to counter dendrite formation and SEI dissolution issues of the Na-metal anode.

}, keywords = {overpotential, progressiveand instantaneous nucleation, Scharifker-Hills model, SEI-fracture model, tin interlayer}, issn = {1944-8244}, doi = {10.1021/acsami.4c21837}, author = {Wasnik, Kundan and Yadav, Poonam and Ahuja, Manuj and Mirzapure, Vinay and Johari, Priya and Shelke, Manjusha V.} } @article {49938, title = {LDH-dsRNA nanocarrier-mediated spray-induced silencing of juvenile hormone degradation pathway genes for targeted control of Helicoverpa armigera}, journal = {International Journal of Biological Macromolecules}, volume = {332}, year = {2025}, month = {DEC}, pages = {148673}, type = {Article}, abstract = {

Helicoverpa armigera, a devastating agricultural pest, poses significant threats to global crop productivity. Targeting the Juvenile Hormone (JH) degradation pathway may offer a promising approach for pest management, given its pivotal role in insect development and reproduction. In this study, we developed a nanoclay-based formulation of double-stranded RNA (dsRNA) targeting three key JH degradation pathway genes: Juvenile Hormone Esterase (HaJHE), Juvenile Hormone Epoxy Hydrolase (HaJHEH), and Juvenile Hormone Diol Kinase (HaJHDK). Expression analysis revealed tissue and stage-specific patterns of these genes, with qRT-PCR confirming high expression levels of specific isoforms in key developmental transition: the pre-pupal stage. Treatment with bacterially expressed dsRNAs achieved \>50 \% silencing of target genes, resulting in delay in larval-to-pupal transitions. Bioassay demonstrated that treatment with LDH-based dsRNA nanocarrier resulted in downregulation of target genes, causing developmental delays, including prolonged larval and pupal stages. Metabolomic analysis further indicated reduced accumulation of JH degradation pathway metabolites, highlighting the pathway-specific action of dsRNAs. Furthermore, combinatorial application of dsRNAs resulted in higher mortalities compared to individual dsRNA application. These results suggest that the application of the LDH-based dsRNA nanocarrier formulation against H. armigera JH degradation pathway for spray-induced gene silencing could serve as a potential insect management strategy.

}, keywords = {Development, dsRNA, Helicoverpa armigera, Juvenile hormone, Layered double hydroxide, Nanocarrier}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2025.148673}, author = {Joshi, Kaumudi S. and Barvkar, Vitthal T. and Hadapad, Ashok B. and Hire, Ramesh S. and Joshi, Rakesh S.} } @article {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 {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 {49532, title = {MH-PCTpro: a machine learning model for rapid prediction of pressure-composition-temperature (PCT) isotherms}, journal = {Iscience}, volume = {28}, year = {2025}, month = {APR }, pages = {112251}, type = {Article}, abstract = {

We present a machine-learning powered Metal Hydride{\textquoteright}s Pressure-Composition-Temperature isotherm Predictor (MH-PCTpro) for metal compositions. To train the MH-PCTpro, an experimental database of PCT isotherms is built from published literature. The database comprises over 14,000 data points extracted from 237 PCT isotherms representing 138 distinct compositions. The dataset encompasses more than 25 elements and spans a broad spectrum of absorption temperatures (263-653 K) and hydrogen pressures (0.001-40 MPa). The model is validated on a wide range of alloy families and its predictions are consistent with experimental results. The model also captures temperature-dependent variations in plateau pressure, enabling determination of enthalpy and entropy of hydride formation through Van{\textquoteright}t Hoff plots. Hence, MH-PCTpro can be used as an ML tool for guiding PCT experiments, offering PCT isotherm predictions and valuable thermodynamic insights into materials suitable for solid-state hydrogen storage.

}, doi = {10.1016/j.isci.2025.112251}, author = {Verma, Ashwini and Joshi, Kavita} } @article {50000, title = {Modification of some steps in the synthesis of Ivacaftor by mechano-chemical approach}, journal = {Sustainable Chemistry for Climate Action}, volume = {7}, year = {2025}, month = {DEC}, pages = {100097}, type = {Article}, abstract = {

Recently implementation of the mechano-chemistry approach for carrying out some of the steps in the synthesis of API{\textquoteright}s, is considered an attractive and environment friendly approach as it permits solvent-free reactions or the use of activators for the reaction, making the process efficient and economical. In this study, we focused on the modification of some steps in the drug Ivacaftor, which is one of the most expensive drugs in the market. For the first time, a mechano-chemical approach was employed to replace some steps in the synthesis of Ivacaftor. One of the fragment 5-amino-2,4-di-tert-butyl-phenol (5) required in the synthesis of Ivacaftor was prepared in two steps from commercially available 2, 4-bis(1,1-dimethylethyl)-5-nitrophenyl methyl carbonate (6) by mechano-chemistry approach in good yields. In the last step, fragment 5-amino-2,4-di-tert-butyl-phenol (5) was coupled with 4-quinolone-3-carboxylic acid\ (4)\ using mechano-chemistry to obtain Ivacaftor (1) in good yields. The advantage of this methodology was it avoided the use of solvent in all three steps of ivacaftor synthesis, making the process efficient and economical.

}, doi = {https://doi.org/10.1016/j.scca.2025.100097}, author = {Bankar, Shubham R. and Jadhav, Vrushali H.} } @article {49583, title = {Monitoring influenza A (H1N1, H3N2), RSV, and SARS-CoV-2 using wastewater-based epidemiology: A 2-year longitudinal study in an Indian megacity covering omicron and post-omicron phases}, journal = {Food and Environmental Virology}, volume = {17}, year = {2025}, month = {MAR}, pages = {3}, type = {Article}, abstract = {

{The bourgeoning field of wastewater-based epidemiology (WBE) for the surveillance of several respiratory viruses which includes Influenza A, H1N1pdm09, H3N2, respiratory syncytial viruses (RSV), and severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is of interest for public health concerns. However, there are few long-term monitoring studies globally. In this study, respiratory viruses were detected and quantified from 11 sewer sheds by utilizing reverse transcription-quantitative polymerase chain reaction analysis in Pune city, India, from Jan 2022 to Dec 2023. The RNA fragments of respiratory viruses were detected in sewage samples before clinical cases were reported, underscoring the potential of WBE for early detection and monitoring within the population. The Spearman correlation of wastewater viral copies was positively and significantly correlated with the clinically positive case of H1N1pdm09 (rho = 0.55

}, keywords = {Influenza A, Quantitative reverse transcription-PCR, Respiratory viruses, SARS-CoV-2, Wastewater-based epidemiology}, issn = {1867-0334}, doi = {10.1007/s12560-024-09618-y}, author = {Pramanik, Rinka and Nannaware, Kiran and Malik, Vinita and Shah, Priyanki and Sangewar, Poornima and Gogate, Niharika and Shashidhara, L. S. and Boargaonkar, Radhika and Patil, Dhawal and Kale, Saurabh and Bhalerao, Asim and Jain, Nidhi and Kamble, Sanjay and Dastager, Syed and Dharne, Mahesh} } @article {49684, title = {NHC-catalyzed allylation of aldehydes with MBH carbonates and their michael addition-elimination-cope rearrangement cascade: a route to rac-sacubitril}, journal = {Organic Letters}, volume = {27}, year = {2025}, month = {MAY}, pages = {5911-5916}, type = {Article}, abstract = {

We report herein a novel NHC-catalyzed transition-metal-free chemoselective allylation of aldehydes with Morita-Baylis-Hillman (MBH) carbonates using an inorganic base. Fascinatingly, the use of an organic base follows a different mechanism, leading to highly functionalized 1,5-dienes via a Michael addition-elimination reaction followed by [3,3]-sigmatropic Cope rearrangement. The described method harnesses a new Csp2-Csp3 bond to access alpha-methylene-gamma-oxo-gamma-substituted ester derivatives paving a way to facile synthesis of potent natural products and active pharmaceutical ingredients (APIs). A broad range of aromatic and aliphatic aldehydes with MBH carbonates was employed to provide a variety of interesting butanoate and dienyl ketone scaffolds in good to excellent yields. This chemistry has been extended to the efficient syntheses of rac-sacubitril API and gamma-butyrolactone scaffold, which is a privileged core present in many natural products and APIs

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.5c01820}, author = {Kale, Tushar B. and Jagtap, Sayali G. and Mhaske, Santosh B.} } @article {49916, title = {NHC/Phosphite Nickel(II) Precatalysts for the C-N Cross-Coupling of (Hetero)Aryl Chlorides under Mild Conditions}, journal = {ORGANIC LETTERS}, volume = {27}, year = {2025}, month = {SEP }, pages = {10526-10531}, type = {Article}, abstract = {

We report the synthesis of three nickel complexes based on Ni(NHC)[P(OR)3](Ar)Cl and their application in C(sp 2)-N cross-coupling reactions. Reactions involving secondary amines proceeded at room temperature, while anilines and primary alkyl amines coupled under mild heating. The reported complexes are air-stable as solids, operate at low catalytic loading, and do not require an exogenous ligand. Mechanistic studies suggest both free and Ni-bound phosphite are present during the reaction and that an isolated [Ni(NHC)(amine)(Ar)Cl] complex could be an on-cycle, catalytically active species.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.5c03230}, author = {Darandale, Nutan R. and John, Morgan E. and Moggach, Stephen A. and Sawant, Dinesh N. and Koutsantonis, George A. and Dorta, Reto and Stewart, Scott G.} } @article {49951, title = {Nigericin-induced apoptosis in acute myeloid leukemia via mitochondrial dysfunction and oxidative stress}, journal = {Oncology Research}, volume = {33}, year = {2025}, month = {AUG}, pages = {2161-2174}, type = {Article}, abstract = {

Background: Acute Myeloid Leukemia (AML) is a highly aggressive clonal hematological malignancy with limited treatment options. This study aimed to evaluate the therapeutic potential of nigericin, a polyether ionophore derived from Streptomyces DASNCL-29, as a mitochondrial-targeted agent for AML treatment. Methods: Nigericin was isolated from Streptomyces DASNCL-29 and characterized via chromatography and NMR. Its cytotoxicity was tested in MOLM13 (sensitive and venetoclax-resistant) and HL60 (sensitive and cytarabine-resistant) cells using the MTT assay. Mitochondrial dysfunction was assessed by measuring reactive oxygen species (ROS), mitochondrial membrane potential (Arum), and mitochondrial mass. Apoptosis was evaluated with Annexin V/PI assays and immunoblotting, while proteomic analysis was conducted using Liquid Chromatography-Tandem Mass Spectrometry (LC-MS/MS) to identify differentially regulated proteins. Results: Nigericin demonstrated potent cytotoxicity with IC50 values of 57.02 nM in MOLM13-sensitive, 35.29 nM in MOLM13-resistant, 20.49 nM in HL60-sensitive, and 1.197 nM in HL60-cytarabine-resistant cells. Apoptosis was confirmed by Annexin V/PI staining and caspase-3/PARP cleavage, along with MCL-1 downregulation. Mitochondrial dysfunction was evident from increased ROS, reduced Arum, and decreased mitochondrial mass. Proteomic profiling identified 264 dysregulated proteins, including a 3.8-fold upregulation of Succinate Dehydrogenase [Ubiquinone] Flavoprotein Subunit A (SDHA). Conclusion: Nigericin induces apoptosis in AML cells by disrupting mitochondrial function and enhancing oxidative stress. Its nanomolar potency highlights the need for further mechanistic studies and in vivo evaluations to explore its potential in AML treatment.

}, keywords = {Acute myeloid leukemia (AML), Antineoplastic agents, Apoptosis, Mitochondrial dysfunction, Nigericin}, issn = {0965-0407}, doi = {10.32604/or.2025.062951}, author = {Arun, Bhavyadharshini and Gopinath, Prarthana and Jha, Anup and Tripathi, Nishtha and Dastager, Syed G. and Hasan, Syed K.} } @article {49511, title = {Novel bifunctional inhibitor of protease and α-amylase from Clitorea ternatea restricts the growth and development in Spodoptera frugiperda}, journal = {International Journal of Biological Macromolecules}, volume = {305}, year = {2025}, month = {MAY}, pages = {141180}, type = {Article}, abstract = {

An inhibitor molecule capable of inhibiting a wide range of digestive enzymes without affecting endogenous enzymes is always desirable. We report characterization of CteTAI (M.W. 14 kDa), a bifunctional inhibitor (BFI) protein from the seeds of Clitoria ternatea capable of inhibiting trypsin and alpha-amylase. It retains trypsin inhibition activity up to 60 degrees C and alpha-amylase inhibition up to 40 degrees C. Trypsin inhibition is stable across pH 1-12, while alpha-amylase inhibition is stable between pH 3-7. CteTAI is a noncompetitive inhibitor of trypsin and an uncompetitive inhibitor of alpha-amylase. It selectively inhibits proteases and alpha-amylases from various sources, without affecting alpha-amylase from human saliva and Bacillus spp. Proteomic analysis identified CteTAI as a bifunctional inhibitor exhibiting 41 \% similarity to a bifunctional inhibitor from Sesbania bispinosa. Feeding Spodoptera frugiperda larvae with CteTAI-infused diet impaired energy metabolism, resulting in undernourished larvae and malformed adults incapable of flight and mating. Key nutritional indices (RGR, RCR, \%ECI, \%FDI) were severely reduced, indicating that CteTAI disrupts growth and development by inhibiting multiple protease and alpha-amylase isoforms. Biochemical characterization of newly identified CteTAI suggests its potential application in crop protection.

}, keywords = {alpha-Amylase inhibitors, Bifunctional inhibitor, Clitoria ternatea, Protease inhibitors, Spodoptera frugiperda}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2025.141180}, author = {Dongare, Pratiksha M. and Madage, Varsha A. and Deshpande, V. Neha and Joshi, Rakesh S. and Giri, Ashok P. and Pawar, Pankaj K.} } @article {49709, title = {Portal substituent modulations in chiral imido-Pd(II) cages for the enhanced separation of styrene oxide enantiomers}, journal = {Inorganic Chemistry}, volume = {64}, year = {2025}, month = {MAY}, pages = {10313-10319}, type = {Article}, abstract = {

Sensing and separation of enantiomers are crucial for the synthesis of biologically relevant compounds as well as for applications in catalysis and pharmaceutical development. Chiral coordination cages have gained significant attention as effective platforms for enantioselective processes through their well-defined, tunable cavities that facilitate host-guest interactions. In this study, we systematically explored the enantioselective binding and separation properties of two tetrahedral Pd(II) cages, 1-R and 2-R, with the molecular formula [Pd3(PO[N(RCH(CH3)Ph)3])4(C6O4X2)6] (X = Cl for 1-R, and X = F for 2-R). Their enantioselective abilities were investigated for small chiral molecules with diverse functional groups. Notably, the 2-R cage demonstrated a high enantioselectivity value of 88 for R-styrene oxide. Chiral separation experiments further revealed impressive enantiomeric excess (ee) values of 98\% for R-styrene oxide from their racemic mixtures upon desorption from 2-R. The enhanced selectivity and separation efficiency were attributed to an optimal guest-to-cavity fit and the presence of multiple interaction sites within the host framework. Remarkably, portal substituent modulation in 2-R led to a 16-fold enhancement in enantioselective separation efficiency compared to 1-R, primarily due to improved portal dimensions, tighter molecular packing, and increased hydrogen bonding interactions. These findings highlight the potential of neutral chiral coordination cages for various enantioselective applications.

}, issn = {0020-1669}, doi = {10.1021/acs.inorgchem.5c01469}, author = {Jose, Cavya and Sarkar, Abhradeep and Khopade, Kishor V. and Boomishankar, Ramamoorthy} } @article {49504, title = {Pt-based 3D electrocatalyst with process-friendly features for PEMFCs possessing fast activation and improved mass-transfer properties}, journal = {Advanced Sustainable Systems}, volume = {9}, year = {2025}, month = {APR}, type = {Article}, abstract = {

Polymer-electrolyte-membrane fuel cells (PEMFCs) face the challenges like slow oxygen reduction reaction (ORR) kinetics and limited mass transport at high current densities, which affects their performance. The efficient water removal from the cathode is essential to improve oxygen diffusion. Addressing this, a catalyst is presented with platinum (Pt) nanoparticles distributed within a 3D carbon network (Pt/3DPDC) derived from the polydopamine-coated melamine foam. This unique architecture enhances Pt utilization and water management due to its high porosity and ample free spaces, providing a process-friendly feature for the electrode under PEMFC conditions. The pores and accessible texture of the 3D polydopamine derived carbon (3DPDC) framework facilitate ionomer uptake during the electrode fabrication, extending the active triple-phase boundary and improving the membrane electrode assembly (MEA) performance. The high porosity of Pt/3DPDC is mitigated by adding a small amount of commercial fuel cell catalayst (Pt/C), which maintains the effective catalyst number density per unit area by utilizing the excess porosity of the 3DPDC framework. This controlled interplay of the unique catalyst structure and spatially confined distribution of Pt/C within the Pt/3DPDC framework offers fast activation, reduced electrode flooding, and improved current densities across the operating potential window. This carefully engineered catalyst, designed through bottom-up strategies, is a promising electrocatalyst for practical PEMFC applications.

}, keywords = {Oxygen Evolution Reaction, oxygen reduction reaction, rechargeable flexible zinc-air battery}, issn = {2366-7486}, doi = {10.1002/adsu.202400904}, author = {Pandikassala, Ajmal and Nadumattuvayil, Varsha and Singh, Mayank U. and Jadhav, Swapnil D. and Yoyakki, Athira and Kurungot, Sreekumar} } @article {49862, title = {A Pt-Based Carbon-Free Cathode with Embedded Oxygen Nanoreservoirs: A Promising Approach for Oxygen Buffering to Aid Oxygen Reduction Reactions of PEMFCs}, journal = {ACS Catalysis}, volume = {15}, year = {2025}, month = {NOV}, pages = {19677-19694}, type = {Article}, abstract = {

For practical applications of proton exchange membrane fuel cells (PEMFCs), the system needs to be operated by employing air in the cathode instead of pure oxygen (O2). This makes it necessary to develop innovative electrode engineering solutions so that the system can function well even in oxygen-lean environments under the realistic working conditions of PEMFCs. Taking this into account, we introduce Pt/SiO2@CeO2-30\%, an engineered electrocatalyst with potentially generated oxygen vacancies (Ov), which can immensely contribute toward the enhancement in the O2 availability in oxygen-lean conditions like the air feed conditions, allowing an effective control of the overpotential related to the oxygen reduction reactions (ORRs) at the electrode level. The meticulously crafted Pt-CeO2 interface serves as one of the appreciable structural attributes of the present catalyst, facilitating oxygen spillover toward the Pt environment, aided by the creation of the immense Ov along the nano CeO2 phase of the catalyst. In addition to the benefit of addressing the oxygen-lean conditions and overcoming the limitations of the state-of-the-art catalysts, usage of a noncarbonaceous support like SiO2 to house the Pt and CeO2 nanoparticles has been anticipated to lessen the corrosion problems, a major drawback associated with the carbon-based ORR catalysts. Apart from this, a significant contribution of SiO2 to the self-humidification of the ionomer interface plays a crucial role in enabling the MEA to work under low relative humidity conditions, which can be attributed to an additional benefit of the current composition of the catalyst. The catalyst demonstrated a promising ORR performance with a substantial improvement in H2-air feed circumstances and better corrosion resistance when tested with a membrane electrode assembly (MEA) in a single-cell configuration, illustrating the practical feasibility in a realistic system-level validation.

}, keywords = {carbon corrosion, carbon-free electrocatalyst, oxygen buffering, oxygen reductionreaction, oxygen spill over, protonexchange membrane fuel cell}, issn = {2155-5435}, doi = {10.1021/acscatal.5c06455}, author = {Yoyakki, Athira and Kumar, Sachin and Pandikassala, Ajmal and Jadhav, Swapnil D. and Vinod, C. P. and Kurungot, Sreekumar} } @article {49718, title = {Rapid and sensitive rGO/AuNP-based electrochemical nano-biosensor for detection of E. coli and S. aureus in less than an hour}, journal = {AIP Advances}, volume = {15}, year = {2025}, month = {MAY}, pages = {055236}, type = {Article}, abstract = {

Improved diagnostic screening has become critical for bacterial infection identification and prevention. The sensitivity, reliability, repeatability, detection time, and specificity of a test or tool are critical for its translation to application. Electrochemical detection methods are quick and can provide point-of-care diagnosis. We report on reduced graphene oxide/gold (rGO-AuNP) nanocomposites that enabled highly sensitive and quick detection of harmful bacteria, such as E. coli and S. aureus. The technique involved employing rGO as a nano-carrier and Au as a bioactive surface to bind particular antibodies for electrochemical immunoassays. The current approach is culture-independent and does not require sample processing for bacterial detection. It is a pathogen detection technology that uses rGO-AuNP as an electrochemical transducer platform and target particular antibodies for E. coli and S. aureus to obtain improved sensitivity and speed. Differential pulse voltammetry was used to detect infections. These findings demonstrated that rGO-AuNp nanocomposites have up to three times the sensitivity of rGO and AuNP alone. Importantly, the antibody linked bioactive screen-printed electrodes remained stable for more than a month, allowing just electrochemical measurements to be performed at the time of detection. This allowed for pathogen detection in less than an hour. The limit of detection for both E. coli and S. aureus was 2 CFU/ml, making it extremely sensitive. An electrochemical sensor was showing a linear response with R2 0.98. According to the physicochemical evaluation of nanocomposites, the improved sensitivity and stability were caused by a lowered bandgap in composites and uniform distribution of AuNPs on a rGO nano-template. (c) 2025 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution-NonCommercial-NoDerivs 4.0 International (CC BY-NC-ND) license (https://creativecommons.org/licenses/by-nc-nd/4.0/).

}, doi = {10.1063/5.0243093}, author = {Sirdeshmukh, Vedashree V. and Joglekar, Shreeram S. and Joshi, Preeti Nigam and Kale, Anup A.} } @article {49791, title = {Rational design of hydrophobic Cu/CuO electrodes for electrochemical oxygenation of tetralin: a strategic approach}, journal = {ChemSusChem}, volume = {18}, year = {2025}, month = {AUG }, type = {Article}, abstract = {

Electro-organic synthesis presents a sustainable and practical alternative to traditional organic synthesis methods, which typically utilize harsh reagents and require energy-intensive conditions. Nevertheless, the challenge of achieving satisfactory conversion and selectivity rates in electrocatalytic oxidation using a non-platinum group metal (PGM) catalyst pair still needs to be addressed. This study demonstrates the application of a non-PGM-based catalyst pair for the electrocatalytic oxidation of tetralin to 1-tetralone, a highly demanded raw material in the pharma industry. Copper electrodeposited on teflonated carbon paper combined with copper foam as the electrocatalyst pair has demonstrated impressive conversion and selectivity ratios to electro-synthesize 1-tetralone at room temperature and atmospheric pressure. The optimal choice of a non-PGM catalyst, ideal mass loading, and a unique electrode configuration resulted in an ultimate conversion of about 99\% of tetralin and 1-tetralone selectivity -93.7\%, yield -92.6\%. The reaction pathway associated with the electrochemical phenomena is supported by first principles-based density functional theory calculations and X-ray photoelectron spectroscopy of the electrocatalyst. This process has exceptional performance that can be adapted for a wide range of substrates and is straightforward, ambient, reagent-free, scalable, and therefore beneficial for industrial use. Therefore, initiatives have been taken in this direction.

}, keywords = {C-H activation, Copper, electrochemical oxidation, non-PGM electrocatalysts, tetralin, Tetralone}, issn = {1864-5631}, doi = {10.1002/cssc.202501184}, author = {Cherukuthota, Sri Vidya and Mathew, Elizabeth and Verma, Tushar Singh and Joshi, Krati and Selvaraj, Kaliaperumal} } @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 {49891, title = {Renewable and degradable polyoxalates derived from castor oil}, journal = {Macromolecular Chemistry and Physics}, volume = {226}, year = {2025}, month = {SEP}, type = {Article}, abstract = {

Renewable feedstocks pave the way to reduce the demand for petroleum-derived chemicals. Castor oil is one such plant-based raw material that can be used to synthesize chemicals and materials with diverse applications. Herein, we report the synthesis of a novel monomer, 18-methoxy-18-oxooctadec-9-en-7-yl methyl oxalate (3), from castor oil-derived ricinoleic acid. The identity of the monomer 3 has been unambiguously ascertained using 1-2D NMR spectroscopic analysis. Monomer 3 was then subjected to condensation polymerization with potentially bio-renewable long-chain aliphatic diols to yield degradable linear polyoxalates having molecular weights in the range of 8000-22,000 g/mol. The polymerization reactions were performed using pTSA and [Sn(Oct)2] as catalysts, and the polymerization conditions were optimized. The structure of the polymer was confirmed by 1-2D NMR spectroscopy, IR spectroscopy, and GPC analysis. The thermal characterizations of the polyoxalates were carried out by DSC and TGA analysis. The polyoxalates were found to degrade in acidic media. These renewable polyoxalates were further reacted with thiols by {\textquoteleft}{\textquoteleft}thiol-ene{\textquoteright}{\textquoteright} click reaction to produce a cross-linked rubbery polymer, which retained degradability.

}, keywords = {castor oil derivatives, hydrolytic degradations, polyoxalates}, issn = {1022-1352}, doi = {10.1002/macp.202500113}, author = {Menon, Abhijith Hari and Joseph, Seena and Shaikh, Maulali H. and Chikkali, Samir H.} } @article {49675, title = {Retrieval augmented generation for building datasets from scientific literature}, journal = {Journal of Physics-Materials}, volume = {8}, year = {2025}, month = {JUL}, pages = {035006}, type = {Article}, abstract = {

In this work, we show that employing retrieval augmented generation (RAG) with a large language model (LLM) enables us to extract accurate data from scientific literature and construct datasets. The rapid growth in publications necessitates the automation of extraction of structured data as it is crucial for training machine learning(ML) models. The pipeline developed is simple and can be adjusted accordingly with natural language as input. Quantization enables us to run LLMs on consumer hardware and remove the reliance on closed-source models. Both Llama3-8B and Gemma2-9B with RAG give structured output consistently and with high accuracy as compared to direct prompting. Using the newly developed protocol, we created a data set of metal hydrides for solid-state hydrogen storage from paper abstracts. The accuracy of the generated dataset was \>88\% in the cases tested. Further, we demonstrate that the generated dataset is ready-to-use for ML models by testing it with HYST to predict the H(2)wt\textbackslash\% at a given temperature. Thus, we demonstrate a pipeline to create datasets from scientific literature at minimal computational cost and high accuracy.

}, keywords = {dataset building, Hydrogen storage, LLM, materials, RAG}, doi = {10.1088/2515-7639/ade1fa}, author = {Maharana, Piyush Ranjan and Verma, Ashwini and Joshi, Kavita} } @article {49536, title = {Sequential nitro-michael addition and reductive cyclization cascade reaction for diastereoselective synthesis of multifunctionalized 3,3'-pyrrolidinyl-spirooxindoles}, journal = {European Journal of Organic Chemistry}, volume = {28}, year = {2025}, month = {FEB}, type = {Article}, abstract = {

In this investigation, we elucidated, one-pot two stage efficient synthesis of multifuctionalized spiro[oxindole -3,3 {\textquoteleft}-pyrrolidine]. The methodology proceeds via organocatalyzed nitro-Michael addition reaction between indolylidenecyanoesters and nitroalkanes to formed nitro-Michael adduct which transformed into multifunctionalized 3,3 {\textquoteleft}-pyrrolidinyl-spirooxindoles by metal catalyzed reductive cyclization cascade. DFT investigations were conducted to elucidate the mechanism underlying the preferential reduction of the nitro group, with subsequent attack on the nitrile and ester groups remain inert throughout the reaction process. The approach is operationally simple, easily scalable, exhibits compatibility with readily accessible starting material and catalysts, thereby emphasizing cost-effectiveness.

}, keywords = {3 {\textquoteleft}-pyrrolidinyl spirooxindoles, DFT study for regioselective cyclization, Diastereoselective 3, organocatalysis, Pd/C catalysed partial reductive spirocyclization}, issn = {1434-193X}, doi = {10.1002/ejoc.202401121}, author = {Nichinde, Chandrakant B. and Bhati, Meema and Girase, Amardipsing S. and Patil, Baliram R. and Chaudhari, Suryakant S. and Gamidi, Rama Krishna and Joshi, Kavita and Kinage, Anil K.} } @article {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 {49956, title = {Stimulant immobilized bioactive film of functionalized egg albumin blend for wound healing}, journal = {International Journal of Pharmaceutics}, volume = {682}, year = {2025}, month = {SEP }, pages = {125896}, type = {Article}, abstract = {

Wound healing materials with advanced properties that facilitates higher collagen deposition, improved angiogenesis and quick tissue regeneration are crucial for clinical wound management. To meet the requirement, for the first time, our studies focus on engineering bio-originated natural materials, which are tested in combination with the active agents, ascorbic acid (AA), a stimulant and metronidazole (Mtz), an anti-microbial drug. Accordingly, a dual drug (AA, and Mtz) loaded film of functionalized egg albumin (FEA)-poly(vinyl alcohol) (PVA) was fabricated following the solution casting method. The film was characterized for its morphology and physicochemical properties using various analytical tools. The potential of the film as a wound healing material was evaluated, by in vitro drug release, degradation, cell viability, antimicrobial studies, in vivo wound healing, and histopathological analyses. In vitro degradation studies confirmed their degradability in enzymatic and soil burial conditions. Cytotoxicity studies demonstrated their non-toxicity, and the antimicrobial investigations showcased that the material was antibacterial. On the 14th day, the wound closure percentage of the wound induced control group, GI (without treatment) was notably higher at 95 \% compared to the test formulation group, GV [FEA-PVA (30/70 w/w) loaded with Mtz and AA (10 \% w/w of the total polymer weight), respectively], which exhibited a wound closure of 83 \%. Furthermore, the histopathological examinations revealed that the inner wound healing in GV was comparatively better than in GI in terms of angiogenesis, epidermal remodeling, higher collagen deposition, coherency, and tissue regeneration. Consequently, the formulated film can be deemed a suitable wound dressing material.

}, keywords = {collagen, Dual drug release, Functionalized egg albumin, Polymer blend films, Stimulant, wound Healing}, issn = {0378-5173}, doi = {10.1016/j.ijpharm.2025.125896}, author = {Gautam, Tripurari Rao and Patel, Pratikshkumar R. and Singam, Amarnath R. and Jagtap, Ashish S. and Desai, Prasad and Gundloori, Rathna V. N. and Pawar, Anil and Dastager, Syed G.} } @article {49385, title = {Structure and properties of the cellulose fibres spun from imidazolium-based carboxylate functionalized zwitterionic liquid}, journal = {CARBOHYDRATE POLYMERS}, volume = {348}, year = {2025}, month = {JAN }, keywords = {cellulose, Direct dissolution, Zwitterionic liquid}, issn = {0144-8617}, doi = {10.1016/j.carbpol.2024.122804}, author = {Jadhav, Sachin and Singh, Dhirendra and Gupta, Deepika and Ganvir, Vivek and Singh, Madan Kumar and Shanmuganathan, Kadhiravan} } @article {49928, title = {Supramolecular self-assembly of glochidonol: a renewable triterpenoid from glochidion tomentosum}, journal = {Chemistryselect}, volume = {10}, year = {2025}, month = {AUG }, pages = {e01207}, type = {Article}, abstract = {

Glochidonol a lupane pentacyclic (6-6-6-6-5) triterpenoid isolated from Glochidion tomentosum, exhibited exceptional gelation ability compared to the screened lupane- and oleanane-type triterpenoids. This study represents the first report on the self-assembly behavior of glochidonol in various liquids. The molecule self-assembled to form gels in all tested aromatic solvents, whereas no gelation was observed in water or phosphate buffer. The structural and physical properties of the self-assembled glochidonol were characterized using optical microscopy, scanning electron microscopy, atomic force microscopy, and Fourier-transform infrared spectroscopy. Additionally, the glochidonol-based self-assembled fibrillar network was utilized for the encapsulation of fluorescein isothiocyanate as a model drug, highlighting its potential for biomedical applications. A glochidonol-based gel loaded with doxorubicin exhibited sustained, diffusion-mediated drug release into PBS, accompanied by partial gel degradation. Fluorescence analysis confirmed release suggesting drug-gel interactions and diffusion. The glochidonol-based gel demonstrated sustained, diffusion-controlled doxorubicin release with partial degradation under physiological conditions.

}, keywords = {Glochidion tomentosum, Glochidonol, Organo gelator, Self-assembly, Triterpenoids}, issn = {2365-6549}, doi = {10.1002/slct.202501207}, author = {Patil, Harshal S. and Jagadeesh, K. S. and Dinore, Jaysingh and Sharanappa, P. and Baviskar, Ashwini S. and Thulasiram, Hirekodathakallu V.} } @article {49624, title = {Synthesis and structural studies of ammonium exchanged synthetic analogue of disordered aluminosilicate natrolite}, journal = {Microporous and Mesoporous Materials}, volume = {384}, year = {2025}, month = {FEB}, pages = {113441}, type = {Article}, abstract = {

The current article reports preparation and structural analysis of NH4+ exchanged form of synthetic natrolite zeolite (NH4-natrolite) with disordered structure wherein Si and Al occupies all the tetrahedral (T) sites in the zeolite framework. Structural data is used to gain insight into the structural parameters those influence thermal stability of its proposed H-form. NH4-natrolite is prepared by ion-exchange method from K-natrolite (which was also obtained by ion-exchange with Na-natrolite). Na-natrolite, K-natrolite and NH4-natrolite prepared in this study were tested for their structural, morphological and thermal analysis. Synchrotron X-ray diffraction data was utilized to estimate the crystal structures of hydrated forms of Na-natrolite, K-natrolite and NH4-exchanged natrolites. Thermal analysis of NH4-natrolite revealed that the dehydration is followed by removal of ammonia during calcination. The role of the size (radius) and nature (either divalent or monovalent) of the exchangeable cations present in the channels, the framework chemical content and extent of {\textquoteleft}T{\textquoteright} atom ordering have been collectively discussed and correlated with the structural behaviour of calcined NH4-natrolite to explain its thermal stability in better way.

}, keywords = {Crystal structure of natrolite, Disordered framework, zeolite}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2024.113441}, author = {Gavhane, Manjusha J. and Jha, R. K. and Nam, Kyung-Wan and Bhange, Deu S.} } @article {49955, title = {Synthesis, characterization, computational and biological evaluation of pyrazole hydrazones as promising anti-inflammatory agents}, journal = {Scientific Reports}, volume = {15}, year = {2025}, month = {NOV }, pages = {42206}, type = {Article}, abstract = {

In this study, two pyrazole-based hydrazone derivatives, 5-methyl-1-phenyl-4-(1-(2-phenylhydrazineylidene)ethyl)-1H-pyrazole (PMPH) and 1-(4-fluorophenyl)-5-methyl-4-(1-(2-phenylhydrazineylidene)ethyl)-1H-pyr azole (4F-PMPH), were synthesized and the structures of the compounds were elucidated through FT-IR, 1H and 13C NMR, and mass spectral methods. The anti-inflammatory potential was evaluated using the bovine serum albumin denaturation assay, with PMPH and 4F-PMPH showing maximum inhibition at 0.5 mg/mL, respectively, suggesting that fluorine substitution enhances bioactivity. Molecular docking studies against COX-II (PDB: 3LN1) revealed favorable binding energies of - 7.21 kcal/mol (PMPH) and - 8.03 kcal/mol (4F-PMPH). Molecular dynamics simulation of the best docked compound 4F-PMPH with COX-II (PDB: 3LN1) revealed a stable complex over a 100 ns simulation, supporting its potential as a promising inhibitor. In silico ADME analyses revealed pharmacokinetic behavior and drug-likeness. A comparative Density functional theory-based spectroscopic and electronic investigation was conducted using the B3LYP/6-31G(d,p) level of theory. Vibrational frequency analysis showed strong correlation between theoretical and experimental IR spectra. Frontier molecular orbital analysis, molecular electrostatic surface potential maps, Mulliken charges, electronic and global reactivity parameters were also studied. Besides, reduced density gradient, non-covalent interaction, electron localization function, and localized orbital locator maps were analyzed for both the compounds.

}, keywords = {Anti-inflammatory, Density functional theory, Drug design, Hydrazone, Pyrazole}, issn = {2045-2322}, doi = {10.1038/s41598-025-26088-9}, author = {Deshmukh, Hemant S. and Adole, Vishnu A. and Frit, A. Alfind Paul and Mali, Suraj N. and Yasin, Haya Khader Ahmad and Patil, Bhausaheb N. and Janani, S. and Jagdale, Bapu S.} } @article {49836, title = {Synthesis of benzannulated [5,6] oxa-fused/spiro-lactones via [4+2] cycloaddition with quinone methides: new insights into deconjugated butenolide reactivity}, journal = {Journal of Organic Chemistry}, volume = {90}, year = {2025}, month = {OCT}, pages = {15185-15190}, type = {Article}, abstract = {

In this study, we unfold a Lewis-acid-catalyzed inverse electron demand hetero Diels-Alder (IEDHDA) [4 + 2] reaction, leveraging the unique beta-selective nucleophilicity of deconjugate lactone in conjunction with quinone methides for the synthesis of polycyclic fused and spiro acetals in a one-pot process. This cascade annulation reaction efficiently generates 3/4 chiral centers with high diastereoselectivity. The developed methodology proceeds under mild reaction conditions and exhibits a broad substrate scope for fused and spiro acetal formation.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.5c01468}, author = {Kumar, Manish and Kale, Someshwar B. and Jawahar, Subramani and Barkade, Apurva D. and Das, Utpal} } @article {49225, title = {Tailoring the electrochemical properties of ZnS electrodes via cobalt doping for improved supercapacitor application}, journal = {JOURNAL OF ELECTRONIC MATERIALS}, volume = {54}, year = {2025}, month = {JAN}, pages = {451-461}, type = {Journal Article}, keywords = {capacitance, Co-doped, supercapacitor, ZnS}, issn = {0361-5235}, doi = {10.1007/s11664-024-11535-6}, author = {Tom, Emmanuel and Velluva, Abhijai and Joseph, Anit and Thomas, Tiju and Sha, Mizaj Shabil and Jithin, V, P. and Thomas, Deepu and Sadasivuni, Kishor Kumar and Kurian, Joji} } @article {49268, title = {Thrombin immobilized hemocompatible radiopaque polyurethane microspheres for topical blood coagulation}, journal = {JOURNAL OF BIOMEDICAL MATERIALS RESEARCH PART A}, volume = {113}, year = {2025}, month = {JAN}, type = {Journal Article}, keywords = {ALGINATE MICROSPHERES, ENDOVASCULAR TREATMENT, PRECISE LOCALIZATION}, issn = {1549-3296}, doi = {10.1002/jbm.a.37828}, author = {Naik, Sonali S. and Torris, Arun and Ghuge, Gorakh Hiraman and Karthika, V. K. and Joseph, Roy and Nair, Kiran Sukumaran} } @article {49968, title = {Total biocatalytic synthesis of capsaicinoids using ferulic acid: a versatile two-step strategy for natural product diversification}, journal = {Angewandte Chemie-International Edition}, volume = {64}, year = {2025}, month = {DEC }, type = {Article}, abstract = {

The wide-ranging application of capsaicinoids, the active compounds in chili peppers, has driven increasing interest in the development of sustainable production strategies. However, capsaicinoid synthesis remains a challenge. The objective of this pioneering study is to report the total biocatalytic synthesis of structurally diverse capsaicinoids from bio-based ferulic acids. An X-ray crystallographic study elucidated the structural basis for the exceptional potential of a novel transaminase from Phaeobacter porticola (PPTA) to transform the highest ever reported concentration of vanillin (100-200 mM) to vanillylamine, with \>99\% conversion and modest conversion ranging from 48\% to 79\% for 300 to 500 mM substrate. Using PPTA in tandem with phenolic acid decarboxylase (PAD) and aromatic dioxygenase (ADO) further enabled the direct synthesis of vanillylamine from ferulic acid with \>99\% conversion. Furthermore, the integration of a multi-enzymatic cascade with carboxylic acid reductases (CARs) successfully synthesized structurally diverse capsaicinoids via amide bond formation between vanillylamine and free fatty acids, with excellent conversions ranging from 72\% to \>88\%. A 50-mM enzymatic reaction afforded 95\% and 80\% conversion of vanillylamine and capsaicin, respectively.

}, keywords = {Capsaicinoids, Carboxylic acid reductase, Transaminase, Vanillylamine}, issn = {1433-7851}, doi = {10.1002/anie.202514504}, author = {Khobragade, Taresh P. and Giri, Pritam and Patil, Mahesh D. and Joo, Sangwoo and Cho, Sunga and Kim, Yechan and Ghosh, Rohan and Jeong, Sanghun and Maeng, Minyeong and Song, Min-Ho and Park, Jeong-Min and Lee, Eun Ho and Keum, Young-Soo and Kang, Taek Jin and Heo, Yong-Seok and Yun, Hyungdon} } @article {49585, title = {Transit of NEAT1 and MTP11 to the plasma membrane and co-localization to vesicles support a role for exocytosis-mediated export in metal homeostasis}, journal = {Physiologia Plantarum}, volume = {177}, year = {2025}, month = {JAN}, pages = {e70067}, type = {Article}, abstract = {

Understanding the role and mode of action of nutrient transporters requires information about their dynamic associations with plant membranes. Historically, apoplastic nutrient export has been associated with proteins localized at the plasma membrane (PM), while the role of endomembrane localization has been less explored. However, recent work on the PHOSPHATE 1 (PHO1) inorganic phosphate (Pi) exporter demonstrated that, although primarily localized at the Golgi and trans-Golgi network (TGN) vesicles, PHO1 does associate with the PM when clathrin-mediated endocytosis (CME) was inhibited, supporting a mechanism for Pi homeostasis involving exocytosis. We explored whether CME inhibition can identify other transporters that, although primarily localized at Golgi/TGN at steady-state level, also transit via the PM and are potentially involved in export via exocytosis. We found that, similar to PHO1, Golgi-localized transporters NA EFFLUX TRANSPORTER1 (NAET1) and METAL TOLERANCE PROTEIN11 (MTP11) relocate to the PM when CME is inhibited, both transiently in Nicotiana benthamiana and conditionally in Arabidopsis thaliana. Such PM re-localization of transporters upon CME inhibition is specific, since it does not occur with several other Golgi-associated transporters, including MTP5 and BIVALENT CATION TRANSPORTER 3 (BICAT3), as well as resident Golgi/TGN membrane proteins, such as alpha-1,2-MANNOSIDASE I (Man1) and VESICLE TRANSPORT V-SNARE 12 (VTI12). Additionally, we observed that NAET1, MTP11 and PHO1 all partially co-localize to vesicles. Overall, our study supports a role for synaptic-like vesicle-mediated exocytosis for both NEAT1 and MTP11 in nutrient transport in plants and highlights the importance of assessing the transient localization of Golgi/TGN proteins to the PM.

}, issn = {0031-9317}, doi = {10.1111/ppl.70067}, author = {Vetal, Pallavi V. and Jaskolowski, Aime and Poirier, Yves} } @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 {49974, title = {Understanding the antimicrobial and antioxidant potential of bioinspired platinum nanoparticles synthesized using ocimum tenuiflorum}, journal = { BioNanoScience}, volume = {15}, year = {2025}, month = {JAN}, pages = {1789}, type = {Article}, abstract = {

The emergence of infectious diseases has highlighted the need for novel and effective antimicrobial agents. Platinum nanoparticles (PtNPs) could act as a potent antimicrobial agent due to their unique physicochemical properties. However, the chemical or physical synthesis methods of PtNPs have drawbacks, like irregular shape and use of toxic chemicals. These drawbacks can be effectively overcome by using the biological method synthesis. Thus, this study presents the green synthesis of platinum nanoparticles (PtNPs) using\ Ocimum tenuiflorum\ leaf extract as a bio-reductant. The study also comprehensively encompasses the role of multiple process parameters for the green synthesis of PtNPs. The high-resolution transmission electron microscopy (HR-TEM) revealed spherical PtNPs with an average size of 2.36 {\textpm} 0.5 nm that exhibits excellent stability (zeta potential, -45.67 {\textpm} 2.57 mV). Phytochemical analysis of aqueous\ O. tenuiflorum\ leaf extract was performed to assess the bioactive compounds like saponins, phenols, and tannins, reducing sugars and flavonoids. The PtNPs demonstrated significant antioxidant activity of 86.9 {\textpm} 0.12\% at 10 {\textmu}g/mL. Further, the biosynthesized PtNPs showed efficient antimicrobial activity with a minimum inhibitory concentration (MIC) of 6.25 {\textmu}g/mL against\ Escherichia coli\ and 1.5 {\textmu}g/mL against\ Staphylococcus aureus. These findings highlight the therapeutic potential of eco-friendly PtNPs for pharmaceutical and biotechnological applications.

}, author = {Varma, Sanjana and Bamb, Aagam Lalit and Tambe, Sayali A. and Burade, Dimpal K. and Jagdale, Swati and Pande, Bharat and Vamkudoth, Koteswara Rao and Chaudhari, Bhushan P.} } @article {49880, title = {Understanding the structural characteristics of modified ceramic hollow fiber oxygen transport membranes through in silico tomography simulation study}, journal = {ACS Applied Materials \& Interfaces}, volume = {17}, year = {2025}, month = {JUL }, pages = {43820-43829}, type = {Article}, abstract = {

Design and development of integrated membrane reactor systems are gaining attention as a sustainable solution capable of performing multiple functions in a single reactor. Membrane reactors made of mixed ionic-electronic conduction materials dosing pure O to the reactions can be exploited for various catalytic processes. In this case, micro- and macrostructures of the membrane surface play a significant role in the permeation performance of membranes, and understanding these parameters prior to scaling up to modules is imperative. Here, 3D X-ray tomography imaging, a versatile nondestructive instrumental technique, is used in understanding the structural behavior of the membrane walls at different structural alignments, leading to anticipation of fouling areas upon assembling membrane reactors. La0.6Sr0.4Co0.2Fe0.8O3-delta hollow fiber membranes are fabricated by the phase inversion method and further modified by the optimized acid etching technique. In silico simulations on different morphologies before and after surface modifications are carried out under varying flow rates at nonambient temperatures to mimic real experimental conditions. Critical parameters such as gas velocity, pressure exerted on cavity walls, and strain, dictating structural integrity of the fibers under experimental conditions, were evaluated. As a result of the assessment, the surface-modified structural morphology with finger-like cavities initiating from the inner wall of the membrane was found to be robust. Increase in the pore size, nonuniform pore size distribution, and irregular and interdigitated cavities formed in outer fingered membranes after multiple surface treatments led to an similar to 5 fold increase in the average pressure exerted at the cavity walls when compared to inner fingered membranes. Strain profile generated for inner fingered membranes shows homogeneous distribution of strain for the applied stress throughout the 3D geometry of the membrane. This detailed structural analysis of the membrane will help in building a more robust and efficient system for scale-up applications.

}, keywords = {3D X-ray tomography, in silico simulation, oxygen transport membranes, perovskite, phase inversionmethod}, issn = {1944-8244}, doi = {10.1021/acsami.5c08736}, author = {Jogdand, Shunottara M. and Sharma, Jyoti and Khilari, Rushikesh S. and Mahajan, Digvijay P. and Patil, Prashant and Pol, Harshavardhan V. and Torris, Arun and Agrawal, Ravi and Kharul, Ulhas K. and Devi, R. Nandini} } @article {49984, title = {Underutilization of India{\textquoteright}s trained science and technology workforce: Impact on gender disparity}, journal = {Proceedings of the Indian National Science Academy}, volume = {91}, year = {2025}, month = {NOV}, pages = {1526{\textendash}1537}, type = {Article}, abstract = {

The growing STEM workforce of India faces remarkable underutilization, mostly among women and early-career researchers. A survey was conducted among 106 research professionals showed that 46\% of the respondents experienced career breaks while only 20{\textendash}22\% perceived sufficient employment opportunities across educational levels. Gender disparity has become a remarkable, associated factor, influenced by and perpetuating the underutilization of the workforce, shaped by career interruptions associated to marriage, childbirth, and societal norms, which disproportionately affect 65\% of women respondents. While over 50\% respondents showed their interest in developing entrepreneurship, awareness of government schemes such as Startup India and Skill India remains inadequate. The findings from the study supports the short-term actions like childcare support and flexible re-entry policies, medium-term incorporation of entrepreneurship programs with scientific careers, and long-term development of R\&D through increased investment and mentorship programs. Addressing systemic and gender-based obstacles is vital for optimizing scientific workforce and promoting development driven by innovation in India. Additionally, the promotion of scientific entrepreneurship and start-up schemes is essential for boosting research sector growth. Addressing the systemic barriers and supporting gender equity in science and academia can help India fully leverage its qualified STEM talent.

}, doi = {https://doi.org/10.1007/s43538-025-00612-x}, author = {Jugran, Arun K. and Sardana, Neha and Fatima, N. Nishad and Maheshwary, Sugandha and Sengupta, Durba and Chakravorty, Nishant} } @article {49565, title = {Unravelling the Cu-Co nanoparticle synergy over Ceria-Zirconia support toward efficient reverse water gas shift (RWGS) conversion under H2 lean conditions}, journal = {Chemical Engineering Journal}, volume = {508}, year = {2025}, month = {MAR}, pages = {160705}, type = {Article}, abstract = {

CO2 emissions leading to global warming and environmental and socio-economic issues have propelled the research community to develop technologies capable of capturing and converting CO2 into valuable products. Controlling the selectivity toward platform molecules like CO, methanol, or methane is a fundamental challenge in CO2 hydrogenation. Supported cobalt nanoparticles are known for hydrocarbon production through FischerTropsch (FT) reaction, and Cu-based catalysts are known for reverse water gas shift (RWGS) reaction. Here, we show that d-band centre can be carefully modulated by making bimetallic combinations of Cu and Co for a highly active RWGS catalyst. An oxygen vacancy-rich nanostructured ceria-zirconia (CZ) support with Cu nanoparticles (2 wt\%) modified with as low as 0.05 wt\% Co shows excellent conversion for CO2 hydrogenation and selectivity for CO below 500 degrees C. The optimized catalyst shows CO2 conversion even under hydrogen lean conditions (H2/ CO2 ratio 0.5:1), with a breakthrough rate of 206023 mmol/gmetal/h for CO at 600 degrees C, having H2 utilization of 80\% for the RWGS process.

}, keywords = {Bimetallic catalyst, Ceria-zirconia, CO 2 hydrogenation, Cobalt catalyst, Copper catalyst, Reverse water gas shift (RWGS), synergistic effect}, issn = {1385-8947}, doi = {10.1016/j.cej.2025.160705}, author = {Jagtap, Anuradha Vijay and Bamnia, Mahesh Kumar and Maibam, Ashakiran and Bajpai, Jyotsna Paliwal and Gupta, Sharad and Thomas, Sharon K. and Dabke, Niteen B. and Vinod, C. P.} } @article {49844, title = {Utilizing nature{\textquoteright}s endowment: artificial leaf concept for methane activation to C-C coupled ethanol or ethylene}, journal = {Sustainable Energy \& Fuels}, volume = {9}, year = {2025}, month = {DEC}, pages = {6798-6810}, type = {Article}, abstract = {

Methane activation (MA) to platform chemicals under ambient conditions still remains an open challenge to be fully realised. The present work shows the fabrication of CeVO4 quantum dots (CV-QDs) by a bottom-up approach; they are assembled from Ce3+ and metavanadate ions, and structurally and electronically integrated into the micro-/meso-pores of TiO2 (CV-QD-TiO2 (CVT)), demonstrating the conversion of MA to ethanol/ethylene by visible light-driven photocatalysis. CV-QDs in confined pores modify the quantum confinement effects and are characterized by physicochemical methods. The current synthetic strategy is potentially scalable and results in sub-quadrillion heterojunctions in a 1 mg CVT photoanode spread over 1 cm2. MA with CVT under one-sun conditions demonstrates similar to 100\% selectivity to ethanol, yielding 4.36 mu mol h-1 cm-2, with a solar-to-fuel efficiency (STFE) of 0.56. Further, by employing a co-catalyst, significant STFE (5.08) and yield (39.5 mu mol h-1 cm-2) are achieved selectively towards ethylene. A deliberate addition of methanol increases the rate of ethanol production by 17.2 times, indicating that the methyl-methoxy interaction is the origin of C-C coupling. Weight is normalized to a gram of CV-QDs in a large area CVT photoanode to yield 109 mmol h-1 gCV-QD-1 of ethanol and 988 mmol h-1 gCV-QD-1 of ethylene. Enhanced activity and selectivity towards the C2-product is attributed to band-edge modulation and trillions of heterojunctions, which in turn facilitate charge separation and charge transfer for effective charge utilisation at redox sites.

}, issn = {2398-4902}, doi = {10.1039/d5se01178g}, author = {Kanungo, Subhashree S. and Mishra, Abhaya Kumar and Avani, Mangaladasan J. and Bajpai, Himanshu and Salgaonkar, Kranti N. and Javaregowda, Bharathkumar H. and Gopinath, Chinnakonda S.} } @article {49556, title = {Vat-based 3D-bioprinted scaffolds from photocurable bacterial levan for osteogenesis and immunomodulation}, journal = {Biomacromolecules}, volume = {26}, year = {2025}, month = {JAN}, pages = {954-966}, type = {Article}, abstract = {

Emerging techniques of additive manufacturing, such as vat-based three-dimensional (3D) bioprinting, offer novel routes to prepare personalized scaffolds of complex geometries. However, there is a need to develop bioinks suitable for clinical translation. This study explored the potential of bacterial-sourced methacrylate levan (LeMA) as a bioink for the digital light processing (DLP) 3D bioprinting of bone tissue scaffolds. LeMA was successfully synthesized, characterized, and used to fabricate 3D-bioprinted scaffolds with excellent printability and physicochemical properties. In vitro studies demonstrated superior cytocompatibility of 15\% w/v LeMA gels compared to 20\% gels. 15\% LeMA gels supported osteogenic differentiation , as evidenced by alkaline phosphatase activity and mineral deposition by MC3T3 pre-osteoblasts. Importantly, the LeMA hydrogels positively modulated the macrophage phenotype, promoting the expression of the anti-inflammatory marker CD206. These findings suggest that 3D-printed LeMA scaffolds can create a favorable microenvironment for bone regeneration, highlighting their potential for tissue repair and regeneration applications.

}, issn = {1525-7797}, doi = {10.1021/acs.biomac.4c01264}, author = {Waidi, Yusuf Olatunji and Wagh, Vasudev S. and Mishra, Shivangi and Jhunjhunwala, Siddharth and Dastager, Syed G. and Chatterjee, Kaushik} } @article {49824, title = {Visible-light active π-extended unsymmetrical squaraine dyes for dye-sensitized solar cells: steric effects for controlling the aggregation of dyes}, journal = {ACS Applied Energy Materials}, volume = {8}, year = {2025}, month = {OCT}, pages = {15459-15470}, type = {Article}, abstract = {

The dye-anchored TiO2 photoanode plays a vital role in the light harvesting and charge separation processes in dye-sensitized solar cells. Aggregation of dyes (H- and J-type) on the TiO2 surface is a facile process due to the presence of a periodical dye anchoring sites on the exposed facet of titania, and such self-assembled dye structures help broadening the absorption profile. However, photocurrent generation from such aggregated structure is a challenging task in dye-sensitized solar cell devices. Hence, controlling the dye aggregation on the TiO2 surface is an important aspect. Controlling the aggregation of dyes by which (i) an enhanced photocurrent generation (J SC) and (ii) enhanced V OC can be achieved by including the steric factors to the dye design principles, the steric factor in the sensitizer may help passivate the TiO2 surface to avoid the charge recombination process between electrons present in TiO2 and the oxidized electrolyte. On the other hand, extension of pi-conjugation in a sensitizer helps enhance the light absorption in the visible region besides modulating the HOMO and LUMO energy levels. Hence, synergizing both pi-extensions along with features that control the dye aggregation has been considered in designing visible active squaraine dyes. A thiophene pi-spacer was inserted in between a visible-light active unsymmetrical squaraine unit and a cyanoacetic acid acceptor unit to provide the AJ1 and AJ2 dyes. Though both the dye molecules possess a similar pi-framework, the AJ2 dye was functionalized with both in-plane and out-of-plane alkyl groups to decrease the aggregation of dyes on the TiO2 surface compared to AJ1. The AJ1 and AJ2 dyes absorbed at 560 nm with shoulder peaks appeared at 528 nm, which can be assigned to vibronic progression (1082 cm-1), and additional characteristic peaks of thiophene appeared at 392 nm with the molar extinction coefficient of 1.16-1.19 x 105 M-1 cm-1 in CH3CN. The LUMO and HOMO energy levels are well aligned with the conduction band of TiO2 and the redox potential of iodolyte (I-/I3 -) electrolyte with sufficient overpotentials for charge injection and dye regeneration processes, respectively. The highest DSSC device efficiency of 7.37\% (J SC 14.44 mA/cm2, V OC 0.771 V, ff 67.1\%) was achieved for the AJ2 dye with iodolyte (I-/I3 -) electrolyte in the presence of 2 equiv of optically transparent coadsorbent chenodeoxycholic acid (CDCA), which showed a good IPCE response in between 400 and 700 nm. Further, cosensitization of visible-light active AJ1, AJ2, and SQA10 dyes with a complementary far-red active SQS4 dyes showed the device efficiencies of 5.53\% (AJ1:SQS4:CDCA), 7.14\% (AJ2:SQS4:CDCA), and 7.18\% (SQA10:SQS4:CDCA) with a good IPCE response in the 400-720 nm region.

}, keywords = {cosensitization, Dye aggregation, Dye-sensitized solar cells, pi-extended squaraine dye, visible-lightactivedyes}, issn = {2574-0962}, doi = {10.1021/acsaem.5c02553}, author = {Jadhav, Avinash P. and Siby, Jesna and Pandya, Rinu and Vanka, Kumar and Krishnamoorthy, Kothandam and Nithyanandhan, Jayaraj} } @article {50047, title = {Integrative transcriptomics and metabolomics reveal distinct metabolic reprogramming in luminal and triple-negative breast cancer cells}, journal = {Molecular Omics}, volume = {22}, year = {2026}, month = {JAN}, pages = {aaiaf003}, type = {Article}, abstract = {

Breast cancer subtypes exhibit significant molecular and metabolic heterogeneity, influencing their aggressiveness and therapeutic responses. Among them, triple-negative breast cancer (TNBC) is highly aggressive and often resistant to conventional therapies. To investigate the metabolic programming of this aggressiveness, we conducted an integrated transcriptomics and metabolomics analysis comparing the MCF-7 (luminal A, ER+/PR+) and MDA-MB-231 (TNBC) breast cancer cell lines. Transcriptome analysis of MCF-7 and MDA-MB-231 revealed the differential expression of genes involved in key metabolic pathways. Metabolomics data, further corroborated by transcriptomics, suggest pathway enrichment in beta-alanine, histidine, glutathione, nucleotide metabolism, and the tricarboxylic acid cycle. MDA-MB-231 cells displayed a metabolically aggressive phenotype with enhanced oxidative phosphorylation, redox adaptation, and nucleotide turnover. In contrast, MCF-7 cells showed a more regulated amino acid and redox metabolism profile. The integration of transcriptomic and metabolite profiles highlighted potential metabolic vulnerabilities in TNBC, offering insights into subtype-specific differences at the molecular level.

}, doi = {10.1093/momics/aaiaf003}, author = {Ranawade, Preeti and Sonwane, Babasaheb and Bose, Ganesh and Jadhav, Revati and Joshi, Rakesh and Mittal, Smriti} } @article {50034, title = {Mechanistic insights in the role of trehalose transporter in metabolic homeostasis in response to dietary trehalose}, journal = {G3-Genes Genomes Genetics}, volume = {16}, year = {2026}, month = {FEB}, pages = {jkaf303}, type = {Article}, abstract = {

Trehalose is the major sugar in insect hemolymph and plays a diverse role. Its level is regulated by the dynamics of biosynthesis and distribution by sugar transporters. The metabolic balance between trehalose synthesis and uptake remains poorly understood, despite its critical role in homeostasis. Here, we examined the role of the putative gut-specific sugar transporter, HaST46, in regulating trehalose levels in Helicoverpa armigera, a model Lepidopteran pest. Analysis of publicly available transcriptomics, proteomics data, and qRT-PCR study suggests that HaST46 showed localization in the posterior midgut and its expression alters in response to dietary contents. The liquid chromatography-mass spectrometry (LC-MS) analysis of HaST46 overexpressing Sf9 cells indicated that trehalose transport is preferred over glucose. HaST46 expression was found to be modulated tissue-specific manner in response to dietary trehalose availability. Furthermore, trehalose synthesis genes were found to be downregulated in the case of a 50 mM trehalose diet. This suggests that a potential increase in exogenous trehalose uptake may attenuate its endogenous synthesis. HaST46 overexpression and silencing lead to altered trehalose levels in the insect, while also having impact on trehalose metabolizing enzymes. Overall, our findings reveal the role of gut predominant sugar transporter, HaST46, in metabolic fine-tuning between exogenous trehalose uptake and endogenous synthesis.

}, keywords = {gut, Helicoverpa armigera, Metabolism, sugar uptake, transporters, trehalose}, issn = {2160-1836}, doi = {10.1093/g3journal/jkaf303}, author = {Chaudhari, Bhagyashri Y. and Nichit, Vikram J. and Barvkar, Vitthal T. and Joshi, Rakesh S.} } @article {50052, title = {Methoxy substituted furan chalcones: an insight into anti-inflammatory, antioxidant, antidiabetic, antibacterial, and molecular docking studies}, journal = {ChemistrySelect}, volume = {11}, year = {2026}, month = {MAR}, pages = {e05798}, type = {Article}, abstract = {

A series of methoxy-substituted furan-based chalcones (5a-m) were synthesized, characterized, and evaluated for in vitro anti-inflammatory, antioxidant, antidiabetic, and antibacterial activities. Among the series, compounds 5l, 5j, 5h, 5a, 5g, 5f, 5c, 5k, and 5e showed remarkable anti-inflammatory activity when compared to diclofenac sodium. The compounds 5k, 5e, 5m, 5h, and 5l showed outstanding activity in the DPPH free radical scavenging experiment, along with remarkable ferric ion reducing power activity in comparison to standard ascorbic acid. Compounds 5l, 5m, and 5g demonstrated significant alpha amylase inhibitory activity, comparable to that of the standard drug Acarbose, suggesting their potential as effective antidiabetic agents along with a good antibacterial profile against S. aureus and E. coli. The molecular docking studies revealed that compounds 5f and 5c showed the best docking profiles with BSA, while 5l and 5m demonstrated superior binding characteristics with amylase, highlighting their potential as promising bioactive candidates.

}, keywords = {Anti-inflammatory, Antibacterial, antidiabetic, Antioxidant, methoxy substituted furan chalcones, Molecular docking}, issn = {2365-6549}, doi = {10.1002/slct.202505798}, author = {Ghorpade, Sujay A. and Kulkarni, Arati S. and Dandge, Padma B. and Chaugule, Hanmant N. and Ingle, Snehal S. and Bavi, Rohit S. and Bhosale, Raghunath B. and Peerzade, Nargisbano A. and Zaki, Magdi E. A. and Masand, Vijay H. and Patil, Nita R. and Jadhav, Shravan Y.} } @article {50043, title = {Novel prodrug-inspired eugenol derivatives with enhanced bioavailability, anti-diabetic and anti-glycation efficacies}, journal = {Journal of Molecular Structure}, volume = {1357}, year = {2026}, month = {APR}, pages = {145175}, type = {Article}, abstract = {

In this study, we present the design, synthesis, and evaluation of novel eugenol analogs aimed to overcome its limited bioavailability due to insolubility in aqueous media. Thus, we re-engineered eugenol using prodruginspired structural modifications to improve pharmacokinetic properties. First, we structurally modified eugenol and synthesized its natural amino acid conjugates as esters and carbamates. These were prepared in NBoc protected, free amine, and HCl salt forms. These modifications are expected to improve the polarity and solubility of eugenol congeners in biological systems. They can also release the parent eugenol through enzymatic hydrolysis, enhancing its therapeutic potential. Next, we comprehensively screened for these derivatives through in silico studies followed by in vitro and in vivo assays. These include DPPH radical scavenging (IC50 range: 37.7 to 103.7 mu M), inhibition of (i) alpha-amylase (IC50 23.1 to 67.3 mu M), (ii) alpha-glucosidase (IC50 43.6 to 50.4 mu M), (iii) glycation (IC50 31.9 to 110.3 mu M) along with pharmacokinetic profiling and toxicity assessments. These experiments collectively demonstrated improved activity of eugenol analogs for several important parameters. Specifically, six analogs-epoxy eugenol (39), hydroxy eugenol (43), aspartate eugenol (26), isoleucinate eugenol (24), glutamate eugenol (37), and glutamate-salt eugenol (27) exhibited superior bioavailability, absorption, and distribution over to the parent compound eugenol. These analogs were found to be non-toxic and safe for oral administration. Overall, the study establishes a mechanistic and rational framework for modifying eugenol to overcome its inherent biopharmaceutical limitations, positioning them as promising candidates for treating diabetes and glycation-related conditions.

}, keywords = {Amino acid conjugates, Antidiabetic activity, Bioavailability enhancement, Drug design and synthesis, Eugenol analogs, In silico and in vitro studies}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2025.145175}, author = {Kataria, Priyanka and Vairale, Shiva and Mote, Chandrashekhar and Joshi, Kaustubh and Joshi, Rakesh and Kulkarni, Mahesh J. and Giri, Ashok P. and Kontham, Ravindar and Agawane, Sachin B.} } @article {49813, title = {One-pot tandem oxidative-wittig olefination of primary alcohols using spent battery material as a heterogeneous catalyst in green solvent GVL}, journal = {Catalysis Letters}, volume = {156}, year = {2026}, month = {JAN}, pages = {44}, type = {Article}, abstract = {

Extensive global utilization of dry cell batteries resulted in generation of huge amount of battery waste. Up-cycling of spent battery waste material as a heterogeneous catalyst is an emerging area of research. Cathode material from spent dry cell battery (Zinc-carbon) was isolated, acid leached and calcined to obtain BCM-2 which was used as a heterogeneous catalyst for one-pot tandem oxidative-Wittig olefination in \& upsih;-valerolactone (GVL) a bio-based green solvent at a temperature of 50 degrees C. Reaction was found to proceed smoothly using an economical catalyst and environment friendly conditions to get olefins in good yield up-to 74\%. The catalyst was found to be reusable for four cycles. The reaction was carried out two-steps in one pot using spent battery material as a catalyst in GVL as a solvent under mild reaction conditions and the applicability of catalyst was shown in 13 examples. The catalyst{\textquoteright}s effectiveness was also assessed in synthesis of (E)-3, 4 {\textquoteleft}, 5-trimethoxy-trans-stilbene, an intermediate for biologically active Resveratol.

}, keywords = {One-pot, Oxidation, Spent battery, Wittig olefination}, issn = {1011-372X}, doi = {10.1007/s10562-025-05283-3}, author = {Bankar, Shubham R. and Ghadge, Sambhaji S. and Jadhav, Vrushali H.} } @article {49814, title = {Orthogonally Engineered Redox-Active Polyimide-Carbon Nanotube Hybrids for Long-Life Lithium-Ion Battery Cathode}, journal = {Small}, volume = {22}, year = {2026}, month = {JAN}, type = {Article}, abstract = {

The diverse structural tunability and engineered electronic properties of organic polymers have sparked significant interest in their use as cathode materials for lithium-ion storage. Recent advances suggest that organic cathodes can serve as promising alternatives to conventional metal oxide counterparts due to their elemental abundance, safety, and high theoretical capacity. However, developing cathode materials that simultaneously exhibit high specific capacity, long cycle life, and excellent rate performance remains a critical challenge. In this study, the synthesis and application of a redox-active polyimide based on orthogonally positioned, active site-rich mellitic trianhydride (MTA) and naphthalene diimide (NDI), integrated with multi-walled carbon nanotubes (MWCNTs), referred to as MTA-NDI@CNT are reported. The pristine MTA-NDI polymer demonstrates a specific capacity of 60 mAh g-1 at a current density of 200 mA g-1 and exhibits remarkable cycling stability over 20 000 cycles. Upon hybridisation with CNT (10 wt.\%), the composite (MTA-NDI@CNT) delivers a nearly threefold enhancement in specific capacity, reaching 170 mAh g-1 at 500 mA g-1, along with stable cycling performance over 1300 cycles and 60.5\% capacity retention.

}, keywords = {cathode, CNT, lithium-ion battery, orthogonality, Polyimide}, issn = {1613-6810}, doi = {10.1002/smll.202509881}, author = {Thanasekar, Chandragopal and Javaregowda, Bharathkumar H. and Veer, Sairam Dnyaneshwar and Devasia, George and Krishnamurty, Sailaja and Krishnamoorthy, Kothandam and Babu, Sukumaran Santhosh} } @article {50037, title = {Phenylpropanoid-specific glycosyltransferases from mango and their potential role in defense}, journal = {Plant Physiology and Biochemistry}, volume = {232}, year = {2026}, month = {MAR}, pages = {111137}, type = {Article}, abstract = {

Alphonso mango (Mangifera indica cv. Alphonso) is a cornerstone of India{\textquoteright}s fruit industry due to its distinct aroma and shelf-life characteristics. The uridine diphosphate-dependent glycosyltransferases (UGTs) play a crucial role in stabilising aroma and defense-related specialised metabolites in fruits. The present study explores the potential role of UGTs during mango ripening and Colletotrichum gloeosporioides infection. Gene expression analysis indicated that UGTs showed dynamic expression in skin and pulp during ripening. Phylogenetic analysis revealed substrate-driven divergence of UGTs, with MiUGT92A14 and MiUGT95B15 forming distinct clades associated with flavonoid glycosylation. Recombinant UGTs showed a higher preference for UDP-glucose, which is corroborated by the high accumulation of UDP-glucose during ripening. Furthermore, it was observed that MiUGT92A14 prefers phenolic acids as substrates, while MiGT95B15 shows flavonoid specificity. Spore germination assays demonstrated that both aglycones and their glycosylated derivatives suppressed early fungal morphogenesis, supporting a role for UGT-mediated glycosylation in maintaining defense-related metabolites in a bioactive yet non-toxic form during fruit ripening. Additionally, Colletotrichum gloeosporioides inhibition assays demonstrated that glycosylated products of selected UGTs exhibited equal or enhanced antifungal activity compared with their aglycone forms, indicating that glycosylation promotes the safe accumulation of antifungal compounds by reducing aglycone toxicity to the plant. These findings suggest that glycosylation of specific metabolites is a key for ripening process and to potentiate defence against fungal pathogen.

}, keywords = {Anthracnose, defense, Flavonoid, Glycoconjugates, Uridine diphosphate-dependent glycosyl-transferase}, issn = {0981-9428}, doi = {10.1016/j.plaphy.2026.111137}, author = {Vare, Tejas and Joshi, Rakesh and Liao, Jieren and Hoffmann, Thomas and Schwab, Wilfried and Giri, Ashok} } @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 {49941, title = {Repurposed ciprofloxacin derivatives as potent autophagic-type anticancer agents}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {130}, year = {2026}, month = {JAN }, pages = {130432}, type = {Article}, abstract = {

Drug repurposing - also known as drug repositioning is a proven strategy for identifying new therapeutic uses for existing and pre-approved drugs with considerable success in recent years. Herein, we report the discovery of a novel class of ciprofloxacin-amino acid conjugates that are dynamically potent against different cancer cell lines. Some of the molecules reported herein displayed a strong anti-proliferative effect on MCF-7 (IC50: 6 mu M). The most active anti-proliferative molecule of this series 7a suppressed the proliferation of HCT116, A549, and MDAMB-231 cancer cell lines. Furthermore, we established that the treatment with 7a leads to DNA damage-mediated autophagic cell death in cancer cells. Our findings suggest that appropriate derivatization of the ciprofloxacin drug can yield promising anti-cancer compounds in easy synthetic operations.

}, keywords = {Anticancer drugs, Autophagic cell death, ciprofloxacin}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2025.130432}, author = {Gone, Nilu Vijay and Sharma, Tanisha and Joshi, Rakesh and Upreti, Akshita and Santra, Manas and Sanjayan, Gangadhar J.} } @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 {50019, title = {When facets meet impurities: Trace gas dominance over CO2 adsorption on ZnO}, journal = {Applied Surface Science}, volume = {729}, year = {2026}, month = {MAY}, pages = {166151}, type = {Article}, abstract = {

The catalytic hydrogenation of CO2 to methanol using Cu-ZnO/Al2O3 (CZA) is a key route for sustainable chemical production, when coupled with CO2-rich industrial off-gases. However, trace secondary gases, though present only at ppm levels, can poison active sites and suppress catalytic performance. In this work, we employ periodic density functional theory (DFT) to investigate interactions of H2S, SO2, NO2, NO, CO and CH4 with ZnO surfaces:(10(-)10), (10(-)11), (11(-)20), (10(-)13), and (11(-)22), and compared their adsorption pattern with CO2, the principle component of methanol synthesis. H2S dissociates on all the surfaces, SO2, and NO2 are chemisorbed, CH4 remains physisorbed, and NO, CO, and CO2 exhibit facet-dependent adsorption. Electronic structure analysis reveal that chemisorption occurs when surface energy states near the Fermi level overlap with HOMO of adsorbate, enabling charge transfer, whereas physisorption lacks such overlap. The adsorption strength follows the order: H2S SO2 NO2 NO CO CO2 CH4, suggesting that sulfur and nitrogen containing species exhibit strong chemisorption and compete with CO2 for active sites, potentially impacting the efficiency of methanol synthesis. These insights provide an atomic scale understanding of impurity-surface interactions and highlight potential role of ZnO as an efficient feed stock purifier for CO2-rich gas streams.

}, keywords = {CZA catalyst, flue gases, Valorization of CO2, ZnO}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2026.166151}, author = {Bhati, Meema and Joshi, Kavita} }