@article { ISI:000227075600029, title = {1,3-Dipolar cycloaddition reaction of D-glucose-derived nitrone with allyl alcohol: synthesis of 2-hydroxy-1-deoxycastanospermine analogues}, journal = {Journal of Organic Chemistry}, volume = {70}, number = {4}, year = {2005}, month = {FEB}, pages = {1356-1363}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The synthesis and evaluation of glycosidase inhibitory activity of polyhydroxylated indolizidine alkaloids namely 2-hydroxy-1-deoxycastanospermine 3a,b and 2-hydroxy-1-deoxy-8a-epi-castanospermine 3c,d is reported. The key step involves the intermolecular 1,3-dipolar cycloaddition of allyl alcohol to D-glucose-derived nitrone 4, followed by tosylation, that afforded four diastereomeric sugar-substituted isoxazolidines 5a-d with the desired regioselectivity. The one-pot conversion of 5a-d to pyrrolidines 8a-d by hydrogenolysis, removal of 1,2-acetonoide functionality, and hydrogenation afforded corresponding target molecules 3a-d.

}, issn = {0022-3263}, doi = {10.1021/jo048176x}, author = {Karanjule, Narayan S. and Markad, Shankar D. and Sharma, T. and Sabharwal, Sushma G. and Puranik, Vedavati G. and Dhavale, Dilip D.} } @article {42568, title = {Activation of organic reactions by perchlorates}, journal = {Advances in Organic Synthesis}, volume = {1}, year = {2005}, month = {MAR}, pages = {215-232}, type = {Article}, abstract = {

Perchlorates have been frequently employed to promote a variety of synthetic transformations under ambient conditions. For example, the LiClO4-diethyl ether solvent medium has proven to be a powerful substitute for external high pressure for Diels-Alder reactions and other organic reactions. In this chapter are discussed several such organic transformations where perchlorates have played highly significant role in promoting their rates and yields.

}, author = {Deshpande, Suvarna S. and Kumar, Anil} } @article { ISI:000230123500084, title = {Aromatic polyimides from m-phenylene diamines containing pendant groups: synthesis and characterization}, journal = {Journal Applied Polymer Science}, volume = {97}, number = {3}, year = {2005}, month = {AUG}, pages = {1377-1384}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

Two diamine monomers, 4-[4-(1-methyl-1-phenyl)phenoxy]-1,3-(diamino benzene and 4-{-[(4-methylphenyl)sulfonyl]phenoxy}-1,3-diamino benzene, were synthesized, and both diamines were polycondensed with three commercial dianhydrides to obtain aromatic polyimides containing pendant groups. The polyimides were characterized by solubility tests, viscosity measurements, IR, H-1-NMR, and C-13- NMR spectroscopy, x-ray diffraction studies, and thermogravimetric analysis. The polymides had inherent viscosities of 0.33-0.58 dL/g in m-cresol at 30 +/- 0.1 degrees C. All the polyimides were amorphous and were soluble in solvents such as NNdimethylacetamide, N-methyl-2-pyrrolidone, N,N-dimethylformamide, and in-cresol. Thermogravimetric analysis of the polymides indicated no weight loss below 410 degrees C under a nitrogen atmosphere. (c) 2005 Wiley Periodicals, Inc.

}, keywords = {heteroatom-containing polymers, High performance polymers, polyimides}, issn = {0021-8995}, doi = {10.1002/app.21859}, author = {Pal, R. R. and Patil, P. S. and Dere, R. T. and Salunkhe, M. M. and Maldar, Noormahamad N. and Wadgaonkar, P. P.} } @article { ISI:000227581000010, title = {Asymmetric synthesis of aryloxypropanolamines via OsO4-catalyzed asymmetric dihydroxylation}, journal = {Tetrahedron}, volume = {61}, number = {11}, year = {2005}, month = {MAR}, pages = {2831-2838}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {antihypertensive, asymmetric dihydroxylation, cyclic sulfates, epoxides}, issn = {0040-4020}, doi = {10.1016/j.tet.2005.01.074}, author = {Sayyed, I. A. and Thakur, V. V. and Nikalje, M. D. and Dewkar, Gajanan and Kotkar, S. P. and Sudalai, A.} } @article { ISI:000232981200014, title = {Aziridine carboxylate from D-glucose: synthesis of polyhydroxylated piperidine, pyrrolidine alkaloids and study of their glycosidase inhibition}, journal = {Organic \& Biomolecular Chemistry}, volume = {3}, number = {20}, year = {2005}, month = {OCT}, pages = {3720-3726}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The D-glucose derived aziridine carboxylate 5 was obtained from (E)-ethyl-6-bromo-1,2-O-isopropylidene-3-O-benzyl-5-deoxy-alpha-D-xylo-5 -eno-heptofuranuronate 4 through conjugate addition of benzylamine and in situ intramolecular nucleophilic expulsion of bromine. The regioselective aziridine ring-opening, using water as a nucleophile, resulted in the alpha-hydroxy-beta-aminoester 6, which was exploited in the synthesis of six and five membered azasugars 1b/1c and 2b/2c, respectively The glycosidase inhibitory activity of the title compounds was evaluated.

}, issn = {1477-0520}, doi = {10.1039/b509216g}, author = {Dhavale, Dilip D. and Kumar, K. S. A. and Chaudhari, Vinod D. and Sharma, T. and Sabharwal, Sushma G. and PrakashaReddy, J.} } @article { ISI:000232129900010, title = {Biosynthesis of gold and silver nanoparticles using emblica officinalis fruit extract, their phase transfer and transmetallation in an organic solution}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {5}, number = {10}, year = {2005}, month = {OCT}, pages = {1665-1671}, publisher = {AMER SCIENTIFIC PUBLISHERS}, type = {Article}, address = {26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USA}, abstract = {

The design, synthesis and characterization of biologically synthesized nanomaterials have become an area of significant interest. In this paper, we report the extracellular synthesis of gold and silver nanoparticles using Emblica Officinalis (amla, Indian Gooseberry) fruit extract as the reducing agent to synthesize Ag and Au nanoparticles, their subsequent phase transfer to an organic solution and the transmetallation reaction of hydrophobized silver nanoparticles with hydrophobized chloroaurate ions. On treating aqueous silver sulfate and chloroauric acid solutions with Emblica Officinalis fruit extract, rapid reduction of the silver and chloroaurate ions is observed leading to the formation of highly stable silver and gold nanoparticles in solution. Transmission Electron Microscopy analysis of the silver and gold nanoparticles indicated that they ranged in size from 10 to 20 nm and 15 to 25 nm respectively. Ag and Au nanoparticles thus synthesized were then phase transferred into an organic solution using a cationic surfactant octadecylamine. Transmetallation reaction between hydrophobized silver nanoparticles and hydrophobized chloroaurate ions in chloroform resulted in the formation of gold nanoparticles.

}, keywords = {Biosynthesis, Nanomaterials, Phase transfer, Transmetallation}, issn = {1533-4880}, doi = {10.1166/jnn.2005.184}, author = {Ankamwar, Balaprasad and Damle, C. and Ahmad, Absar and Sastry, M.} } @article { ISI:000232801900001, title = {Characterization of barium titanate: BaTiO3 (BT) ceramics prepared from sol-gel derived BT powders}, journal = {Journal of Electroceramics}, volume = {15}, number = {2}, year = {2005}, month = {NOV}, pages = {103-108}, publisher = {SPRINGER}, type = {Article}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

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

}, keywords = {barium titanate, ferroelectricity, Microstructure, relative permittivity, sol-gel processing}, issn = {1385-3449}, doi = {10.1007/s10832-005-1460-7}, author = {Deshpande, S. B. and Godbole, P. D. and Khollam, Y. B. and Potdar, H. S.} } @article { ISI:000226484200001, title = {Chelation controlled regiospecific O-substitution of myo-inositol orthoesters: convenient access to orthogonally protected myo-inositol derivatives}, journal = {Tetrahedron}, volume = {61}, number = {3}, year = {2005}, month = {JAN}, pages = {529-536}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A general method for the completely regioselective protection of the three secondary hydroxyl groups of orthoester derivatives of myo-mositol, utilizing the subtle differences in reactivity exhibited by its alkali metal alkoxides due to differences in their ability to form chelates, is described. This method provides convenient access to orthogonally protected myo-inositol derivatives. A comparison of the methylation of racemic 4-0-trityl-myo-inositol 1,3,5-orthoformate in the presence of sodium or lithium ions showed that stabilization of the C4-alkoxide by chelation with lithium overrides steric hindrance offered by the C6-axial substituent in deciding the regioselectivity during the nucleophilic O-substitution. (C) 2004 Elsevier Ltd. All rights reserved.

}, issn = {0040-4020}, doi = {10.1016/j.tet.2004.11.025}, author = {Devaraj, Subramanian and Shashidhar, M. S. and Dixit, Shailesh S.} } @article { ISI:000232157000036, title = {Cloning, preparation and preliminary crystallographic studies of penicillin V acylase autoproteolytic processing mutants}, journal = {Acta Crystallographica Section F-Structural Biology and Crystallization Communications}, volume = {61}, number = {1}, year = {2005}, month = {JAN}, pages = {124-127}, publisher = {BLACKWELL PUBLISHING}, type = {Article}, address = {9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND}, issn = {1744-3091}, doi = {10.1107/S1744309104031227}, author = {Chandra, P. M. and Brannigan, James A. and Prabhune, Asmita and Pundle, A. and Turkenburg, J. P. and Dodson, Guy G. and Suresh, C. G.} } @article { ISI:000232320400015, title = {Cloning, purification, crystallization and preliminary structural studies of penicillin V acylase from Bacillus subtilis}, journal = {Acta Crystallographica Section F-Structural Biology Communications}, volume = {61}, number = {7}, year = {2005}, month = {JUL}, pages = {680-683}, publisher = {INT UNION CRYSTALLOGRAPHY}, type = {Article}, address = {2 ABBEY SQ, CHESTER, CH1 2HU, ENGLAND}, abstract = {

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

}, issn = {2053-230X}, author = {Rathinaswamy, P. and Pundle, A. V. and Prabhune, Asmita and SivaRaman, H. and Brannigan, James A. and Dodson, Guy G. and Suresh, C. G.} } @article { ISI:000229592000044, title = {Copper- and ligand-free sonogashira reaction catalyzed by Pd(0) nanoparticles at ambient conditions under ultrasound irradiation}, journal = {Journal of Organic Chemistry}, volume = {70}, number = {12}, year = {2005}, month = {JUN}, pages = {4869-4872}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

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

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

}, issn = {0957-4522}, doi = {10.1007/s10854-005-0773-2}, author = {Gaikwad, S. P. and Dhage, S. R. and Ravi, V.} } @article { ISI:000227550500009, title = {Co-precipitation method for the preparation of nanocrystalline ferroelectric SrBi2Nb2O9 ceramics}, journal = {Journal of Electroceramics}, volume = {14}, number = {1}, year = {2005}, month = {JAN}, pages = {83-87}, publisher = {SPRINGER}, type = {Article}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

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

}, keywords = {Ceramics, Chemical synthesis, electronic materials, ferroelectricity, Oxides}, issn = {1385-3449}, doi = {10.1007/s10832-005-6588-y}, author = {Gaikwad, S. P. and Dhage, S. R. and Potdar, H. S. and Samuel, V. and Ravi, V.} } @article { ISI:000229811300003, title = {Coprecipitation technique to prepare ZnM2O6 powders}, journal = {Bulletin of Materials Science}, volume = {28}, number = {3}, year = {2005}, month = {JUN}, pages = {205-207}, publisher = {INDIAN ACADEMY SCIENCES}, type = {Article}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

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

}, keywords = {Ceramics, Electron microscopy, electronic materials, X-ray diffraction}, issn = {0250-4707}, doi = {10.1007/BF02711248}, author = {Deshpande, V. V. and Patil, M. M. and Navale, S. C. and Ravi, V.} } @article { ISI:000232157000041, title = {Crystallization and preliminary x-ray characterization of a lectin from Cicer arietinum (chickpea)}, journal = {Acta Crystallographica Section F-Structural Biology and Crystallization Communications}, volume = {61}, number = {1}, year = {2005}, month = {JAN}, pages = {141-143}, publisher = {BLACKWELL PUBLISHING}, type = {Article}, address = {9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND}, issn = {1744-3091}, doi = {10.1107/S1744309104032166}, author = {Katre, Uma V. and Gaikwad, S. M. and Bhagyawant, S. S. and Deshpande, U. D. and Khan, Mohammad Islam and Suresh, C. G.} } @article { ISI:000227299100006, title = {Destructive adsorption of methyl parathion over nanocrystalline MgO}, journal = {Indian Journal of Chemistry Section A-Inorganic Bio-Inorganic Physical Theoretical \& Analytical Chemistry}, volume = {44}, number = {2}, year = {2005}, month = {FEB}, pages = {251-255}, publisher = {NATL INST SCIENCE COMMUNICATION}, type = {Article}, address = {DR K S KRISHNAN MARG, NEW DELHI 110 012, INDIA}, abstract = {

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

}, issn = {0376-4710}, author = {Reddy, V. S. and RadheShyam, A. and Dwivedi, Reena and Gupta, R. K. and Chumbhale, Vilas R. and Prasad, R.} } @article { ISI:000232166800028, title = {Diastereoselective and general route to 5-amino-5-deoxysugars: influence of C-3 substitution on the addition of amines to C-5 of vinyl sulfone-modified Hex-5-enofuranosyl carbohydrates}, journal = {Journal of Organic Chemistry}, volume = {70}, number = {20}, year = {2005}, month = {SEP}, pages = {8047-8054}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

In the synthesis of vinyl sulfone-modified hex-5-enofuranosides, the E/Z ratios of the products are influenced by the stereoelectronic property of a group present at the C-3 position. This observation has been utilized to influence the diastereoselectivity of addition of amines to C-5 of vinyl sulfone-modified hex-5-enofuranosides, which are efficient Michael acceptors. The stereoelectronic effect of OMe attached to the beta-face of C-3 (gluco derivative) is sufficient to impose diastereoselectivity overwhelmingly in favor of L-ido-aminosugars when the Michael acceptor is reacted with both primary and secondary amines. 3-O-Benzylated gluco derivative is also effective in producing L-ido-aminosugars but only in reactions with primary amines. The selectivity is lost when an allo derivative with OBn at the alpha-face of C-3 is used. Selected products were desulfonated to establish this new approach as a general and versatile strategy for accessing 5-amino-5-deoxysugars.

}, issn = {0022-3263}, doi = {10.1021/jo051143c}, author = {Das, Indrajit and Pathak, T. and Suresh, C. G.} } @article { ISI:000232802700002, title = {Durability of natural fiber-reinforced composites of ethylene-propylene copolymer under accelerated weathering and composting conditions}, journal = {Journal of Thermoplastic Composite Materials}, volume = {18}, number = {6}, year = {2005}, month = {NOV}, pages = {489-508}, publisher = {SAGE PUBLICATIONS LTD}, type = {Article}, address = {1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND}, abstract = {

Three types of composites are prepared by the melt mixing of ethylene-propylene copolymer (EPC) with (i) 3 \% NaOH-treated jute fiber, (ii) 17.5 \% NaOH-treated jute fiber, and (iii) commercial microcrystal line cellulose powder using maleated EPC as compatibilizer. The composites obtained are characterized by FTIR and microscopic measurements. Their mechanical properties are measured using a UTM (Instron model 4204). The durability of the composites is evaluated in an irradiation chamber with UV radiation of wavelength lambda \>= 290 mn and composting conditions at different time intervals. The composites made from microcrystalline cellulose show superior mechanical properties, biodisintegrability, as well as photoresistance whereas the specimen containing 3\% NaOH-treated fiber exhibited the lowest photoresistance. Increasing the quantity of maleated EP (MEP) in the composition decreases photostability. Neat EPC has been found to be highly stable than all the composites with increasing UV irradiation. It has been found that the composites are less durable under both abiotic and biotic conditions in comparison to the neat polymer.

}, keywords = {compatibilization, composites, jute fiber, mechanical properties, Microcrystalline cellulose, photodegradation and composting}, issn = {0892-7057}, doi = {10.1177/0892705705054411}, author = {Kumar, A. P. and Depan, Dilip and Singh, R. P.} } @article { ISI:000229127000022, title = {Effect of 2-(2-pyridyl)azole-based ancillary ligands (L1-4) on the electrophilicity of the nitrosyl function in [Ru-II(trpy)(L1-4)(NO)](3+) [trpy=2,2 {\textquoteleft}: 6 {\textquoteleft},2 {\textquoteleft}{\textquoteright}-terpyridine]. synthesis, structures, and spectroscopic, electrochemical, and kinetic aspects}, journal = {Inorganic Chemistry}, volume = {44}, number = {10}, year = {2005}, month = {MAY}, pages = {3499-3511}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

}, issn = {0020-1669}, doi = {10.1021/ic048184w}, author = {Chanda, N. and Paul, D. and Kar, S. and Mobin, Shaikh M. and Datta, Anindya and Puranik, Vedavati G. and Rao, K. K. and Lahiri, Goutam Kumar} } @article { ISI:000227590100009, title = {Effects of conjugation length and donor-acceptor functionalization on the non-linear optical properties of organic push-pull molecules using density functional theory}, journal = {Journal of Molecular Structure-Theochem}, volume = {715}, number = {1-3}, year = {2005}, month = {FEB}, pages = {59-64}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

We consider a series of dipolar organic molecules where the donor groups and the acceptor groups are separated by pi-conjugation like phenyl ring or alkene chains. We have performed extensive quantum chemical calculations based on density functional theory (DFT) to calculate their linear and non-linear optical coefficients. We show that though DFT is known to overestimate the polarizabilities of quasilinear systems,the results with proper inclusion of exchange correlation compare well with the experimental studies. On increasing the pi-conjugation length, the coefficients increase non-linearly. We also vary the donor and the acceptor groups and study the role of chemical modifications on the response properties. Herein we suggest experimental methods by which the molecules may be arranged in non-centrosymmetric fashion in the bulk for device integration. (c) 2004 Elsevier B.V. All rights reserved.

}, keywords = {DFr, donor-acceptor functionalization, non-linear properties, push-pull molecules}, issn = {0166-1280}, doi = {10.1016/j.theochem.2004.10.054}, author = {Datta, Anindya and Pal, S.} } @article { ISI:000233001300007, title = {Efficient and improved method for the Biginelli reaction using solid superacid (sulphated SnO2)}, journal = {Heterocyclic Communications}, volume = {11}, number = {5}, year = {2005}, month = {OCT}, pages = {399-402}, publisher = {FREUND PUBLISHING HOUSE LTD}, type = {Article}, address = {PO BOX 35010, TEL AVIV 61350, ISRAEL}, abstract = {

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

}, keywords = {Biginelli, DHPM, sulphated SnO2}, issn = {0793-0283}, author = {Bhosale, R. S. and Hashmi, A. M. and Zubaidha, P. K. and Dongare, Mohan K.} } @article { ISI:000236923500003, title = {Efficient and selective cleavage of the tert-butoxycarbonyl (Boc) group under basic condition}, journal = {Arkivoc}, number = {14}, year = {2005}, month = {MAY}, pages = {20-28}, publisher = {ARKAT USA INC}, type = {Article}, address = {C/O ALAN R KATRITZKY, UNIV FLORIDA, DEPT CHEMISTRY, PO BOX 117200, GAINESVILLE, FL 32611 USA}, abstract = {

A simple, efficient and mild method for the selective cleavage of tert-butoxycarbonyl (Boc) from dicarbamates and a carbonyl or aromatic ring in conjugation with the nitrogen atom bearing the Boc-group is described under basic condition.

}, keywords = {alpha-amino acids, celogenitins, di-t-butylimidodicarbonate, racemization, Selective deprotection}, issn = {1424-6376}, author = {Mohapatra, Debendra K. and Durugkar, Kulbhushan A.} } @article { ISI:000232045500026, title = {Efficient synthesis of 2,3-aziridino-gamma-lactones from azetidin-2-ones}, journal = {Synlett}, number = {15}, year = {2005}, month = {SEP}, pages = {2370-2372}, publisher = {GEORG THIEME VERLAG KG}, type = {Article}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

An efficient synthesis of enantiopure 2,3-aziridino-gamma-lactones from azetidin-2-ones is described. Acid-catalyzed tandem intramolecular azetidinone ring opening followed by aziridine ring formation via elimination of a mesylate group is the key step in this synthesis. 2,3-Aziridino-gamma-lactones are important precursors for biologically important glutamic acid derivatives.

}, keywords = {azetidin-2-ones, aziridines, glutamic acid, lactones}, issn = {0936-5214}, doi = {10.1055/s-2005-875563}, author = {Kale, Ajaykumar S. and Deshmukh, A. R. A. S.} } @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:000226995900011, title = {Entrapment of poly(3,4-ethylenedioxythiophene) between VS2 layers to form a new organic-inorganic intercalative nanocomposite}, journal = {Journal of Materials Chemistry}, volume = {15}, number = {8}, year = {2005}, month = {JAN}, pages = {902-909}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Here we report the synthesis and characterization of a new class of nanocomposite by direct in situ oxidative polymerization of 3,4-ethylenedioxythiophene (EDOT) with VS2 as a host material in the presence of an external oxidizing agent. Upon intercalation, the interlayer spacing of VS2 expands from 5.71 Angstrom to 14.01 Angstrom, followed by exfoliation and a restacking process facilitating expansion of the lattice in a direction perpendicular to the dichalcogenide layers. This change in interlayer separation is consistent with the existence of two phases of organic and inorganic species in the nanocomposites corresponding to the intercalation of PEDOT in the VS2 framework. The resulting nanocomposite is characterized by thermal analysis (TGA), X-ray diffraction, FTIR, SEM, TEM, and four-probe electrical conductivity measurements. The application potential of the nanocomposite as a cathode material for rechargeable lithium batteries is also demonstrated by the electrochemical intercalation of lithium into the PEDOT-VS2 nanocomposite, where a significant enhancement in the discharge capacity is observed (similar to130 mA h g(-1)) compared to that (80 mA h g(-1)) for pristine VS2.

}, issn = {0959-9428}, doi = {10.1039/b414922j}, author = {Murugan, A. Vadivel and Quintin, M. and Delville, M. H. and Campet, Guy and Vijayamohanan, K.} } @article { ISI:000225723800036, title = {Extracellular nuclease from a thermophile, streptomyces thermonitrificans: production, purification and partial characterization of - double strand preferential - deoxyribonuclease activity}, journal = {Process Biochemistry}, volume = {40}, number = {3-4}, year = {2005}, month = {MAR}, pages = {1271-1278}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

A thermophilic strain of Streptomyces themionitrificans produced high levels of extracellular nuclease (designated as nuclease Stn beta) when grown on nutrient broth glucose medium. Maximal nuclease activity (51 U ml(-1)) was obtained, in 40 h, when the culture was grown on modified NBG medium at 45 degreesC. The enzyme was purified to homogeneity with an overall recovery of 5.6\% and a specific activity of 10,833. The relative molecular mass of the purified enzyme, determined by gel filtration, was 22.4 kDa and it showed an obligate requirement for Mn2+ for activity. The optimum pH and temperature of nuclease Stn beta were 8.0 and 45 degreesC, respectively. The enzyme was inhibited by Mg2+ CO2+, Cu2+, Zn2+ and Hg2+, inorganic phosphate, pyrophosphate, dithiothreitol, beta-mereaptoethanol, EDTA and NaCl. Nuclease Stn beta was stable to high concentrations of urea and organic solvents but susceptible to low concentrations of SDS and guanidine hydrochloride. Nuclease Stn beta is a multifunctional enzyme with substrate specificity in the order of dsDNA \> ssDNA much greater than RNA. The end products of dsDNA hydrolysis were predominantly oligonucleotides (85-90\%) and small amounts of 5{\textquoteright} mononucleotides (10-15\%) suggesting an endo mode of action. (C) 2004 Elsevier Ltd. All rights reserved.

}, keywords = {Characterization, Endonuclease, extracellular nuclease, production, Purification, Streptomyces thermonitrificans}, issn = {1359-5113}, doi = {10.1016/j.procbio.2004.05.015}, author = {Patil, N. S. and Deshmukh, Satej S. and Shankar, V.} } @article { ISI:000229066800041, title = {Functional copolymers of p-cumyl phenyl methacrylate and glycidyl methacrylate: synthesis, characterization, and reactivity ratios}, journal = {Journal Applied Polymer Science}, volume = {97}, number = {1}, year = {2005}, month = {JUL}, pages = {336-347}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

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

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

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

}, keywords = {CARPT, CFD, CT, gas-liquid flow, stirred vessel}, issn = {0009-2509}, doi = {10.1016/j.ces.2004.11.044}, author = {Khopkar, A. R. and Rammohan, A. R. and Ranade, V. V. and Dudukovic, M. P.} } @article { ISI: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:000233684200006, title = {Higher accumulation of proteinase inhibitors in flowers than leaves and fruits as a possible basis for differential feeding preference of Helicoverpa armigera on tomato (Lycopersicon esculentum Mill, Cv. Dhanashree)}, journal = {Phytochemistry}, volume = {66}, number = {22}, year = {2005}, month = {NOV}, pages = {2659-2667}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {accumulation of PI, Helicoverpa armigera, Lycopersicon esculentum, Midgut proteinases, Plant defense, Proteinase inhibitors}, issn = {0031-9422}, doi = {10.1016/j.phystochem.2005.09.006}, author = {Damle, M. S. and Giri, Ashok P. and Sainani, Mohini N. and Gupta, Vidya S.} } @article { ISI:000227853700025, title = {Highly active and selective AlSBA-15 catalysts for the vapor phase tert-butylation of phenol}, journal = {Applied Catalysis A-General}, volume = {281}, number = {1-2}, year = {2005}, month = {MAR}, pages = {207-213}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

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

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

}, keywords = {alpha-diimine nickel complex, Ethylene polymerization, late transition-metal, propylene polymerization}, issn = {0022-328X}, doi = {10.1016/j.jorganchem.2004.11.046}, author = {Liu, Hua-Rong and Gomes, P. T. and Costa, S. I. and Duarte, M. T. and Branquinho, R. and Fernandes, A. C. and Chien, J. C. W. and Singh, R. P. and Marques, Maria M.} } @article { ISI:000228203100026, title = {Hydroformylation of 1-hexene using Rh/TPPTS complex exchanged on anion exchange resin: kinetic studies}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {232}, number = {1-2}, year = {2005}, month = {MAY}, pages = {179-186}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The exchange of the Rh/Triphenylphosphine trisulfonate sodium [TPPTS] complex on to an anion exchange resin results in a stable heterogenized catalyst for the hydroformylation of alkenes. The kinetics of hydroformylation of 1-hexene using Rh/TPPTS complex exchanged on anion exchange resin to Amberlite IRA-93 has been investigated for the first time. The rate of the reaction was found to be dependent on the partial pressure of hydrogen and 1-hexene concentrations with a first order. A maximum in the rate with increasing partial pressure of carbon monoxide was observed. A rate model has been proposed which predicts the observed rate data within reasonable error. The activation energy was found to be 84.37 kJ/mol. (c) 2005 Elsevier B.V. All rights reserved.

}, keywords = {heterogenized catalyst, Hydroformylation, ion-exchange resin, kinetics, Rhodium}, issn = {1381-1169}, doi = {10.1016/j.molcata.2005.01.033}, author = {Diwakar, Makarand M. and Deshpande, R. M. and Chaudhari, Raghunath V.} } @article { ISI:000227629300008, title = {Illustration of HIV-1 protease folding through a molten-globule-like intermediate using an experimental model that implicates alpha-crystallin and calcium ions}, journal = {Biochemistry}, volume = {44}, number = {10}, year = {2005}, month = {MAR}, pages = {3725-3734}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

}, issn = {0006-2960}, doi = {10.1021/bi048378n}, author = {Dash, C and Sastry, M and Rao, M} } @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:000227632100007, title = {In vivo and in vitro effect of capsicum annum proteinase inhibitors on helicoverpa armigera gut proteinases}, journal = {Biochimica Et Biophysica Acta-General Subjects}, volume = {1722}, number = {2}, year = {2005}, month = {MAR}, pages = {156-167}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

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

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

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

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

}, keywords = {high-resolution, quadrupolar nuclei, sensitivity, Solid-state NMR}, issn = {1090-7807}, doi = {10.1016/j.jmr.2004.11.001}, author = {Amoureux, J. P. and Delevoye, L. and Steuernagel, S. and Gan, Zhengting and Ganapathy, Subramanian and Montagne, L.} } @article { ISI:000227297900050, title = {Integrated fuel cell processor for a 5-kW proton-exchange membrane fuel cell}, journal = {Industrial \& Engineering Chemistry Research}, volume = {44}, number = {5}, year = {2005}, month = {MAR}, pages = {1535-1541}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

}, issn = {0888-5885}, doi = {10.1021/ie0498450}, author = {Ratnamala, G. M. and Shah, N. and Mehta, V. and Rao, P. V. and Devotta, S.} } @article { ISI:000227578700042, title = {Keggin ion mediated synthesis of hydrophobized pd nanoparticles for multifunctional catalysis}, journal = {Langmuir}, volume = {21}, number = {6}, year = {2005}, month = {MAR}, pages = {2408-2413}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Development of simple and reliable protocols for the synthesis of organically soluble catalytically active metal nanoparticles is an important aspect of research in nanomaterials. We demonstrate herein the formation of Pd nanoparticles by reduction of aqueous Pd(NO3)(2) by photoexcited Keggin ions (phosphotungstate anions). This results in the formation of Pd nanoparticles capped with with Keggin ions that render the particles negatively charged. The Keggin ion capped Pd nanoparticles may then be phase transferred into nonpolar organic solvents such as toluene by electrostatic complexation with cationic surfactants such as octadecylamine at the liquid-liquid interface. This results in a new class of catalyst wherein both the Pd core and Keggin ion shell may be used in a range of catalytic reactions leading to a truly multifunctional catalyst dispersible in organic solvents.

}, issn = {0743-7463}, doi = {10.1021/la047717a}, author = {Mandal, Sujata and Das, Amitava and Srivastava, R. and Sastry, M.} } @article { ISI:000227293600008, title = {Kinetics of the complete combustion of dilute propane and methyl ethyl ketone over Cr-doped ZrO2 catalyst}, journal = {Chemical Engineering Science}, volume = {60}, number = {6}, year = {2005}, month = {MAR}, pages = {1575-1581}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The kinetics of the complete combustion of propane and methyl ethyl ketone (MEK) at very low concentration in air (0.45 and 0.4 mol\% in air, respectively) over Cr-doped ZrO2 (cubic) catalyst (Cr/Zr = 0.25) at different temperatures (485-673 K) in the kinetic control regime have been investigated. The combustion rate data could be fitted well to both the power law and redox (Mars-Van Krevelen) models. From the power law model, the apparent activation energy for the combustion of propane and MEK has been found to be 16.5 and 13.2 kcal mol(-1), respectively. Among the two models, the redox one, however, gave a better fit to the kinetic data for both the combustion of propane and MEK. (C) 2004 Elsevier Ltd. All rights reserved.

}, keywords = {combustion kinetics, combustion of methyl ethyl ketone, combustion of propane, Cr-doped ZrO2 (cubic) catalyst, methyl ethyl ketone, propane}, issn = {0009-2509}, doi = {10.1016/j.ces.2004.10.028}, author = {Choudhary, Vasant R. and Deshmukh, G. M.} } @article { ISI:000226471300007, title = {Kinetics of the complete combustion of dilute propane and toluene over iron-doped ZrO2 catalyst}, journal = {Energy \& Fuels}, volume = {19}, number = {1}, year = {2005}, month = {JAN}, pages = {54-63}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The kinetics of the complete combustion of propane and toluene at very low concentrations in air (0.45 and 0.3 mol \% in air, respectively) over iron-doped ZrO2 (cubic) catalyst (Fe/Zr = 0.25) at different temperatures (598-723 K) in kinetic control regime have been investigated. The combustion rate data could be fitted very well to both the power-law and redox (Mars-Van Krevelen) models. However, the redox model provided a better fit to the kinetic data for the propane combustion. It also showed a better fit to the toluene combustion data at the lower temperatures (623 K). The reaction order (with respect to the hydrocarbon), apparent activation energy, and frequency factor (from the power-law model) for the propane combustion were 0.96 (average), 21.16 kcal/mol, and 4.67 x 10(5) Mol g(-1) h(-1) kPa(-n), respectively, and those for the toluene combustion were 0.77 (average), 26.08 kcal/mol, and 1.48 x 10(7) mol g(-1) h(-1) kPa(-n), respectively.

}, issn = {0887-0624}, doi = {10.1021/ef0498871}, author = {Choudhary, Vasant R. and Deshmukh, G. M. and Mishra, D. P.} } @article { ISI:000229553300007, title = {Larvicidal activity of acacia nilotica extracts and isolation of D-pinitol - a bioactive carbohydrate}, journal = {Chemistry \& Biodiversity}, volume = {2}, number = {5}, year = {2005}, month = {MAY}, pages = {684-688}, publisher = {VERLAG HELVETICA CHIMICA ACTA AG}, type = {Article}, address = {HOFWIESENSTRASSE 26, POSTFACH, CH-8042 ZURICH, SWITZERLAND}, abstract = {

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

}, issn = {1612-1872}, doi = {10.1002/cbdv.200590044}, author = {Chaubal, Rohini and Pawar, P. V. and Hebbalkar, G. D. and Tungikar, V. B. and Puranik, Vedavati G. and Deshpande, V. H. and Deshpande, N. R.} } @article { ISI:000231426000052, title = {Layered inorganic-organic clay-like nanocomposites rearrange to form silsesquioxanes on acid treatment}, journal = {Journal Physical Chemistry B}, volume = {109}, number = {33}, year = {2005}, month = {AUG}, pages = {16034-16039}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

}, issn = {1520-6106}, doi = {10.1021/jp0526400}, author = {Kumaraswamy, Guruswamy and Deshmukh, Yogesh S. and Agrawal, Vikrant V. and Rajmohanan, P.} } @article { ISI:000231930500019, title = {Liquid-phase alkylation of phenol with long-chain olefins over WOx/ZrO2 solid acid catalysts}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {240}, number = {1-2}, year = {2005}, month = {OCT}, pages = {123-131}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {Alkylation, long-chain olefins, phenol, tungsten oxide, Zirconia}, issn = {1381-1169}, doi = {10.1016/j.molcata.2005.06.046}, author = {Sarish, S. and Devassy, Biju M. and Bohringer, Walter and Fletcher, Jack C. Q. and Halligudi, Shivaraj B.} } @article { ISI:000230701800011, title = {Low temperature complete combustion of dilute toluene and methyl ethyl ketone over Mn-doped ZrO2 (cubic) catalysts}, journal = {Journal of Chemical Technology and Biotechnology}, volume = {80}, number = {8}, year = {2005}, month = {AUG}, pages = {934-938}, publisher = {JOHN WILEY \& SONS LTD}, type = {Article}, address = {THE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W SUSSEX, ENGLAND}, abstract = {

Combustion of dilute toluene and methyl ethyl ketone over Mn-doped ZrO2 catalysts prepared using different precipitating agents, such as tetra-alkyl ammonium hydroxides and NH4OH, having Mn/Zr ratios from 0.05 to 0.67, and calcined at different temperatures has been thoroughly investigated. The Mn-doped ZrO2 catalyst shows high toluene or methyl ethyl ketone combustion activity, particularly when its ZrO2 is in cubic form, when its Mn/Zr ratio is close to 0.2, and when it is prepared using tetra-methyl ammonium hydroxide as a precipitating agent and calcined at 773 K. (c) 2005 Society of Chemical Industry.

}, keywords = {combustion of methyl ethyl ketone, combustion of toluene, Mn-doped ZrO2 catalyst}, issn = {0268-2575}, doi = {10.1002/jctb.1264}, author = {Choudhary, Vasant R. and Deshmukh, G. M. and Pataskar, S. G.} } @article { ISI:000228172600072, title = {Low-temperature complete combustion of a dilute mixture of methane and propane over transition-metal-doped ZrO2 catalysts: effect of the presence of propane on methane combustion}, journal = {Environmental Science and Technology}, volume = {39}, number = {7}, year = {2005}, month = {APR}, pages = {2364-2368}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Complete combustion of dilute methane alone or a dilute mixture of methane and propane over transition-metal (viz. Mn, Co, Cr, Fe, and Ni)-doped ZrO2 (cubic) catalysts at different temperatures (523-873 K) and a space velocity of 51 000 CM3 center dot g(-1)center dot h(-1) has been investigated for controlling methane and propane emissions from exhaust gases. The catalysts are compared for their catalytic ignition temperature and activity in the combustion of propane and methane in the presence of each other. The methane combustion activity of all the catalysts is strongly influenced by the presence of propane; it is decreased markedly. In the combustion of mixed methane and propane the Mn-doped ZrO2 and Cr-doped ZrO2 catalysts show the highest activity in the combustion of methane and propane, respectively; the Ni-doped ZrO2 shows the lowest activity in both cases. In the combustion of mixed methane and propane the propane combustion is enhanced but the methane combustion retarded when the Cr-doped ZrO2 and Mn-doped ZrO2 catalysts in a 1:1 ratio are used together in different ways (mixed or in layers).

}, issn = {0013-936X}, doi = {10.1021/es048748v}, author = {Choudhary, Vasant R. and Deshmukh, G. M. and Pataskar, S. G.} } @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:000230717500014, title = {Metalloantitubercular compounds part 3: synthesis, crystal structure, spectroscopy, electrochemistry and antimycobacterial activity of the copper(II) ciproploxacin (cfH) complex and its phenanthroline adduct}, journal = {Transition Metal Chemistry}, volume = {30}, number = {3}, year = {2005}, month = {APR}, pages = {334-340}, publisher = {SPRINGER}, type = {Article}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

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

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

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

}, keywords = {4-amino-3, 4-dihydroquinolin-2-ones, azetidin-2-ones, imines, ketenes, Microwave, transfer hydrogenation}, doi = {10.3998/ark.5550190.0006.106}, author = {Shirode, N. M. and Kulkarni, K. C. and Gumaste, V. K. and Deshmukh, A. R. A. S.} } @article { ISI: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:000232598600005, title = {Molecular mapping of stem and leaf rust resistance in wheat}, journal = {Theoretical and Applied Genetics}, volume = {111}, number = {5}, year = {2005}, month = {SEP}, pages = {846-850}, publisher = {SPRINGER}, type = {Article}, address = {233 SPRING STREET, NEW YORK, NY 10013 USA}, abstract = {

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

}, issn = {0040-5752}, doi = {10.1007/s00122-005-0005-4}, author = {Khan, R. R. and Bariana, Harbans S. and Dholakia, Bhushan B. and Naik, S. V. and Lagu, Meena D. and Rathjen, A. J. and Bhavani, Sridhar and Gupta, V. S.} } @article { ISI:000227531600007, title = {New electro-active paper actuator using conducting polypyrrole: actuation behaviour in LiClO(4) acetonitrile solution}, journal = {Synthetic Metals}, volume = {149}, number = {1}, year = {2005}, month = {FEB}, pages = {53-58}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

The construction of electromechanical actuator has been achieved by using the conducting polypyrrole films deposition onto a gold-coated cellophane paper. This is probably the first report of this type of paper actuator. The conducting polypyrrole was electro-generated using either galvanostatic or potentiostatic conditions at 0.5 mA/cm(2) current density or 0.7 V applied potential, respectively. The two types of actuators were constructed, namely: (1) Ppy/cellophane bi-layer; (2) Ppy/cellophane paper/Ppy tri-layer. These actuators showed a reversible and reproducible displacement in acetonitrile solution containing LiClO(4) (I M). The maximum displacement of 9.1 mm was recorded for tri-layer device and 3.5 mm for bi-layer device in 1 M LiClO(4) acetonitrile solutions. The results obtained in acetonitrile solution containing 1 M LiClO(4) shows that the actuator requires very low excitation voltage of 0.2 MV m(-1). The mechanism for this paper actuation phenomenon is addressed in this paper. (C) 2004 Elsevier B.V. All rights reserved.

}, keywords = {CP-EAPap actuators, electro-active paper actuator (EAPap), large displacement actuators, lightweight actuators, Ppy/cellophane paper bi-layer, Ppy/cellophane paper/Ppy tri-layer}, issn = {0379-6779}, doi = {10.1016/j.synthmet.2004.11.001}, author = {Deshpande, S. D. and Kim, Jaehwan and Yun, S. R.} } @article { ISI:000227273200009, title = {Novel one-pot synthesis of 2-Aryl-4(3H)-quinazolinones using room temperature ionic liquid as reaction medium as well as promoter}, journal = {Synthetic Communications}, volume = {35}, number = {2}, year = {2005}, month = {JUL}, pages = {231-241}, publisher = {MARCEL DEKKER INC}, type = {Article}, address = {270 MADISON AVE, NEW YORK, NY 10016 USA}, abstract = {

An efficient one-pot synthesis of 2-aryl-4(3H)-quinazolinones from 2-amino benzamides and substituted benzoyl chlorides in a room temperature ionic liquid is described. Compared with the classical reaction conditions, this new synthetic method has the advantages of recyclability of ionic liquid, very good to excellent yields (78-92\%), the absence of hazardous and expensive catalysts, and easy workup procedures giving rise to a process with minimum waste.

}, keywords = {2-amino benzamide, 2-aryl-4(3H)-quinazolinones, benzoyl chlorides, Ionic liquid}, issn = {0039-7911}, doi = {10.1081/SCC-200048433}, author = {Potewar, T. M. and Nadaf, R. N. and Daniel, Thomas and Lahoti, Rajgopal J. and Srinivasan, K. V.} } @article { ISI:000233052200016, title = {O-H center dot center dot center dot O-bridged dimers linked via C-H center dot center dot center dot O and C-H center dot center dot center dot pi interactions in 4,6-di-O-benzyl-myo-inositol 1,3,5-orthoformate}, journal = {Acta Crystallographica Section C-Crystal Structure Communications}, volume = {61}, number = {11}, year = {2005}, month = {NOV}, pages = {O628-O630}, publisher = {BLACKWELL PUBLISHING}, type = {Article}, address = {9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND}, issn = {0108-2701}, doi = {10.1107/S0108270105029422}, author = {Manoj, Kochunnoonny and Devaraj, Subramanian and Gonnade, Rajesh G. and Bhadbhade, Mohan M. and Shashidhar, M. S.} } @article {42470, title = {One pot four component reaction of isocyanides, dimethyl acetylenedicarboxylate and cyclobutene-1,2-diones: synthesis of spiro heterocycles}, journal = {Tetrahedron Letters}, volume = {48}, year = {2005}, month = {JAN}, pages = {1337{\textendash}1339}, abstract = {

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

}, doi = {10.1016/j.tetlet.2004.12.117.}, author = {Nair, Vijay and Menon, Rajeev S. and Deepthi, Ani B. and Devi, Rema and Biju, Akkattu T.} } @article { ISI: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:000230698100036, title = {Optimization of nonlinear optical properties by substituent position, geometry and symmetry of the molecule: an ab initio study}, journal = {Journal of Physical Chemistry B}, volume = {109}, number = {29}, year = {2005}, month = {JUL}, pages = {14093-14101}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Static polarizability and first- and second-order hyperpolarizability tensors are computed at the correlated level for a series of para-nitroaniline derivatives. The importance of including electron correlation effects in the determination of equilibrium structure and the molecular properties is investigated. A qualitative description of the substitution effects, planarity, and symmetric effect of the molecule on the molecular susceptibility is discussed.

}, issn = {1520-6106}, doi = {10.1021/jp051355d}, author = {Davis, D and Sreekumar, K and Sajeev, Y and Pal, S} } @article { ISI:000234204300019, title = {Oriented growth of nanocrystalline gamma ferric oxide in electrophoretically deposited films}, journal = {Hyperfine Interactions}, volume = {160}, number = {1-4}, year = {2005}, note = {International Workshop on Nanomaterials, Magnetic Ions and Magnetic Semiconductors Studies mostly by Hyperfine Interactions, M S Univ Baroda, Phys Dept, Baroda, INDIA, FEB 10-14, 2004}, month = {JAN}, pages = {199-209}, publisher = {Springer, Van Godewijckstraat 30, 3311 GZ Dordrecht, Netherlands}, type = {Article, Proceedings Paper}, address = { M S Univ Baroda, Phys Dept, Baroda, INDIA}, abstract = {

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

}, issn = {0304-3843}, doi = {10.1007/s10751-005-9165-5}, author = {Bhave, T. M. and Balasubramanian, C. and Nagar, H. and Kulkarni, S. and Pasricha, R. and Bakare, P. P. and Date, Sadgopal K. and Bhoraskar, S. V.} } @article { ISI:000229380600016, title = {Performance assessment of HC-290 as a drop-in substitute to HCFC-22 in a window air conditioner}, journal = {International Journal of Refrigeration - Revue Internationale Du Froid}, volume = {28}, number = {4}, year = {2005}, month = {JUN}, pages = {594-604}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

As per the Montreal Protocol, CFCs and HCFCs are being phased out. HCFC-22 is used in window air conditioners. This paper presents the experimental performance study of a window air conditioner with propane (HC-290), a natural refrigerant, as a drop-in substitute to HCFC-22. Experimental results showed that HC-290 had 6.6\% lower cooling capacity for the lower operating conditions and 9.7\% lower for the higher operating conditions with respect to HCFC-22. The coefficient of performance for HC290 was 7.9\% higher for the lower operating conditions and 2.8\% higher for the higher operating conditions. The energy consumption of the unit with HC-290 was lower in the range 12.4-13.5\% than HCFC-22. The discharge pressures for HC-290 were lower in the range 13.7-18.2\% than HCFC-22. For HC-290, the pressure drop was lower than HCFC-22 in both heat exchangers. This paper also presents simulation results for the heat exchangers of an HCFC-22 window air conditioner with HC-290 as a drop-in substitute. The simulation has been carried out using EVAP-COND, a heat exchanger model developed by NIST [National Institute of Standards and Technology. EVAP-COND: simulation models for finned-tube heat exchangers, Maryland, USA (2003). http://www2.bfrl.nist.gov/software/evap-cond/ [18]]. The simulated evaporator capacities are within +/- 4\% of the experimentally measured cooling capacities for both refrigerants. Simulation results for HC-290 and HCFC-22 are compared. The exit temperatures of HC-290 are lower by 0.3-1.2 degrees C in the condenser and are higher by 2.1-2.4 degrees C in the evaporator than HCFC-22. Evaporating pressures of HC-290 are lower by 2.1-3.3\% as compared to HCFC-22. The pressure drops of HC-290 are lower in both the evaporator and the condenser as compared to HCFC-22. The outlet temperatures of air for HCFC-22 and HC-290 in both heat exchangers are nearly the same. (c) 2005 Elsevier Ltd and IIR. All rights reserved.

}, keywords = {air conditioner, COP, Evaporator, experiment, performance, propane, R-22, simulation, window}, issn = {0140-7007}, doi = {10.1016/j.ijrefrig.2004.09.013}, author = {Devotta, S and Padalkar, AS and Sane, NK} } @article { ISI:000231682900021, title = {Performance assessment of HCFC-22 window air conditioner retrofitted with R-407C}, journal = {Applied Thermal Engineering}, volume = {25}, number = {17-18}, year = {2005}, month = {DEC}, pages = {2937-2949}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

This paper presents the experimental performance analysis of a 1.5 TR window air-conditioner, retrofitted with R-407C, as a substitute to HCFC-22. Experimental results showed that R-407C, for the operating conditions covered in this study, had lower cooling capacity in the range 2.1-7.9\% with respect to HCFC-22. The coefficient of performance for R-407C was lower in the range 7.9-13.5\%. The power consumption of the unit with R-407C was higher in the range 6-7\% than HCFC-22. The discharge pressures for R-407C were higher in the range 11-13\% than HCFC-22. This paper also presents simulation results of heat exchangers of an HCFC-22 window air conditioner retrofitted with R-407C. The simulation has been carried out using EVAP-COND, a heat exchanger model developed by National Institute of Standards and Technology, U.S.A. The simulated evaporator capacities are within +/- 3\% of the experimentally measured cooling capacities for both refrigerants. Simulation results for R-407C and HCFC-22 are compared. The exit temperatures of R-407C are lower by 1.9 degrees C to 5.2 degrees C in the condenser and are higher by 3.2 degrees C to 3.8 degrees C in the evaporator than HCFC-22. Evaporating pressures of R-407C are higher by 4.5-5.3\% as compared to HCFC-22. The pressure drops of R-407C are lower in both the evaporator and the condenser as compared to HCFC-22. The outlet temperatures of air for HCFC-22 and R-407C in both heat exchangers are nearly the same. (c) 2005 Elsevier Ltd. All rights reserved.

}, keywords = {cooling capacity, COP, measurement, performance, power consumption, R-407C}, issn = {1359-4311}, doi = {10.1016/j.applthermaleng.2005.03.002}, author = {Devotta, S and Padalkar, AS and Sane, NK} } @article { ISI:000226887500027, title = {Phase transitions in octanethiol-capped Ag nanocluster microfilm assemblies}, journal = {Thermochimica Acta}, volume = {426}, number = {1-2}, year = {2005}, month = {FEB}, pages = {207-212}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {differential thermal analysis, infrared spectroscopy, phase transitions, silver nanoclusters}, issn = {0040-6031}, doi = {10.1016/j.tca.2004.08.009}, author = {Ellis, A. and D{\textquoteright}Arcy-Galla, J. and Vijayamohanan, K. and Goswami, R. and Ganesan, P. G. and Ryu, C. and Ramanath, G.} } @article { ISI:000227046400028, title = {Preparation and characterization of composite electrodes of coconut-shell-based activated carbon and hydrous ruthenium oxide for supercapacitors}, journal = {Journal of Power Sources}, volume = {141}, number = {1}, year = {2005}, month = {FEB}, pages = {198-203}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The relationship between the structure-specific capacitance (F g(-1)) of a composite electrode consisting of activated coconut-shell carbon and hydrous ruthenium oxide (RuOx(OH)(y)) has been evaluated by impregnating various amounts of RuOx(OH)(y) into activated carbon that is specially prepared with optimum pore-size distribution. The composite electrode shows an enhanced specific capacitance of 250 F g(-1) in 1 M H2SO4 with 9 wt.\% ruthenium incorporated. Chemical and structural characterization of the composites reveals a homogeneous distribution of amorphous RuOx(OH)(y) throughout the porous network of the activated carbon. Electrochemical characterization indicates an almost linear dependence of capacitance on the amount of ruthenium owing to its pseudocapacitive nature. (C) 2004 Elsevier B.V. All rights reserved.

}, keywords = {activated carbon, Composite, Electrochemical characterization, pseudocapacitance, specific capacitance, supercapacitor}, issn = {0378-7753}, doi = {10.1016/j.powsour.2004.09.008}, author = {Dandekar, M. S. and Arabale, G. and Vijayamohanan, K.} } @article { ISI:000228797100048, title = {Preparation of ferroelectric BaNb2O6 the urea method}, journal = {Materials Letters}, volume = {59}, number = {14-15}, year = {2005}, month = {JUN}, pages = {1929-1931}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {Ceramics, Chemical synthesis, electronic material, ferroelectricity, Oxides}, issn = {0167-577X}, doi = {10.1016/j.matlet.2005.02.028}, author = {Dhage, S. R. and Pasricha, R. and Ravi, V.} } @article { ISI:000228698900038, title = {PVA stabilized gold nanoparticles by use of unexplored albeit conventional reducing agent}, journal = {Materials Chemistry and Physics}, volume = {92}, number = {1}, year = {2005}, month = {JUL}, pages = {229-233}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

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

}, keywords = {Chemical synthesis, electronic materials, Nanostructures, Polymer}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2005.01.016}, author = {Khanna, P. K. and Gokhale, R. and Subbarao, V. V. V. S. and Vishwanath, A. K. and Das, B. K. and Satyanarayana, C. V. V.} } @article { ISI:000230522300022, title = {Quantitative method for normalization of transfection efficiency using enhanced green fluorescent protein}, journal = {Analytical Biochemistry}, volume = {342}, number = {2}, year = {2005}, month = {JUL}, pages = {341-344}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, issn = {0003-2697}, doi = {10.1016/j.ab.2005.02.006}, author = {Dandekar, D. H. and Kumar, M. and Ladha, J. S. and Ganesh, Krishna N. and Mitra, Debashis} } @article { ISI:000229119800001, title = {Recent advances in biodegradable nanocomposites}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {5}, number = {4}, year = {2005}, month = {APR}, pages = {497-526}, publisher = {AMER SCIENTIFIC PUBLISHERS}, type = {Article}, address = {26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USA}, abstract = {

There is growing interest in developing bio-based products and innovative process technologies that can reduce the dependence on fossil fuel and move to a sustainable materials basis. Biodegradable bio-based nanocomposites are the next generation of materials for the future. Renewable resource-based biodegradable polymers including cellulosic plastic (plastic made from wood), corn-derived plastics, and polyhydroxyalkanoates (plastics made from bacterial sources) are some of the potential biopolymers which, in combination with nanoclay reinforcement, can produce nanocomposites for a variety of applications. Nanocomposites of this category are expected to possess improved strength and stiffness with little sacrifice of toughness, reduced gas/water vapor permeability, a lower coefficient of thermal expansion, and an increased heat deflection temperature, opening an opportunity for the use of new, high performance, lightweight green nanocomposite materials to replace conventional petroleum-based composites. The present review addresses this green material, including its technical difficulties and their solutions.

}, keywords = {cellulose, layered silicates and properties, Nanocomposite, poly(caprolactone)s, poly(hydroxy alkanoate)s, polyiactic acid, Starch}, issn = {1533-4880}, doi = {10.1166/jnn.2005.111}, author = {Pandey, J. K. and Kumar, A. P. and Misra, M. and Mohanty, A. K. and Drzal, L. T. and Singh, R. P.} } @article { ISI:000227930800010, title = {Room temperature ionic liquid promoted improved and rapid synthesis of 2,4,5-triaryl imidazoles from aryl aldehydes and 1,2-diketones or alpha-hydroxyketone}, journal = {Tetrahedron}, volume = {61}, number = {14}, year = {2005}, month = {APR}, pages = {3539-3546}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

An improved and rapid one-pot synthesis of 2,4,5-triaryl imidazoles in a room temperature ionic liquid is described, which does not need any added catalyst. Different ionic liquids based on 1-n-butyl and 1,3-di-n-butyl imidazolium salts were screened and their efficacy in terms of acidity and polarity have been correlated with yields and reaction period. The one-pot methodology resulting in excellent isolated yields in short reaction times is characterized by simple work up procedures and efficient recovery and recycling of the ionic liquid, which acts as a promoter. (c) 2005 Elsevier Ltd. All rights reserved.

}, keywords = {1, 2, 2-Diketones, 4, 5-triaryl imidazoles, alpha-hydroxyketone, ammonium acetate, benzaldehydes, ionic liquid (IL)}, issn = {0040-4020}, doi = {10.1016/j.tet.2005.01.116}, author = {Siddiqui, S. A. and Narkhede, U. C. and Palimkar, S. S. and Daniel, Thomas and Lahoti, Rajgopal J. and Srinivasan, K. V.} } @article { ISI:000228633100020, title = {Silicotungstate-modified zirconia as an efficient catalyst for phenol tert-butylation}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {233}, number = {1-2}, year = {2005}, month = {MAY}, pages = {141-146}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {phenol, Silicotungstic acid, tert-butylation, Zirconia}, issn = {1381-1169}, doi = {10.1016/j.molcata.2005.02.021}, author = {Devassy, Biju M. and Shanbhag, G. V. and Mirajkar, Subhash P. and Bohringer, Walter and Fletcher, Jack C. Q. and Halligudi, Shivaraj B.} } @article { ISI:000231719800006, title = {Simple and practical approach to enantiomerically pure (S)-3-hydroxy-gamma-butyrolactone: synthesis of (R)-4-cyano-3-hydroxybutyric acid ethyl ester}, journal = {Tetrahedron-Symmetry}, volume = {16}, number = {16}, year = {2005}, month = {AUG}, pages = {2717-2721}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The oxidation of alpha- or beta-(1,4) linked disaccharides or oligosaccharides with cumene hydroperoxide in the presence of a base gave (S)-3,4-dihydroxybutyic acid, which was cyclized under acidic conditions to furnish (S)-3-hydroxy-gamma-butyrolactone. This was subsequently converted into (R)-cyano-3-hydroxybutyric acid ethyl ester, an intermediate for statin based drugs and other related compounds. (c) 2005 Elsevier Ltd. All rights reserved.

}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2005.07.012}, author = {Kumar, P. and Deshmukh, A. N. and Upadhyay, R. K. and Gurjar, M. K.} } @article { ISI:000227321500008, title = {Simple oxalate precursor route for the preparation of barium-strontium titanate: Ba1-xSrxTiO3 powders}, journal = {Materials Characterization}, volume = {54}, number = {1}, year = {2005}, month = {JAN}, pages = {63-74}, publisher = {ELSEVIER SCIENCE INC}, type = {Article}, address = {360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA}, abstract = {

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

}, keywords = {barium-strontium titanate, barium-strontium titanyl oxalate, permittivity, XRF}, issn = {1044-5803}, doi = {10.1016/j.matchar.2004.11.002}, author = {Khollam, Y. B. and Deshpande, S. B. and Potdar, H. S. and Bhoraskar, S. V. and Sainkar, S. R. and Date, Sadgopal K.} } @article { ISI:000230879600018, title = {Stereoselectivity ratios in a simple Diels-Alder reaction in aqueous salt solutions of alcohols}, journal = {Tetrahedron}, volume = {61}, number = {33}, year = {2005}, month = {AUG}, pages = {8025-8030}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

This is the first exhaustive report on the variation of stereoselectivity ratios for a simple Diels-Alder reaction between cyclopentadiene and methyl acrylate. The reaction was carried out in aqueous mixtures of methanol, ethanol, propan-1-ol and butan-1-ol in presence of LiClO4, LiCl, NaCl, KCl, CaCl2 and MgCl2. The endo sterecisomer decreases with the increase in carbon chain length of the alcohol. However, LiClO4, a salting-in agent in water becomes salting-out in aqueous mixtures of alcohols. The solvent properties, thus can be attuned by adjusting the amount of solvents and salts. (c) 2005 Elsevier Ltd. All rights reserved.

}, keywords = {aqueous alcohols, Diels-Alder reaction, endolexo ratios, salts}, issn = {0040-4020}, doi = {10.1016/j.tet.2005.06.010}, author = {Deshpande, Suvarna S. and Kumar, Anil} } @article { ISI:000231458500048, title = {Studies on conducting polymer electroactive paper actuators: effect of humidity and electrode thickness}, journal = {Smart Materials \& Structures}, volume = {14}, number = {4}, year = {2005}, month = {AUG}, pages = {876-880}, publisher = {IOP PUBLISHING LTD}, type = {Article}, address = {TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND}, abstract = {

Actuators based on cellulose paper with conducting polymer (CP-EAPap) as an electrode material were constructed. The bilayer and trilayer types of actuators were fabricated by depositing conducting polypyrrole on one side and two sides of cellophane paper respectively, which was previously gold coated. By varying the deposition time, the electrode thickness was manipulated. The performance of these two types of actuators was compared with respect to humidity changes and thickness variation. The electrode thickness plays a key role in the displacement behavior of these types of actuators. The best performance at higher humidity is also characteristic of CP-EAPap actuators. The possible mechanism of actuation is addressed in this paper.

}, issn = {0964-1726}, doi = {10.1088/0964-1726/14/4/048}, author = {Deshpande, S. D. and Kim, Jaehwan and Yun, Sung-Ryul} } @article { ISI:000232886800008, title = {Synthesis and analysis of ZnO and CdSe nanoparticles}, journal = {Pramana-Journal of Physics}, volume = {65}, number = {4, SI}, year = {2005}, note = {1st National Conference on Nanoscience and Technology, Pune, INDIA, MAR 07-08, 2005}, month = {OCT}, pages = {615-620}, publisher = {INDIAN ACADEMY SCIENCES}, type = {Article}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

Zinc oxide and cadmium selenide particles in the nanometer size regime have been synthesized using chemical routes. The particles were capped using thioglycerol in case of ZnO and 2-mercaptoethanol in case of CdSe to achieve the stability and avoid the coalescence. Zinc oxide nanoparticles were doped with europium to study their optical properties. A variety of techniques like UV-Vis absorption spectroscopy, X-ray diffraction (XRD), photoluminescence (PL), X-ray photoelectron spectroscopy (XPS), Fourier transform infrared spectroscopy (FT-IR) and transmission electron microscopy (TEM) were used to carry out structural and spectroscopic characterizations of the nanoparticles.

}, keywords = {chemical capping, Doping, Nanoparticles, photoluminescence}, issn = {0304-4289}, doi = {10.1007/BF03010449}, author = {Ashtaputre, S. S. and Deshpande, Aparna and Marathe, Sayali and Wankhede, M. E. and Chimanpure, J. and Pasricha, R. and Urban, J. and Haram, Santosh K. and Gosavi, S. W. and Kulkarni, S. K.} } @article { ISI:000225497800035, title = {Synthesis and characterization of microwave-hydrothermally derived Ba1-xSrxTiO3 powders}, journal = {Materials Letters}, volume = {59}, number = {2-3}, year = {2005}, month = {JAN}, pages = {293-296}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {barium-strontium titanate, dissolution-recrystallization, Microstructure, microwave-hydrothermal synthesis, mineralizer, SEM, XRD, XRF}, issn = {0167-577X}, doi = {10.1016/j.matlet.2004.10.006}, author = {Deshpande, S. B. and Khollam, Y. B. and Bhoraskar, Y. B. and Date, Sadgopal K. and Sainkara, S. R. and Potdar, H. S.} } @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: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:000230275100032, title = {Synthesis of bismuth oxide nanoparticles at 100 degrees C}, journal = {Materials Letters}, volume = {59}, number = {19-20}, year = {2005}, month = {AUG}, pages = {2523-2525}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {Ceramics, Chemical synthesis, Electron microscopy, Oxides, X-ray diffraction}, issn = {0167-577X}, doi = {10.1016/j.matlet.2005.03.037}, author = {Patil, M. M. and Deshpande, V. V. and Dhage, S. R. and Ravi, V.} } @article { ISI:000225588700025, title = {Synthesis of bismuth titanate by the urea method}, journal = {Materials Letters}, volume = {59}, number = {4}, year = {2005}, month = {FEB}, pages = {514-516}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {Ceramics, Chemical synthesis, dielectric properties, ferroelectricity, X-ray diffraction}, issn = {0167-577X}, doi = {10.1016/j.matlet.2004.10.038}, author = {Anilkumar, Mettu and Dhage, S. R. and Ravi, V.} } @article { ISI:000225856600034, title = {Synthesis of Ce0.75Zr0.25O2 at 100 degrees C}, journal = {Ceramics International}, volume = {31}, number = {1}, year = {2005}, month = {JAN}, pages = {211-213}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

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

}, keywords = {CeO2, chemical preparation, Electron microscopy, powders, X-ray methods}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2004.04.009}, author = {Dhage, S. R. and Gaikwad, S. R. and Muthukumar, P. and Ravi, V.} } @article { ISI:000227267300021, title = {Synthesis of cis bis-beta-lactams via Staudinger cycloaddition reaction using C-2-symmetric 1,2-diamines}, journal = {Tetrahedron}, volume = {61}, number = {9}, year = {2005}, month = {FEB}, pages = {2441-2451}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

An efficient stereoselective synthesis of bis-beta-lactams via cycloaddition reaction (Staudinger reaction) of ketenes with bisimines derived from C-2-symmetric 1, 2-diamines is described. The reaction provided diastereomeric mixture of meso and C-2-symmetric cis-bis-beta-lactams with higher selectivity for meso-bis-beta-lactams. (C) 2005 Elsevier Ltd. All rights reserved.

}, keywords = {imines, ketenes, Staudinger cyclo-addition reaction, stereoselective synthesis}, issn = {0040-4020}, doi = {10.1016/j.tet.2005.01.031}, author = {Shaikh, A. L. and Puranik, Vedavati G. and Deshmukh, A. R. A. S.} } @article { ISI:000226803200008, title = {Synthesis of fine particles of ZnO at 100 degrees C}, journal = {Materials Letters}, volume = {59}, number = {7}, year = {2005}, month = {MAR}, pages = {779-781}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {Ceramics, Chemical synthesis, Electron microscopy, Oxides, X-ray diffraction}, issn = {0167-577X}, doi = {10.1016/j.matlet.2004.11.019}, author = {Dhage, S. R. and Pasricha, R. and Ravi, V.} } @article { ISI:000230389700024, title = {Synthesis of linear alkyl benzenes over zirconia-supported 12-molybdophosphoric acid catalysts}, journal = {Journal of Molecular Catalysis A - Chemical}, volume = {236}, number = {1-2}, year = {2005}, month = {JUL}, pages = {162-167}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {12-molybdophosphoric acid, benzene alkylation, linear alkyl benzene, Zirconia}, issn = {1381-1169}, doi = {10.1016/j.molcata.2005.03.033}, author = {Devassy, Biju M. and Lefebvre, F. and Bohringer, Walter and Fletcher, Jack C. Q. and Halligudi, Shivaraj B.} } @article { ISI:000230338900015, title = {Synthesis of rutile from ATO and stearic acid}, journal = {Materials Letters}, volume = {59}, number = {21}, year = {2005}, month = {SEP}, pages = {2673-2675}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {Ceramics, Chemical synthesis, Electron microscopy, Oxides, X-ray techniques}, issn = {0167-577X}, doi = {10.1016/j.matlet.2005.04.016}, author = {Patil, M. M. and Deshpande, V. V. and Deshpande, S. B. and Samuel, V. and Ravi, V.} } @article { ISI:000227164000044, title = {Synthesis of Sr0.5Ba0.5Nb2O6 by urea method}, journal = {Materials Letters}, volume = {59}, number = {8-9}, year = {2005}, month = {APR}, pages = {1053-1055}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {Ceramics, Electron microscopy, ferroelectricity, Oxides}, issn = {0167-577X}, doi = {10.1016/j.matlet.2004.12.003}, author = {Dhage, S. R. and Pasricha, R. and Ravi, V.} } @article { ISI:000230297800006, title = {tert-Butylation of p-cresol over WOx/ZrO2 solid acid catalysts}, journal = {Journal of Molecular Catalysis A - Chemical}, volume = {235}, number = {1-2}, year = {2005}, month = {JUL}, pages = {44-51}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The tert-butylation of p-cresol with tert-butanol was carried out over WO3/ZrO2 catalysts under flow conditions, The catalysts were prepared by wet impregnation method using zirconium oxyhydroxide and ammonium metatungstate. Catalysts with different WO3 loading (5-30 wt.\%) were prepared and calcined at 800 degrees C and catalyst with 15\% WO,, was calcined from 600 to 900 C. The catalysts were characterized by surface area, XRD, FTIR and TEM. The catalyst 15\% WO3/ZrO2 calcined at 800 degrees C found to be the most active in the reaction. The effect of temperature, space velocity and molar ratio of the reactants on the conversion of p-cresol and products selectivities were studied. Under the optimized reaction conditions of 130 degrees C, tert-butanol/p-cresol molar ratio of 3 and flow rate of 10 ml h(-1). p-cresol conversion was 69.8\% with selectivity to 2-tert-butyl-p-cresol 92.4\%, 2,6-di-tert-butyl-p-cresol 6.3\% and p-cresol tert-butyl ether 1.3\%. The catalytic activity is compared with sulfated zirconia, USY, H beta zeolites and montmorillonite K-10 under the optimized reaction conditions The activity of sulfated zirconia is lower than that of 15\% WO3/ZrO2 catalyst calcined at 800 C and other catalysts showed very low activity, (c) 2005 Elsevier B.V.. All rights reserved.

}, keywords = {p-Cresol, tert-butylation, tungsten oxide, Zirconia}, issn = {1381-1169}, doi = {10.1016/j.molcata.2005.03.019}, author = {Sarish, S. and Devassy, Biju M. and Halligudi, Shivaraj B.} } @article { ISI:000230753500025, title = {Titanium superoxide catalyzed selective oxidation of phenols to p-quinones with aq. H2O2}, journal = {Indian Journal of Chemistry Section B-Organic Chemistry Including Medicinal Chemistry}, volume = {44}, number = {7}, year = {2005}, month = {JUL}, pages = {1530-1532}, publisher = {COUNCIL SCIENTIFIC \& INDUSTRIAL RES}, type = {Article}, address = {ANUSANDHAN BHAWAN, 2 RAFI MARG, NEW DELHI, 110001, INDIA}, abstract = {

Titanium superoxide, a novel heterogeneous and readily accessible catalyst, is found to catalyze the selective oxidation of phenols to the corresponding 1,4-benzoquinones in preparative yields with aq. 30\% H2O2 as oxidant under mild reaction conditions.

}, issn = {0376-4699}, author = {Dewkar, Gajanan and Shaikh, T. M. and Pardhy, S. and Kulkarni, S. S. and Sudalai, A.} } @article { ISI:000229066500020, title = {Transesterification of diethyl oxalate with phenol using MoO3/SiO2 catalyst}, journal = {Applied Catalysis A-General}, volume = {285}, number = {1-2}, year = {2005}, month = {MAY}, pages = {190-195}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {diethyl oxalate, diphenyl oxalate, MoO3/SiO2, sol-gel technique, transesterification}, issn = {0926-860X}, doi = {10.1016/j.apcata.2005.02.028}, author = {Biradar, Ankush V. and Shubhangi B. Umbarkar and Dongare, Mohan K.} } @article { ISI:000231782100007, title = {Unusual stereochemical outcome of radical cyclization: synthesis of (+)-biotin}, journal = {Tetrahedron}, volume = {61}, number = {39}, year = {2005}, month = {SEP}, pages = {9273-9280}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {biotin, exocyclization, radical cyclization}, issn = {0040-4020}, doi = {10.1016/j.tet.2005.07.070}, author = {Chavan, Subhash P. and Chittiboyina, A. G. and Ramakrishna, G. and Tejwani, R. B. and Ravindranathan, T. and Kamat, Subhash K. and Rai, B. and Sivadasan, L. and Balakrishnan, K. and Ramalingam, S. and Deshpande, V. H.} } @article { ISI:000229488700008, title = {Vapor phase oxidation of 4-fluorotoluene over vanadia-titania catalyst}, journal = {Journal of Molecular Catalysis A - Chemical}, volume = {234}, number = {1-2}, year = {2005}, month = {JUN}, pages = {51-57}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

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

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

}, issn = {1359-7345}, doi = {10.1039/b414447n}, author = {Maddanimath, Trupti and Kumar, Anil and D{\textquoteright}Arcy-Galla, J. and Ganesan, P. G. and Vijayamohanan, K. and Ramanath, G.} } @article { ISI:000228435300001, title = {Zirconia-supported 12-tungstophosphoric acid as a solid catalyst for the synthesis of linear alkyl benzenes}, journal = {Journal of Catalysis}, volume = {231}, number = {1}, year = {2005}, month = {APR}, pages = {1-10}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

The liquid-phase alkylation of benzene with 1-octene and 1-dodecene was investigated with zirconia-supported 12-tungstophosphoric acid (TPA) as catalysts. We prepared the catalysts, with different TPA loading (5-20 wt\% calcined at 750 degrees C) and calcination temperatures (15 wt\% calcined from 650 to 850 degrees C), by suspending hydrous zirconia in a methanol solution of TPA, followed by drying and calcination. These catalysts were characterized by X-ray diffraction, DTG-DTA, FTIR pyridine adsorption, NH3-TPD, and P-31, MAS NMR spectroscopy measurements. The catalyst with optimum TPA loading (15\%) and calcination temperature (750 degrees C) was prepared in different solvents and characterized by P-31 MAS NMR spectroscopy. The XRD results indicate that TPA stabilizes the tetragonal phase of zirconia. The catalysts show both Bronsted and Lewis acidity, and 15\% TPA on zirconia calcined at 750 degrees C shows the highest acidity. P-31 MAS NMR spectra show two types of phosphorous species: one is the Keggin unit and the other is the decomposition product of TPA. The relative amount of each depends on TPA loading, calcination temperature, and the solvent used for the catalyst preparation. Under reaction conditions of 84 degrees C and a benzene/1-olefin molar ratio of 10 (time 1 h), the most active catalyst, 15\% TPA, calcined at 750 degrees C, gave more than 98\% olefin conversion with selectivity for 2-phenyl octane (53.5\%) and 2-phenyl dodecane (47\%). (c) 2004 Elsevier Inc. All rights reserved.

}, keywords = {12-tungstophosphoric acid, linear alkyl benzene, solvent effect, Zirconia}, issn = {0021-9517}, doi = {10.1016/j.jcat.2004.09.024}, author = {Devassy, Biju M. and Lefebvre, F. and Halligudi, Shivaraj B.} } @article { ISI:000227845200016, title = {Zirconia-supported phosphotungstic acid as catalyst for alkylation of phenol with benzyl alcohol}, journal = {Journal of Molecular Catalysis A - Chemical}, volume = {230}, number = {1-2}, year = {2005}, month = {APR}, pages = {113-119}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {Benzylation, phenol, Phosphotungstic acid, Zirconia}, issn = {1381-1169}, doi = {10.1016/j.molcata.2004.12.028}, author = {Devassy, Biju M. and Shanbhag, G. V. and Lefebvre, F. and Bohringer, Walter and Fletcher, Jack C. Q. and Halligudi, Shivaraj B.} } @article { ISI:000241691500159, title = {3-(2,4-Dichlorophenyl)-1-(4-methoxyphenyl)prop-2-en-1-one}, journal = {Acta Crystallographica Section E-Structure Reports Online}, volume = {62}, number = {11}, year = {2006}, month = {NOV}, pages = {O4773-O4774}, publisher = {BLACKWELL PUBLISHING}, type = {Article}, address = {9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND}, abstract = {

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

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

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

}, issn = {1600-5368}, doi = {10.1107/S1600536806039778}, author = {Patil, P. S. and Rosli, Mohd Mustaqim and Fun, Hoong-Kun and Razak, Ibrahim Abdul and Puranik, Vedavati G. and Dharmaprakash, S. M.} } @article { ISI:000237126200040, title = {4-Formylazetidin-2-ones, synthon for the synthesis of (2R,3S) and (2S,3R)-3-amino-2-hydroxydecanoic acid (AHDA)}, journal = {Tetrahedron}, volume = {62}, number = {18}, year = {2006}, month = {MAY}, pages = {4615-4621}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

An efficient synthesis of 3-amino-2-hydroxydecanoic acid (AHDA), a nonproteinogenic amino acid, using enantiopure 3-benzyloxy-4-formylazetidin-2-one as a building block is described. Both the enantiomers of AHDA have been synthesized from the corresponding enantiomer of 3-benzyloxy-4-formylazetidin-2-one in good yield and optical purity. (c) 2006 Published by Elsevier Ltd.

}, keywords = {Amino acids, azetidin-2-ones, Staudinger reaction, stereoselective synthesis, Wittig reaction}, issn = {0040-4020}, doi = {10.1016/j.tet.2006.01.082}, author = {Shirode, N. M. and Deshmukh, A. R. A. S.} } @article { ISI:000240393500018, title = {Analysis of single PEM fuel cell performances based on current density distribution measurement}, journal = {Journal of Fuel Cell Science and Technology}, volume = {3}, number = {3}, year = {2006}, note = {1st Conference on European Fuel Cell Technology and Applications (EFC2005), Rome, ITALY, DEC 14-16, 2005}, month = {AUG}, pages = {351-357}, publisher = {Univ Perugia; Italian Agcy New Technol \& Environm; Amer Soc Mech Engineers}, type = {Article}, address = {THREE PARK AVE, NEW YORK, NY 10016-5990 USA}, abstract = {

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

}, keywords = {current density distribution, fuel cell performance, PEFC}, issn = {1550-624X}, doi = {10.1115/1.2173664}, author = {Ghosh, P. C. and Wuester, T. and Dohle, H. and Kimiaie, N. and Mergel, J. and Stolten, D.} } @article { ISI:000241481100021, title = {Beta-lactam-azasugar hybrid as a competitive potent galactosidase inhibitor}, journal = {Tetrahedron Letters}, volume = {47}, number = {45}, year = {2006}, month = {NOV}, pages = {7923-7926}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A beta-lactam-azasugar hybrid (polyhydroxylated carbacephem) has been designed and synthesized as a potent glycosidase inhibitor. (c) 2006 Elsevier Ltd. All rights reserved.

}, keywords = {beta-Galactosidase, beta-lactam-azasugar, glycosidase inhibitor, hybrid molecules}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2006.09.005}, author = {Pandey, Ganesh and Dumbre, Shrinivas G. and Khan, Mohammad Islam and Shabab, M. and Puranik, Vedavati G.} } @article { ISI:000241717400007, title = {CFD simulation of shortstopping runaway reactions in vessels agitated with impellers and jets}, journal = {Journal of Loss Prevention in the Process Industries}, volume = {19}, number = {6}, year = {2006}, month = {NOV}, pages = {570-581}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

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

}, keywords = {CFD, impeller stirred vessels, jet mixer, runaway reaction, shortstopping}, issn = {0950-4230}, doi = {10.1016/j.jlp.2006.02.003}, author = {Dakshinamoorthy, D. and Khopkar, A. R. and Louvar, J. F. and Ranade, V. V.} } @article { ISI:000241010400014, title = {Characterization of Cd1-xZnxSe thin films deposited at low temperature by chemical route}, journal = {Journal of Materials Science-Materials in Electronics}, volume = {17}, number = {12}, year = {2006}, month = {DEC}, pages = {1055-1063}, publisher = {SPRINGER}, type = {Article}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

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

}, issn = {0957-4522}, doi = {10.1007/s10854-006-9034-2}, author = {Hankare, P. P. and Chate, P. A. and Asabe, M. R. and Delekar, S. D. and Mulla, Imtiaz S. and Garadkar, K. M.} } @article { ISI: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:000237358000001, title = {Characterization of polydimethylsiloxane rubber upon photochemical, thermal, salt-fog ageings and exposure to acid vapours}, journal = {E-Polymers}, year = {2006}, month = {MAY}, pages = {Article No. 013}, publisher = {EUROPEAN POLYMER FEDERATION}, type = {Article}, address = {1, QUAI LEZAY-MARNESIA, F067000 STRASBOURG, FRANCE}, abstract = {

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

}, issn = {1618-7229}, author = {Delor-Jestin, Florence and Tomer, N. S. and Singh, R. P. and Lacoste, Jacques} } @article { ISI:000237850400019, title = {Chemoselective dithioacetalization of aldehydes using silica sulfuric acid as a reusable catalyst}, journal = {Indian Journal of Chemistry Section B-Organic Chemistry Including Medicinal Chemistry}, volume = {45}, number = {5}, year = {2006}, month = {MAY}, pages = {1291-1295}, publisher = {NATL INST SCIENCE COMMUNICATION}, type = {Article}, address = {DR K S KRISHNAN MARG, NEW DELHI 110 012, INDIA}, abstract = {

Silica sulfuric acid has been found to be an efficient and reusable catalyst for chemoselective dithioacetalization of aldehydes over ketones, in excellent yields.

}, keywords = {Chemoselective, dithioacetalization, silica sulfuric acid}, issn = {0376-4699}, author = {Pore, D. M. and Desai, Uday V. and Mane, R. B. and Wadgaonkar, P. P.} } @article { ISI:000242935400096, title = {Collapse transition in random copolymer solutions}, journal = {Macromolecules}, volume = {39}, number = {26}, year = {2006}, month = {DEC}, pages = {9621-9629}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

We present dynamic Monte Carlo lattice simulations of the coil to globule collapse of single chains of a copolymer comprising monomer units, m and c, wherein there is a net attractive interaction between c-units. As the copolymer is cooled, the solvent quality becomes poorer, and the size of the chain decreases, driven by the net m-m and c-c attractions. The strong c-c attraction increases the overall solvophobicity of the chain relative to a homopolymer and, therefore, copolymers collapse more abruptly and at a higher effective temperature relative to homopolymers. We compare copolymers with homopolymers by rescaling collapse data to the same theta values to account for the effect of overall solvophobicity. This comparison shows that the behavior of copolymers and the corresponding homopolymers is identical as the chain size reduces from high temperatures to the theta value. Beyond theta, copolymers with c-content \< similar to 50\% collapse more abruptly than either homopolymer, after accounting for the difference in overall solvophobicity. Collapse of copolymers containing higher c-content is dominated entirely by the c-c attractions, and these chains behave qualitatively like homopolymers with a higher effective solvophobicity. Analysis of the chain structure during collapse provides a structural reason for the qualitative change in copolymer collapse at low c-content. When such copolymers are cooled below theta, the c-units rapidly aggregate to form an isotropic, compact core surrounded by an anisotropic solvated shell of m-units. The shell densifies as the copolymer is further cooled, but remains anisotropic for the finite chain sizes investigated.

}, issn = {0024-9297}, doi = {10.1021/ma061017q}, author = {Dasmahapatra, Ashok Kumar and Kumaraswamy, Guruswamy and Nanavati, Hemant} } @article {9}, title = {Comparative study of conductive polypyrrole and polyaniline coatings on electro-active papers}, journal = {Polymer Journal}, volume = {38}, number = {7}, year = {2006}, note = {IUPAC Symposium on Ionic Polymerization, Goa, INDIA, OCT 23-28, 2005}, month = {JAN}, pages = {659-668}, publisher = {IUPAC; Council Sci \& Ind Res; Ind Natl Sci Acad, Dept Sci \& Technol; Reliance Ind Ltd}, type = {Article}, address = {233 SPRING STREET, NEW YORK, NY 10013 USA}, abstract = {

{A comparative study is performed on the conductive polymer-coated electro-active paper (EAPap) actuators by aiming at improving the overall performance of the actuators. Conductive Polymer coated Electro-active Paper [

}, keywords = {conifer, glufosinate, particle bombardment, Pinus roxburghii, stable transformation}, issn = {0721-7714}, doi = {10.1295/polymj.PJ2005185}, author = {Kim, Jachwan and Deshpande, S. D. and Yun, Sungryul and Li, Qubo} } @article { ISI:000241435600021, title = {Convergent approach toward the synthesis of the stereoisomers of C-6 homologues of 1-deoxynojirimycin and their analogues: evaluation as specific glycosidase inhibitors}, journal = {Journal of Organic Chemistry}, volume = {71}, number = {22}, year = {2006}, month = {OCT}, pages = {8481-8488}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A new and stereoselective strategy is developed to synthesize an appropriate template 9 to obtain C-6 homologues of 1-deoxyazasugars such as 1-deoxy-D-galactohomonojirimycin ( 5), 1-deoxy-4-hydroxymethyl-D-glucohomonojirimycin (6), and their enantiomers. The template 9 is also used to obtain neutral nonbasic pseudo-glyconolactam (8), C-4 amino, and methyl analogues of 1-deoxy- homonojirimycin as new analogues of 1- deoxyhomoazasugars. Compound 5 is found to be a potent and specific inhibitor to alpha-galactosidase (K-i = 1.7 mu M). Similarly compounds 6 (K-i = 28 mu M), ent-5 (K-i = 129 mu M), and ent-6 K-i = 12 mu M) exhibited specific inhibition of beta-glucosidase.

}, issn = {0022-3263}, doi = {10.1021/jo061455v}, author = {Pandey, Ganesh and Dumbre, Shrinivas G. and Khan, Mohammad Islam and Shabab, M.} } @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:000238298100027, title = {Co-precipitation technique for the preparation of ferroelectric BaBi2Ta2O9}, journal = {Materials Chemistry and Physics}, volume = {98}, number = {2-3}, year = {2006}, month = {AUG}, pages = {344-346}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

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

}, keywords = {Ceramics, Chemical synthesis, electronic material, ferroelectricity, Oxides}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2005.09.036}, author = {Dhage, S. R. and Pasricha, R. and Murugan, A. Vadivel and Ravi, V.} } @article { ISI:000237126200010, title = {Cyclitol based metal complexing agents. preference for the extraction of lithium by myo-inositol based crown-4-ethers depends on the relative orientation of crown ether oxygen atoms}, journal = {Tetrahedron}, volume = {62}, number = {18}, year = {2006}, month = {MAY}, pages = {4360-4363}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

myo-Inositol derived crown-4-ethers in which two of the oxygen atoms in the crown ether moiety have different relative orientations were prepared. Metal picrate binding studies revealed that the crown ether having 1,3-diaxial orientation shows the highest selectivity for binding to lithium although the crown ether having 1,2-diequatorial orientation exhibited the highest binding constant for lithium picrate. These results suggest that relative binding affinity of metal ions to crown ethers can be tuned by varying the relative orientation of crown ether oxygen atoms. The relevance of these results to the previously observed regioselectivity during the O-substitution of myo-inositol orthoesters is discussed. (c) 2606 Elsevier Ltd. All rights reserved.

}, keywords = {crown ether, Cyclitol, Inositol, ligand, lithium, metal complex}, issn = {0040-4020}, doi = {10.1016/j.tet.2006.02.075}, author = {Dixit, Shailesh S. and Shashidhar, M. S. and Devaraj, Subramanian} } @article { ISI:000239359100012, title = {Dielectric properties of BaTiO3 ceramics prepared from powders with bimodal distribution}, journal = {Journal of Industrial and Engineering Chemistry}, volume = {12}, number = {4}, year = {2006}, month = {JUL}, pages = {584-588}, publisher = {KOREAN SOC INDUSTRIAL ENGINEERING CHEMISTRY}, type = {Article}, address = {A-803 TWIN BLDG, 275-3, YANGJAE-DONG, SEOCHO-KU, SEOUL 137-130, SOUTH KOREA}, abstract = {

BaTiO3 (BT) powders having bimodal distribution were synthesized successfully through a simple classical solid-state reaction route using cheap BaCO3 and TiO2 as starting materials. These powders were further processed in the form of green pellets to obtain dense BT ceramics having densities of similar to 94 similar to 96 \% after sintering in air at 1350 and 1400 degrees C/4 h in air. The room temperature dielectric constant (epsilon(RT)) of similar to 1500 at 1 KHz frequency was increased to : 10000 at a Curie temperature (T-C) similar to 126 degrees C, showing a very sharp transition from a polar tetragonal to a non-polar cubic structure. The dielectric loss factor (tan 6) was similar to 1.5 \%. SEM studies revealed the presence of dense microstructures having a distribution of smaller grains (size: 2 similar to 3 gm) surrounded by larger grains (\>= 35 mu m). The ferroelectric hysteresis loop measurements on these samples gave values of spontaneous polarization (P-s) of similar to 12.0 mu C/cm(2), a coercive field (E-C) of similar to 2 similar to 2.5 kV/cm, and a dielectric strength (E-b) of similar to 48.0 kV/cm. DC-resistivity as high as 1.5 x 10(9) Omega-cm was obtained in these samples. All these results are quite comparable with reported ferroelectric/dielectric data and are discussed elaborately in this paper.

}, keywords = {BaTiO3, dielectric-ferroelectric properties, Microstructure, Sintering, stoichiometry}, issn = {1226-086X}, author = {Deshpande, S. B. and Potdar, H. S. and Patil, M. M. and Deshpande, V. V. and Khollam, Y. B.} } @article { ISI:000241849000022, title = {Direct somatic embryogenesis and plant regeneration in Garcinia indica Choiss}, journal = {Current Science}, volume = {91}, number = {8}, year = {2006}, month = {OCT}, pages = {1074-1078}, publisher = {CURRENT SCIENCE ASSN}, type = {Article}, address = {C V RAMAN AVENUE, PO BOX 8005, BANGALORE 560 080, INDIA}, abstract = {

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

}, keywords = {Garcinia indica, guttifereae, seeds, somatic embryos}, issn = {0011-3891}, author = {Thengane, Shubhada Ratnakar and Deodhar, Swapna R. and Bhosle, S. V. and Rawal, S. K.} } @article { ISI:000237477400077, title = {Directed organization of gold nanoclusters on silver nanowires: a step forward in heterostructure assembly}, journal = {Applied Physics Letters}, volume = {88}, number = {19}, year = {2006}, month = {MAY}, pages = {193103}, publisher = {AMER INST PHYSICS}, type = {Article}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {

We investigate the directed assembly of tridecylamine protected gold nanoclusters of 4-5 nm size on functionalized silver nanowires of 55-60 nm diameter and the electron transfer behavior of this integrated structure using transmission electron microscopy, non-contact atomic force microscopy, and scanning tunneling microscopy/spectroscopy. Linear I-V for bare silver nanowire suggests metallic behavior but high tunnel resistance indicates presence of insulating layer on the surface. Identical I-Vs obtained for isolated gold nanoparticle and heterostructure suggests that electron transport across nanowires in the latter is governed by gold nanoparticles in contrast to expected ballistic or diffusive transport along their length.(c) 2006 American Institute of Physics.

}, issn = {0003-6951}, doi = {10.1063/1.2200284}, author = {Sharma, J. and Vivek, J. P. and Vijayamohanan, K. P. and Singh, P. and Dharmadhikari, C. V.} } @article {42469, title = {DMAP-catalyzed reaction of beta-ketoesters and dimethyl acetylenedicarboxylate: an efficient synthesis of polysubstituted benzenes and biaryls}, journal = {Tetrahedron}, volume = {62}, year = {2006}, month = {SEP}, pages = {10136{\textendash}10140}, type = {Article}, abstract = {

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

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

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

}, issn = {0957-4484}, doi = {10.1088/0957-4484/17/23/030}, author = {Karmakar, Soumen and Nagar, Harshada and Pasricha, R. and Seth, T. and Sathe, V. G. and Bhoraskar, S. V. and Das, A. K.} } @article { ISI:000240707800018, title = {Effect of annealing on properties of ZrSe2 thin films}, journal = {Journal of Crystal Growth}, volume = {294}, number = {2}, year = {2006}, month = {SEP}, pages = {254-259}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Thin films of ZrSe2 have been prepared on stainless steel and fluorine-doped tin oxide-coated glass substrates using electrodeposition technique at potentiostatic mode. Double-distilled water containing precursors Zr and Se with ethylene diamine tetra-acetic acid disodium salt as a complexing agent was used to obtain good quality deposits by controlling the rate of reaction. The preparative parameters such as concentration of bath, deposition time, bath temperature, pH of the bath and annealing temperature have been optimized using photoelectrochernical (PEC) technique. The films deposited at optimum preparative parameters are annealed at different temperatures. The film annealed at 200 degrees C shows more photosensitivity. The as-deposited and annealed films at 200 degrees C have been characterized by X-ray diffraction (XRD), energy dispersive analysis by X-ray (EDAX), optical absorption and scanning electron microscopy (SEM). The XRD analysis of the as-deposited and annealed films showed the presence of polycrystalline nature with hexagonal crystal structure. EDAX study reveals that deposited films are almost stoichiometric. Optical absorption study shows the presence of direct transition and band gap energies are found to be 1.5 and 1.38 eV, respectively, for the as-deposited and annealed films. SEM study revels that the grains are uniformly distributed over the surface of substrate for the as-deposited as well as annealed film, which indicates formation of good and compact type of crystal structure. (c) 2006 Elsevier B.V. All rights reserved.

}, keywords = {band gap, EDAX, Electrodeposition, PEC, SEM, XRD, ZrSe2 thin films}, issn = {0022-0248}, doi = {10.1016/j.jcrysgro.2006.06.018}, author = {Hankare, P. P. and Asabe, M. R. and Kokate, A. V. and Delekar, S. D. and Sathe, D. J. and Mulla, Imtiaz S. and Chougule, B. K.} } @article { ISI:000238502400002, title = {Effect of calcination temperature on the catalytic activity of zirconia-supported heteropoly acids}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {253}, number = {1-2}, year = {2006}, month = {JUL}, pages = {8-15}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Zirconia-supported silicotungstic acid (15\% STA) catalyst with different calcination temperatures (600-850 degrees C) was prepared by suspending zirconium oxyhydroxide in methanol solution of STA followed by drying and calcination. These catalysts were characterized by XRD, FTIR pyridine adsorption and DRUV-vis spectroscopy. The catalysts showed both Bronsted as well as Lewis acidity and 15\% STA on zirconia calcined at 750 degrees C (15 SZ-750) had the highest Bronsted acidity. Characterization of 15 SZ-750 catalyst by Raman spectroscopy showed the presence of zirconia-anchored mono-oxotungstate as the major tungsten species present in this catalyst. These catalysts were used in benzoylation of veratrole with benzoic anhydride and 15 SZ-750 catalyst showed the highest activity. For catalyst with support calcined at different temperatures before HPA impregnation, catalytic activity decreases as the support calcination temperature increases due to the decrease in Bronsted acidity. Comparison of the catalytic activity of 15 SZ-750 with that of zirconia-supported phosphotungstic acid (15\%, calcined at 750 degrees C, 15 PZ-750) in benzoylation of veratrole with benzoic anhydride, acylation of anisole with acetic anhydride and in alkylation of diphenylether with 1-dodecene showed that 15 SZ-750 catalyst has higher activity and deactivation resistance due to its higher Bronsted acidity. The deactivated catalyst could be regenerated by calcination without appreciable loss in activity. (c) 2006 Elsevier B.V. All rights reserved.

}, keywords = {Acylation, Alkylation, Anisole, diphenylether, Phosphotungstic acid, Silicotungstic acid, veratrole, Zirconia}, issn = {1381-1169}, doi = {10.1016/j.molcata.2006.02.068}, author = {Devassy, Biju M. and Halligudi, Shivaraj B.} } @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:000237993500018, title = {Efficient, solvent-free method for the chemoselective synthesis of acylals from aldehydes and their deprotection catalyzed by silica sulfuric acid as a reusable solid acid catalyst}, journal = {Catalysis Communications}, volume = {7}, number = {7}, year = {2006}, month = {JUL}, pages = {508-511}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {Acylals, aldehydes, Chemoselective, protection and deprotection silica sulfuric acid}, issn = {1566-7367}, doi = {10.1016/j.catcom.2005.12.028}, author = {Desai, Uday V. and Thopate, T. S. and Pore, D. M. and Wadgaonkar, P. P.} } @article { ISI:000239555500035, title = {Enhancing cross-peak intensity in 2D-SLF spectroscopy - the role of equilibrium carbon magnetization in cross-polarization experiment}, journal = {Chemical Physics Letters}, volume = {426}, number = {4-6}, year = {2006}, month = {AUG }, pages = {422-425}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, issn = {0009-2614}, doi = {10.1016/j.cplett.2006.04.069}, author = {Das, Bibhuti B. and Ajithkumar, Thalasseril G. and Ramanathan, K. V.} } @article { ISI:000239375900008, title = {Eulerian-lagrangian simulations of unsteady gas-liquid flows in bubble columns}, journal = {International Journal of Multiphase Flow }, volume = {32}, number = {7}, year = {2006}, month = {JUL}, pages = {864-885}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {Bubble column, CFD, Dynamics, Eulerian-Eulerian simulations, Eulerian-Lagrangian simulations, gas-liquid flow}, issn = {0301-9322}, doi = {10.1016/j.ijmultiphaseflow.2006.02.017}, author = {Buwa, Vivek V. and Deo, Dhanannjay S. and Ranade, Vivek V.} } @article { ISI:000238412100062, title = {Exfoliation-induced nanoribbon formation of poly(3,4-ethylene dioxythiophene) PEDOT between MoS2 layers as cathode material for lithium batteries}, journal = {Journal of Power Sources}, volume = {156}, number = {2}, year = {2006}, month = {JUN}, pages = {615-619}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {cathode material, lithium batteries, MoS2, organic-inorganic nanocomposite, PEDOT-nanoribbons}, issn = {0378-7753}, doi = {10.1016/j.jpowsour.2005.06.022}, author = {Murugan, A. Vadivel and Quintin, M. and Delville, M. H. and Campet, Guy and Gopinath, Chinnakonda S. and Vijayamohanan, K.} } @article { ISI: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:000239289800036, title = {Gamma-heteroatom directed stereocontrolled staudinger cycloaddition reaction of vinylketenes and imines}, journal = {Tetrahedron Letters}, volume = {47}, number = {33}, year = {2006}, month = {AUG}, pages = {5993-5996}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Vinylketenes possessing a gamma-heteroatom, on Staudinger cycloaddition reaction with imines gave trans-3-vinyl-beta-lactams in very good yields. The vinyl side chain stereoselectively adopts the Z-configuration in the transition state to stabilize the vinylketene and produces, exclusively, trans-3-vinyl-beta-lactams. (c) 2006 Elsevier Ltd. All rights reserved.

}, keywords = {imines, Staudinger reaction, stereoselective synthesis, vinylketenes}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2006.05.189}, author = {Shaikh, Aarif L. and Puranik, Vedavati G. and Deshmukh, A. R. A. S.} } @article { ISI:000239664900018, title = {Hydroformylation of olefins using dispersed molecular catalysts on solid supports}, journal = {Catalysis Letters}, volume = {110}, number = {1-2}, year = {2006}, month = {AUG}, pages = {129-133}, publisher = {SPRINGER}, type = {Article}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

A new method for heterogenization of metal complex catalysts by precipitation of its water-soluble analogue as a Gr.2 metals (Ca, Sr or Ba) salt on porous supports has been proposed. This technique yields a highly dispersed catalyst having a significantly higher activity (TOF) for hydroformylation of olefins compared to other known heterogenized catalysts. The catalyst can be recycled with ease.

}, keywords = {carbon support, Heterogenization, Hydroformylation, Olefins, Rhodium}, issn = {1011-372X}, doi = {10.1007/s10562-006-0095-x}, author = {Pagar, N. S. and Deshpande, R. M. and Chaudhari, Raghunath V.} } @article {42595, title = {Hydrogen bonding and rate enhancement in the photoinduced polymerization of telechelic urethane methacrylates based on a cycloaliphatic system: tricyclodecane dimethanol}, journal = {Journal of Polymer Science Part A-Polymer Chemistry}, volume = {44}, year = {2006}, month = {AUG}, pages = {4384{\textendash}4395}, type = {Article}, abstract = {

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

}, doi = {10.1002/pola.21533}, author = {Deepak, V. D. and Rajan, J. and Asha, S. K.} } @article { ISI:000237820800035, title = {Hydrophobic effects in a simple Diels-Alder reaction in water}, journal = {Tetrahedron Letters}, volume = {47}, number = {23}, year = {2006}, month = {JUN}, pages = {3957-3958}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The endolexo ratio for a simple Diels-Alder reaction carried out in water has been used to argue that hydrophobic effects can dominate the geometries of the transition states. (c) 2006 Elsevier Ltd. All rights reserved.

}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2006.03.093}, author = {Sarma, D. and Pawar, S. S. and Deshpande, Suvarna S. and Kumar, Anil} } @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:000237850400006, title = {Isolation of new straight chain compounds from acacia nilotica}, journal = {Indian Journal of Chemistry Section B-Organic Chemistry including Medicinal Chemistry}, volume = {45}, number = {5}, year = {2006}, month = {MAY}, pages = {1231-1233}, publisher = {NATL INST SCIENCE COMMUNICATION}, type = {Article}, address = {DR K S KRISHNAN MARG, NEW DELHI 110 012, INDIA}, abstract = {

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

}, keywords = {Acacia nilotica, diester, pentacosane dioic acid, saponification}, issn = {0376-4699}, author = {Chaubal, Rohini and Tambe, Amruta and Biswas, Sujata and Rojatkar, Supada and Deshpande, Vishnu and Deshpande, Nirinala} } @article { ISI:000235439900024, title = {Low temperature route to prepare LaMnO3}, journal = {Materials Letters}, volume = {60}, number = {9-10}, year = {2006}, month = {MAY}, pages = {1213-1214}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {Chemical synthesis, LaMnO3, Precipitation, transmission electron microscopy, X-ray diffraction}, issn = {0167-577X}, doi = {10.1016/j.matlet.2005.11.002}, author = {Daundkar, A. and Kale, Sangeeta N. and Gokhale, Suresh P. and Ravi, V} } @article { ISI:000236419800016, title = {MCM-41-supported platinum carbonyl cluster-derived catalysts for asymmetric and nonasymmetric hydrogenation reactions}, journal = {Journal of Catalysis}, volume = {239}, number = {1}, year = {2006}, month = {APR}, pages = {154-161}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

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

}, keywords = {asymmetric/non-asymmetric catalysis, Enantioselectivity, functionalized MCM-41, hydrogenation catalysts, platinum carbonyl cluster}, issn = {0021-9517}, doi = {10.1016/j.jcat.2006.01.032}, author = {Basu, Susmit and Mapa, Maitri and Gopinath, Chinnakonda S. and Doble, Mukesh and Bhaduri, Sumit and Lahiri, Goutam Kumar} } @article { ISI:000236901300003, title = {Micellar behavior of dodecyldimethylethyl ammonium bromide and dodecyltrimethyl ammonium chloride in aqueous media in the presence of diclofenac sodium}, journal = {Colloids and Surfaces A-Physicochemical and Engineering Aspects}, volume = {278}, number = {1-3}, year = {2006}, month = {APR}, pages = {17-25}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {diclofenac sodium, dodecyldimethylethylammonium bromide, dodecyltrimethylammoniurn chloride, Electrical conductivity, spectroscopic measurements}, issn = {0927-7757}, doi = {10.1016/j.colsurfa.2005.11.071}, author = {Mehta, S. K. and Bhasin, K. K. and Kumar, Anil and Dham, S.} } @article { ISI:000239381500020, title = {Micropropagation of Indian laurel (Calophyllum inophyllum), a source of anti-HIV compounds}, journal = {Current Science}, volume = {90}, number = {10}, year = {2006}, month = {MAY}, pages = {1393-1397}, publisher = {CURRENT SCIENCE ASSN}, type = {Article}, address = {C V RAMAN AVENUE, PO BOX 8005, BANGALORE 560 080, INDIA}, abstract = {

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

}, keywords = {Calophyllum inophyllum, ex situ conservation, micropropagation, seed}, issn = {0011-3891}, author = {Thengane, Shubhada Ratnakar and Bhosle, S. V. and Deodhar, Swapna R. and Pawar, K. D. and Kulkarni, D. K.} } @article { ISI:000241203400011, title = {Nanocomposites of polypropylene impact copolymer and organoclays: role of compatibilizers}, journal = {Polymer International}, volume = {55}, number = {11}, year = {2006}, month = {NOV}, pages = {1270-1276}, publisher = {JOHN WILEY \& SONS LTD}, type = {Article}, address = {THE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W SUSSEX, ENGLAND}, abstract = {

Nanocomposites of polypropylene impact copolymer and organoclays were prepared using different compatibilizers (polypropylene-graft-(maleic anhydride) (PPMA), polyethylene-graft-(maleic anhydride) (PEMA) and their mixture) and varying percentages of clay (3 and 6\%) in an attempt to obtain balanced mechanical properties. The nanocomposites were prepared by melt compounding and test specimens were prepared by injection molding. Mechanical properties such as tensile, flexural and Izod impact strength are reported. The clay dispersion was investigated using wide-angle X-ray diffraction while the phase morphology was characterized using scanning electron microscopy. It is shown that the mechanical properties of the system with mixed PPMA and PEMA compatibilizers showed the best balance of mechanical properties among the nanocomposites explored. (C) 2006 Society of Chemical Industry.

}, keywords = {clay, compatibilizers, Nanocomposites, polypropylene}, issn = {0959-8103}, doi = {10.1002/pi.2077}, author = {Deenadayalan, E. and Vidhate, Shailesh and Lele, Ashish K.} } @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:000241849900010, title = {Novel chemical synthetic route and characterization of zinc selenide thin films}, journal = {Journal of Physics and Chemistry of Solid}, volume = {67}, number = {11}, year = {2006}, month = {NOV}, pages = {2310-2315}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Zinc selenide (ZnSe) thin film have been deposited using chemical bath method on non-conducting glass substrate in a tartarate bath containing zinc sulfate, ammonia, hydrazine hydrate, sodium selenosulfate in an aqueous alkaline medium at 333 K. The deposition parameter of the ZnSe thin film is interpreted in the present investigation. The films were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), optical absorption, electrical measurements, atomic absorption spectroscopy (AAS). The ZnSe thin layers grown with polycrystalline zinc blende system along with some amorphous phase present in ZnSe film. The direct optical band gap {\textquoteleft}E-g{\textquoteright} for the film was found to be 2.81 eV and electrical conductivity in the order of 10(-8)(Omega cm)(-1) with n-type conduction mechanism. (c) 2006 Elsevier Ltd. All rights reserved.

}, keywords = {chalcogenides, electronic materials}, issn = {0022-3697}, doi = {10.1016/j.jpcs.2006.05.001}, author = {Hankare, P. P. and Chate, P. A. and Delekar, S. D. and Asabe, M. R. and Mulla, Imtiaz S.} } @article { ISI:000239878700022, title = {Optimization of anaerobically digested distillery molasses spent wash decolorization using soil as inoculum in the absence of additional carbon and nitrogen source}, journal = {Bioresource Technology}, volume = {97}, number = {16}, year = {2006}, month = {NOV}, pages = {2131-2135}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

The aim of this study was to achieve maximum decolorization of molasses spent wash (MSW) in absence of any additional carbon or nitrogen source using soil as inoculum. Soil samples were collected from the MSW disposal site. Colored soil samples exhibited higher pH, sugar and protein as compare to less colored samples. A decolorization of 69\% was obtained using 10\% (w/v) soil and 12.5\% (v/v) MSW after 7 days incubation. Optimized parameters including days-6 days, pH-6, MSW-12.5\% and soil concentration-40\%, were obtained for maximum decolorization. A decolorization of 81\% was achieved using 10\% soil and 12.5\% MSW after 18 days incubation in absence of any media supplement. Nearly 12\% reduction in decolorization activity of the soil sample was observed over a period of 12 months when stored at 6 degrees C. It could be concluded that the decolorization of MSW might be achieved using soil as inoculum without addition of chemical amendments. (c) 2005 Elsevier Ltd. All rights reserved.

}, keywords = {Decolorization, melanoidin, molasses spent wash (MSW), Optimization, soil}, issn = {0960-8524}, doi = {10.1016/j.biortech.2005.10.011}, author = {Adikane, H. V. and Dange, M. N. and Selvakumari, K.} } @article { ISI:000238398000019, title = {Optimization of fermentation media for exopolysaccharide production from lactobacillus plantarum using artificial intelligence-based techniques}, journal = {Process Biochemistry}, volume = {41}, number = {8}, year = {2006}, month = {AUG}, pages = {1842-1848}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

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

}, keywords = {Artificial neural network, exopolysaccharide, Fermentation, Genetic algorithm, Lactobacillus plantarum, Media optimization, Plackett-Burman}, issn = {1359-5113}, doi = {10.1016/j.procbio.2006.03.037}, author = {Desai, Kiran M. and Akolkar, S. K. and Badhe, Yogesh P. and Tambe, S. S. and Lele, S. S.} } @article {32}, title = {Phenol tert-butylation over zirconia-supported 12-molybdophosphoric acid catalyst}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {247}, number = {1-2}, year = {2006}, month = {MAR}, pages = {162-170}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The alkylation of phenol with tert-butanol was investigated using zirconia-supported 12-molybdophosphoric acid (MPA) as catalyst. The catalysts with different MPA loading (5-25 wt.\% calcined at 700 degrees C) and calcination temperature (15 wt.\% calcined from 500 to 750 degrees C) were prepared by suspending zirconium oxyhydroxide in methanol solution of MPA followed by drying and calcination. These catalysts were characterized by X-ray diffraction and (31)p MAS NMR spectroscopy measurements. The XRD results indicated that MPA stabilizes the tetragonal phase of zirconia. (31)p MAS NMR spectra showed the presence of three types of phosphorous species, phosphomolybdate in interaction with zirconia, decomposition product of MFPA and an unidentified species. IFTIR pyridine adsorption on 15\% MPA catalyst calcined at different temperatures showed the presence of both Bronsted and Lewis acidity and the catalyst calcined at 700 degrees C showed the highest relative Bronsted acidity. Under the reaction conditions of 140 degrees C, tert-butanol/phenol molar ratio of 2 and LHSV of 4 h(-1), the phenol conversion was 80.6\% at 2 h (selectivity to 2-TBP 11.5\%, 2,4-DTBP 55.2\%, and 4-TBP 25.7\%), which decreased slowly with time and at 31 h, it was 58.5\% (selectivity to 2-TBP 15.2\%, 2,4-DTBP 41.6\%, and 4-TBP 38.4\%). The major reason for the catalyst deactivation was the reduction and leaching of MPA from the catalyst surface. (c) 2005 Elsevier B.V. All rights reserved.

}, keywords = {12-molybdophosphoric acid, phenol, tert-butylation, Zirconia}, issn = {1381-1169}, doi = {10.1016/j.molcata.2005.11.043}, author = {Devassy, Biju M. and Shanbhag, G.V. and Halligudi, S.B.} } @article { ISI:000241849900014, title = {Photoelectrochemical properties of electrochemically deposited CdIn2S4 thin films}, journal = {Journal of Physics and Chemistry of Solids}, volume = {67}, number = {11}, year = {2006}, month = {NOV}, pages = {2331-2336}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {Thin films, X-ray diffraction}, issn = {0022-3697}, doi = {10.1016/j.jpcs.2006.05.022}, author = {Kokate, A. V. and Asabe, M. R. and Delekar, S. D. and Gavali, L. V. and Mulla, Imtiaz S. and Hankare, P. P. and Chougule, B. K.} } @article { ISI:000243157600086, title = {Physical manipulation of biological and chemical syntheses for nanoparticle shape and size control}, journal = {Applied Physics Letters}, volume = {89}, number = {26}, year = {2006}, month = {DEC}, pages = {Article No. 263105}, 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 nanosynthesis scheme is demonstrated which renders excellent control of nanoparticle shape, size, and dispersity in a solution based synthesis process. The scheme, termed as percolative microcavity synthesis, involves the use of a granular medium with percolative microcavities which facilitate nearly similar grain size/shape dependent reaction zones limiting intrinsic growth inhomogeneities, enabling particle size/shape control. The viability of the process is demonstrated for the synthesis of gold nanoparticles by a plant extract based biological method as well as a chemical method. (c) 2006 American Institute of Physics.

}, issn = {0003-6951}, doi = {10.1063/1.2424272}, author = {Ogale, Satishchandra B. and Ahmad, Absar and Pasricha, R. and Dhas, Vivek V. and Syed, A.} } @article { ISI:000242873400035, title = {Potassium phosphate or silica sulfuric acid catalyzed conjugate addition of thiols to alpha,beta-unsaturated ketones at room temperature under solvent-free conditions}, journal = {Tetrahedron Letters}, volume = {47}, number = {52}, year = {2006}, month = {DEC}, pages = {9325-9328}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {alpha, beta-unsaturated ketones, chalcones, conjugated enones, Michael addition, Potassium phosphate, silica sulfuric acid, thiols}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2006.10.114}, author = {Pore, D. M. and Soudagar, M. S. and Desai, Uday V. and Thopate, T. S. and Wadagaonkar, P. P.} } @article { ISI:000238928100018, title = {Preparation and characterization of novel hybrid of chitosan-g-lactic acid and montmorillonite}, journal = {Journal of Biomedical Materials Research Part A}, volume = {78A}, number = {2}, year = {2006}, month = {AUG}, pages = {372-382}, publisher = {WILEY-LISS}, type = {Article}, address = {DIV JOHN WILEY \& SONS INC, 111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

The utilization of biopolymers and the development of organic-inorganic hybrids are ever increasing interest of material science researchers around the globe for various applications. The present attempt is intended to prepare nanocomposites of lactic acid grafted chitosan and layered silicates. Nanocomposites were prepared by dissolving chitosan and dispersing sodium montmorillonite in aqueous solution of L-lactic acid with subsequent heating and film casting. They were characterized by conventional techniques such as Fourier transform infrared spectroscopy, X-ray diffractometry, thermogravimetric analysis, energy dispersive X-ray spectroscopy, and elemental analysis. The results from polar optical and transmission electron microscopic measurements are also discussed. Sorption behavior of samples has been followed by measuring swelling degree and contact angle. The films have shown enhanced hydrophilicity when compared with polylactic acid (PLA). Issues on the interactions of polycationic chitosan with clay are also discussed. It is observed that nanocomposites are exhibiting better thermal and physical properties than neat chitosang-LA and PLA. (c) 2006 Wiley Periodicals, Inc.

}, keywords = {Chitosan, contact angle, graft copolymerization, Nanocomposites, polylactic acid, water absorption}, issn = {1549-3296}, doi = {10.1002/jbm.a.30738}, author = {Depan, Dilip and Kumar, Annamalai Pratheep and Singh, Raj Pal} } @article { ISI:000242427200014, title = {Preparation and characterization of urea-formaldehyde-pepsin bioconjugate: a new biocatalyst system}, journal = {Biotechnology Progress}, volume = {22}, number = {6}, year = {2006}, month = {DEC}, pages = {1585-1590}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

}, issn = {8756-7938}, doi = {10.1021/bp0602247}, author = {Vinod, V. P. and Shinde, Sudhirkumar and D{\textquoteright}Britto, Virginia and Shukla, P. G. and Rao, Mala} } @article { ISI:000235256200004, title = {Preparation of gamma-Fe2O3 nanoparticles using DC thermal arc-plasma route, their characterization and magnetic properties}, journal = {Scripta Materialia}, volume = {54}, number = {7}, year = {2006}, month = {APR}, pages = {1235-1240}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {chemical analysis, DC thermal arc-plasma route, maghemite, Mossbauer spectroscopy, XPS}, issn = {1359-6462}, doi = {10.1016/j.scriptamat.2005.12.029}, author = {Banerjee, Indrani and Khollam, Y. B. and Balasubramanian, C. and Pasricha, R. and Bakare, P. P. and Patil, K. R. and Das, A. K. and Bhoraskar, S. V.} } @article { ISI:000237725100015, title = {Regioselective nitration of cumene to 4-nitro cumene using nitric acid over solid acid catalyst}, journal = {Catalysis Communications}, volume = {7}, number = {6}, year = {2006}, month = {JUN}, pages = {394-398}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {cumene, nitration, ring nitration, side chain nitration, solid acid catalyst}, issn = {1566-7367}, doi = {10.1016/j.catcom.2005.12.022}, author = {Mathew, Sanyo M. and Biradar, Ankush V. and Shubhangi B. Umbarkar and Dongare, Mohan K.} } @article {Datar, title = {Remarkably rapid regioselective synthesis of beta-enaminones using silica chloride in a heterogeneous as well as an ionic liquid in a homogeneous medium at room temperature}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {245}, number = {1-2}, year = {2006}, note = {6th International Conference on Solvothermal Reactions, Mysore, INDIA, AUG 24-27, 2004}, month = {FEB}, pages = {37-46}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

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

}, keywords = {direct oxidation of H-2 to H2O2, H2O2 decomposition, H2O2 hydrogenation, Promoting action of chloride or bromide anions, supported Pd catalysts}, issn = {0021-9517}, doi = {10.1016/j.molcata.2005.09.021}, author = {Gholap, Atul R. and Chakor, N. S. and Daniel, Thomas and Lahoti, Rajgopal J. and Srinivasan, K. V.} } @article { ISI:000238843200010, title = {Repetitive somatic embryogenesis and plant regeneration in Garcinia indica Choiss}, journal = {In Vitro Cellular \& Developmental Biology-Plant}, volume = {42}, number = {3}, year = {2006}, month = {MAY}, pages = {256-261}, publisher = {CABI PUBLISHING}, type = {Article}, address = {C/O PUBLISHING DIVISION, NOSWORTHY WAY, WALLINGFORD OX10 8DE, OXON, ENGLAND}, abstract = {

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

}, keywords = {Garcinia indica, guttifereae, secondary somatic embryos, seeds, somatic embryos}, issn = {1054-5476}, doi = {10.1079/IVP2006763}, author = {Thengane, Shubhada Ratnakar and Deodhar, Swapna R. and Bhosle, S. V. and Rawal, S. K.} } @article { ISI: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 {42591, title = {Self-organization-induced three-dimensional honeycomb pattern in structure-controlled bulky methacrylate polymers:}, journal = {Journal of Physical Chemistry B}, volume = {110}, year = {2006}, month = {OCT}, pages = {21450{\textendash}21459}, type = {Article}, abstract = {

Here we report, for the first time, a novel molecular design for three-dimensional honeycomb structures through a self-organization of hydrogen-bonded bulky anchoring group in a methacrylic polymer backbone. The polymerizable monomer design includes a methacrylic double bond linked to various hydrophobic anchoring units such as ethane, n-decane, tricyclodecane (TCD), and adamantane via a hydrogen-bonded cycloaliphatic urethane linkage. The structures of the polymers were confirmed by nuclear magnetic resonance (NMR) and the molecular weights of the polymer were determined by gel permeation chromatography (GPC). The methacrylate polymers having tricyclodecane and adamantane bulky anchoring groups self-organized to produce three-dimensional honeycomb patterns in tetrahydrofuran-water solvent mixture at ambient conditions, whereas its linear analogues (ethane, n-decane) failed to produce any micropattern. The scanning electron microscopy (SEM) analysis of the above-prepared polymer films revealed that the structure of the polymer played a major role in the formation of the honeycomb patterns. The solution Fourier transform infrared (FTIR) measurements confirmed that the bulky tricyclodecane and adamantane polymers have strong hydrogen-bonding interaction compared to that of their linear analogues, which is the driving force for the micropatterns. Transmission electron microscopy (TEM) and atomic force microscopy (AFM) analysis of the bulky polymers revealed that the polymers exist as vesicles or micelles in the solution, which leads to the formation of the honeycomb pattern. The honeycomb pattern formation in the bulky polymer systems suggests that two cooperative factors such as hydrogen-bonding interaction and hydrophobicity of bulky anchoring units are necessary to induce three-dimensional honeycomb structures. To investigate the effect of molecular weights and its distribution on the self-organization process, both benzoyl peroxide (BPO) initiated free radical and atom transfer radical polymerization (ATRP) techniques were employed for the polymerization. Micropores formed irrespective of differences in molecular weight and polydispersity index (PDI); however, the pore size distribution was influenced by both molecular weights and PDI. Low molecular weight samples afforded polydisperse pores with the ATRP samples with more narrow PDI producing pores with large dimensions. The approach has also been investigated for polystyrene-bulky methacrylic copolymer, and the results revealed that uniform honeycomb patterns were produced for copolymers having more than 50 mol \% incorporation of bulky units.

}, doi = {10.1021/jp063469a}, author = {Deepak, V. D. and Asha, S. K.} } @article { ISI:000238502400034, title = {Shape selective synthesis of long-chain linear alkyl benzene (LAB) with AIMCM-41/beta zeolite composite catalyst}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {253}, number = {1-2}, year = {2006}, month = {JUL}, pages = {239-244}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

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

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

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

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

}, keywords = {deprotection, Microwave, stannous chloride, tert-butyldimethylsilyl ethers}, isbn = {978-981-270-379-8}, issn = {0376-4699}, doi = {10.1016/j.bej.2005.08.002}, author = {Desai, Kiran M. and Badhe, Yogesh P. and Tambe, S. S. and Kulkarni, B. D.} } @article { ISI:000241414500049, title = {Structural and functional analysis of a conjugated bile salt hydrolase from Bifidobacterium longum reveals an evolutionary relationship with penicillin V acylase}, journal = {Journal of Biological Chemistry}, volume = {281}, number = {43}, year = {2006}, month = {OCT}, pages = {32516-32525}, publisher = {AMER SOC BIOCHEMISTRY MOLECULAR BIOLOGY INC}, address = {9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3996 USA}, abstract = {

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

}, issn = {0021-9258}, doi = {10.1074/jbc.M604172200}, author = {Kumar, R. Suresh and Brannigan, James A. and Prabhune, Asmita and Pundle, Archana V. and Dodson, Guy G. and Dodson, Eleanor J. and Suresh, C. G.} } @article {31}, title = {Supramolecular self-assembled ruthenium-polypyridyl framework encapsulating discrete water cluster}, journal = {Crystal Growth \& Design}, volume = {6}, number = {3}, year = {2006}, month = {MAR}, pages = {743-748}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, keywords = {4, 4 {\textquoteleft}-dimethoxydiphenylmethane, benzylsulfonic acid, Condensation of anisole, p-formaldehyde, Zr-TMS-BSA}, issn = {1381-1169}, author = {Deshpande, Megha S. and Kumbhar, A. S. and Puranik, Vedavati G. and Selvaraj, K.} } @article { ISI:000237680000010, title = {Synthesis and characterization of copolyarylates using tin octoate as a catalyst}, journal = {Journal of Applied Polymer Science}, volume = {101}, number = {1}, year = {2006}, month = {JUL}, pages = {70-77}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

A series of copolyarylates of bisphenol A (BPA) with varying ratios of diphenyl terephthalate (DPT) and diphenyl isophthalate (DPI) were prepared by melt polymerization at a temperature ranging from 200 to 290 degrees C under reduced pressure in the presence of tin octoate catalyst. Tin octoate catalyst has been extensively used for the preparation of biodegradable polymers namely, poly(lactic acid), poly(glycolic acid), and poly(lactide-glycolide) copolyesters. However, there are no reports on the preparation of copolyesters by melt polymerization using tin octoate catalyst. The effect of tin octoate catalyst was studied on the preparation of BPA/DPT/DPI copolyarylates. The copolyarylates were characterized by infrared and H-1 NMR spectroscopy, solution viscosity, thermogravimetric analysis, differential scanning calorimetry, and X-ray diffraction. The solution viscosities of copolyarylates were varied from 0.43 to 0.56 dL/g and the glass transition temperature (T-g) of copolyarylates was varied from 155 to 222 degrees C by varying the ratio of DPT and DPI. Most of the copolyarylates were found to be soluble in commonly used organic solvents and had film-forming properties. (c) 2006 Wiley Periodicals, Inc.

}, keywords = {copolyarylates, diphenyl isophthalate, diphenyl terephthalate, melt polymerization, tin octoate}, issn = {0021-8995}, doi = {10.1002/app.22953}, author = {Waghmare, P. B. and Pathak, P. and Deshmukh, S. A. and Idage, Susheela B. and Idage, Bhaskar B.} } @article { ISI:000238709700070, title = {Synthesis and characterization of siloxane copolyesters containing phenylindane linkages}, journal = {Journal of Applied Polymer Science}, volume = {101}, number = {4}, year = {2006}, month = {AUG}, pages = {2668-2674}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

A novel series of siloxane copolyesters containing 1,1,3-trimethyl-3-(p-hydroxyphenyl)-5-indanol (phenylindane bisphenol), diphenyl terephthalate (DPT), diphenyl isophthalate (DPI), and eugenol end-capped siloxanes in varying ratios were prepared at a temperature range of 200-290 degrees C under reduced pressure using dibutyl tin dilaurate catalyst by melt polycondensation. The siloxane-containing copolyesters were characterized by infrared and H-1 NMR spectroscopy, elemental analysis, solution viscosity, thermogravimetric analysis, differential scanning calorimetry, and X-ray diffraction. The effect of incorporation of siloxane moiety was studied on the properties of phenyl indane/DPT/DPI coplyester. The glass transition temperatures of copolyesters were decreased from 235 to 124 degrees C by incorporation of 10\% eugenol end-capped siloxane without affecting the thermal properties. All copolyesters were found to be soluble in commonly used organic solvents and had film forming properties. (c) 2006 Wiley Periodicals, Inc.

}, keywords = {eugenol end capped siloxane, melt polymerization, phenylindane bisphenol, siloxane copolyesters}, issn = {0021-8995}, doi = {10.1002/app.23910}, author = {Waghmare, P. B. and Deshmukh, S. A. and Idage, Susheela B. and Idage, Bhaskar B.} } @article { ISI:000239340200010, title = {Synthesis, characterization and optical properties of silver and gold nanowires embedded in mesoporous MCM-41}, journal = {Central European Journal of Chemistry}, volume = {4}, number = {2}, year = {2006}, month = {JUN}, pages = {317-328}, publisher = {SPRINGER HEIDELBERG}, type = {Article}, address = {TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY}, abstract = {

Uniform nanowires of silver and gold inside the channels of MCM-41 were prepared by controlled reduction of their respective metal salts with sodium borohydride (NaBH4). Presence of nanowires of silver and gold in MCM-41 were confirmed by high angle X-ray diffraction (XRD) data (peaks between 2 theta = 30 - 60 degrees) and transmission electron microscopy (TEM) confirmed the diameter of the nanowires. Diameter of nanowires is found to be similar to 2.8 nm which is coincident with channel diameter of MCM-41. Optical properties of these heterostructured materials Ag-MCM-41 and Au-MCM-41 reveals the presence of surface plasmon absorption peaks of silver and gold respectively, and the shift in the absorption bands are associated to agglomeration of clusters inside the channels. Room temperature photoluminescence spectra exhibits interesting optical properties as observed for direct band gap semiconductors. Non-linear optical properties (NLO) corresponding to second harmonic generation (SHG) values were also recorded for self supported films of these heterostructured materials. Enhanced optical non-linearity was found to be arising from a corresponding increase of local field near the surface plasmon resonance. Further enhancement in SHG was found with poling due to an induction of orientation order. (C) Versita Warsaw and Springer-Verlag Berlin Heidelberg. All rights reserved.

}, keywords = {Ag/Au nanowires, MCM-41, photoluminescence, SHG, TEM}, issn = {1895-1066}, doi = {10.2478/s11532-006-0006-4}, author = {Adhyapak, Parag V. and Karandikar, Prashant R. and Dadge, Jagdish W. and Aiyer, Rohini C. and Chandwadkar, Asha J.} } @article {Bender, title = {Synthesis, characterization, X-ray structure and DNA photocleavage by cis-dichloro bis(diimine) Co(III) complexes}, journal = {Journal of Inorganic Biochemistry}, volume = {100}, number = {3}, year = {2006}, month = {MAR}, pages = {331-343}, publisher = {JOHN WILEY \& SONS LTD}, type = {Article}, address = {THE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W SUSSEX, ENGLAND}, keywords = {Acetic acid, acrylic acid, oxidative conversion of propane, rare earth-doped Mo-V-Sb catalysts}, issn = {0268-2575}, doi = {10.1016/j.jinorgbio.2005.11.022}, author = {Ghosh, Smita and Barve, A. C. and Kumbhar, A. A. and Kumbhar, A. S. and Puranik, Vedavati G. and Datar, P. A. and Sonawane, U. B. and Joshi, Rohini R.} } @article { ISI:000242958500011, title = {Synthesis of cadmium selenide thin films at low-temperature by simple chemical route and their characterization}, journal = {Journal of Physics and Chemistry of Solids}, volume = {67}, number = {12}, year = {2006}, month = {DEC}, pages = {2506-2511}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {XRD}, issn = {0022-3697}, doi = {10.1016/j.jpes.2006.07.006}, author = {Hankare, P. P. and Delekar, S. D. and Asabe, M. R. and Chate, P. A. and Bhuse, V. M. and Khomane, A. S. and Garadkar, K. M. and Sarwade, B. D.} } @article {43213, title = {Synthesis of cyclic peptides using a palladium-catalyzed enyne cycloisomerization}, journal = {Tetrahedron Letters}, volume = {47}, year = {2006}, month = {MAY}, pages = {3569-3571}, abstract = {In this letter, we report a palladium-catalyzed enyne cycloisomerization of linear peptides to generate small cyclic peptides embedded with a conjugated 1,3-diene. The utility of these resulting macrocyclic dienes is demonstrated by carrying out [4+2] cycloadditions with dienophiles to generate constrained cyclic peptides with cyclic linkers. (c) 2006 Elsevier Ltd. All rights reserved.}, doi = {10.1016/j.tetlet.2006.03.053}, author = {Balraju, V. and Dev, R. Vasu and Reddy, D. Srinivasa and Iqbal, Javed} } @article { ISI:000236922600018, title = {Synthesis of star shaped Ba1-xSrTiO3 (BST) powders}, journal = {Materials Chemistry and Physics}, volume = {97}, number = {2-3}, year = {2006}, month = {JUN}, pages = {295-300}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Uniform star shaped strontium substituted barium titanyl oxalate Ba1-xSrxTiO(C2O4)(2) (BSTO)/strontium substituted barium titanate, Ba1-xSrxTiO3 (BST) powders were prepared via a simple chemical co-precipitation route with x = 0.15, 0.20, and 0.25. The process involved an addition of 0.1 M solution of titanium tetrabutoxide (BTM) in isopropanol (IPA) to 0.1 M oxalic acid in IPA containing 0.2 M of H2O to produce titanyl oxalate precipitate which was further reacted with 0.1 M solution of ammonium oxalate to obtain 0.1 M clear homogeneous solution of ammonium titanyl oxalate (ATO) with pH 4.25 containing titanium in the form of soluble anionic oxalate species [TiO(C2O4)(2)(2-)]. Stoichiometric quantities of barium hydroxide and strontium nitrate were dissolved in distilled water and its pH was adjusted nearly equal to that of ATO (similar to 4.15) by drop wise addition of dilute HNO3 solution 1:10 (v/v). The addition of this mixed cation precursor solution to ATO solution resulted in precipitation of strontium substituted barium titanyl oxalate (BSTO) having star shaped morphology. The calcination of BSTO precursors at 730 degrees C for 4 h in air produced cubic BST powders (a(o) similar to 4.001, 3.996 and 3.991 angstrom for x = 0. 15, 0.20, 0.25, respectively) having star shaped morphology. SEM, XRD and IFTIR techniques were used to characterize the BSTO/BST powders. (c) 2005 Elsevier B.V. All rights reserved.

}, keywords = {barium-strontium titanate, barium-strontium titanyl oxalate, capping agent, Co-precipitation, Morphology}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2005.08.013}, author = {Khollam, Y. B. and Potdar, H. S. and Deshpande, S. B. and Gaikwad, A. B.} } @article { ISI:000239884300028, title = {Theoretical study of N2O reduction by CO in Fe-BEA zeolite}, journal = {Chemphyschem}, volume = {7}, number = {8}, year = {2006}, month = {AUG}, pages = {1795-1801}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {

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

}, keywords = {Density functional calculations, iron, nitrogen oxides, reaction mechanisms, zeolites}, issn = {1439-4235}, doi = {10.1002/cphc.200600228}, author = {Fischer, Gerd and Goursot, Annick and Coq, Bernard and Delahay, Gerard and Pal, Sourav} } @article { ISI:000241996500012, title = {Vapour phase methylation of phenol over nanocrystalline ZnFe(2-x)A1(x)O(4) (x=0, 0.25, 0.5, 0.75 and 1.0) ferrospinel system}, journal = {Indian Journal of Chemical Technology}, volume = {13}, number = {5}, year = {2006}, month = {SEP}, pages = {493-498}, publisher = {NATL INST SCIENCE COMMUNICATION}, type = {Article}, address = {DR K S KRISHNAN MARG, NEW DELHI 110 012, INDIA}, abstract = {

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

}, keywords = {consecutive methylation, ferrospinels, vertical and horizontal adsorption}, issn = {0971-457X}, author = {Reddy, Vanga S. and RadheShyam, A. and Dwivedi, Reena and Rai, A. and Anilkumar, Mettu and Chumbhale, Vilas R. and Aswar, A. S. and Prasad, R.} } @article { ISI:000243169700040, title = {Vishnu Ganesh Bhide (1940-2006)}, journal = {Current Science}, volume = {91}, number = {11}, year = {2006}, month = {DEC}, pages = {1574-1575}, publisher = {CURRENT SCIENCE ASSN}, type = {Bibliographical-Item}, address = {C V RAMAN AVENUE, PO BOX 8005, BANGALORE 560 080, INDIA}, issn = {0011-3891}, author = {Ogale, Satish and Date, Sadgopal K.} } @article { ISI:000249453100008, title = {4-Formylazetidin-2-one as a useful building block for the formal synthesis of xylo-(2S,3R,4R)-phytosphingosine and threo-(2S,3S)-sphingosine}, journal = {Synthesis-Stuttgart }, volume = {17}, number = {17}, year = {2007}, month = {SEP}, pages = {2631-2636}, publisher = {GEORG THIEME VERLAG KG}, type = {Article}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

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

}, keywords = {azetidin-2-one, beta-lactam, Grignard reaction, Phytosphingosine, Sphingosine}, issn = {0039-7881}, doi = {10.1055/s-2007-983815}, author = {Kale, Ajaykumar S. and Sakle, Prathmesh S. and Gumaste, Vikas K. and Deshmukh, Abdul Rakeeb A. S.} } @article { ISI:000247306400010, title = {Anhydrous magnesium sulfate mediated solvent-free synthesis of dihydropyrimidin-2(1H)-ones at ambient temperature}, journal = {Australian Journal of Chemistry}, volume = {60}, number = {6}, year = {2007}, month = {JUN}, pages = {435-438}, publisher = {CSIRO PUBLISHING}, type = {Article}, address = {150 OXFORD ST, PO BOX 1139, COLLINGWOOD, VICTORIA 3066, AUSTRALIA}, abstract = {

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

}, issn = {0004-9425}, doi = {10.1071/CH07097}, author = {Pore, D. M. and Desai, Uday V. and Thopate, T. S. and Wadgaonkar, P. P.} } @article { ISI:000245984200011, title = {Bile salt hydrolase, the member of Ntn-hydrolase family: differential modes of structural and functional transitions during denaturation}, journal = {IUBMB Life}, volume = {59}, number = {2}, year = {2007}, month = {FEB}, pages = {118-125}, publisher = {TAYLOR \& FRANCIS INC}, type = {Article}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {

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

}, keywords = {Aggregation, Bile salt hydrolase, molten-globule, Unfolding}, issn = {1521-6543}, doi = {10.1080/15216540701245014}, author = {Kumar, R. Suresh and Suresh, C. G. and Brannigan, James A. and Dodson, Guy G. and Gaikwad, Sushama M.} } @article { ISI:000244404400002, title = {Characterization of the proteins of bacterial strain isolated from contaminated site involved in heavy metal resistance - a proteomic approach}, journal = {Journal of Biotechnology}, volume = {128}, number = {3}, year = {2007}, month = {FEB}, pages = {444-451}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {2D PAGE, heavy metal toxicity, Mass spectrometry}, issn = {0168-1656}, doi = {10.1016/j.jbiotec.2006.11.010}, author = {Bar, Chinmayee and Patil, Rajendra and Doshi, Jignesh and Kulkarni, Mahesh J. and Gade, Wasudeo N.} } @article { ISI:000250698400015, title = {Cholesterol-linked beta-cyclodextrin - a thermotropic liquid-crystalline derivative}, journal = {Bulletin of the Chemical Society of Japan }, volume = {80}, number = {10}, year = {2007}, month = {OCT}, pages = {1975-1980}, publisher = {CHEMICAL SOC JAPAN}, type = {Article}, address = {1-5 KANDA-SURUGADAI CHIYODA-KU, TOKYO, 101-8307, JAPAN}, abstract = {

Liquid-crystalline derivative of ss-cyclodextrin (BCD) was prepared by covalent linking of monocholesteryl succinate (ChMS) with ss-cyclodextrin. To the best of our knowledge, this was first ever attempt so far of its kind, in which BCD has been converted into its liquid-crystalline derivative through covalent linkage of a mesogen. The degree of substitution (DS) obtained was approximate to 2.00. The product was characterized by various techniques, such as FT-IR, NMR, DSC, hot-stage-coupled optical polarizing microscopy (OPM), microanalysis and chemical methods. Cholesterol-linked ss-cyclodextrin (CDCh) derivative was found to exhibit thermotropic liquid-crystalline behavior. The product exhibited birefringence during first heating above 130 degrees C, and it became isotropic at about 180 degrees C, whereas the parent compound BCD decomposed without melting above 250 degrees C. A comparison of CDCh derivative to similar liquid-crystalline polysaccharide derivatives is presented.

}, issn = {0009-2673}, doi = {10.1246/bcsj.80.1975}, author = {Shaikh, Vasi Ahmed Ebrahim and Lonikar, Shrikant Vitthal and Dhoble, Deepa Arun and Pawar, G. M.} } @article { ISI:000245141300021, title = {Controlled synthesis of low-molecular-weight polyethylene waxes by titanium-biphenolate-ethylaluminum sesquichloride based catalyst systems}, journal = {Journal of Applied Polymer Science}, volume = {104}, number = {3}, year = {2007}, month = {MAY}, pages = {1531-1539}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

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

}, keywords = {Catalysts, polyethylene (PE), synthesis, Ziegler-Natta polymerization}, issn = {0021-8995}, doi = {10.1002/app.25525}, author = {Umare, Prashant S. and Rao, Karumanchi and Tembe, Gopal L. and Dhoble, Deepa Arun and Trivedi, Bhavna} } @article { ISI:000247076200015, title = {Cross- and axial-peak intensities in 2D-SLF experiments based on cross-polarization - the role of the initial density matrix}, journal = {Journal of Magnetic Resonance}, volume = {185}, number = {2}, year = {2007}, month = {APR}, pages = {308-317}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

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

}, keywords = {cross polarization, oriented molecules, PISEMA, SLF}, issn = {1090-7807}, doi = {10.1016/j.jmr.2007.01.007}, author = {Das, Bibhuti B. and Ajithkumar, Thalasseril G. and Sinha, Neeraj and Opella, Stanley J. and Ramanathan, K. V.} } @article { ISI:000244983400014, title = {Cross-linking assessment after accelerated ageing of ethylene propylene diene monomer rubber}, journal = {Polymer Degradation and Stability }, volume = {92}, number = {3}, year = {2007}, month = {MAR}, pages = {457-463}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

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

}, keywords = {ageing, EPDM, Oxidation, thermal analysis, thermoporosimetry}, issn = {0141-3910}, doi = {10.1016/j.polymdegradstab.2006.11.013}, author = {Tomer, N. S. and Delor-Jestin, Florence and Singh, R. P. and Lacoste, Jacques} } @article { ISI:000246978800037, title = {DMFC at low air flow operation: study of parasitic hydrogen generation}, journal = {Electrochimica Acta}, volume = {52}, number = {19}, year = {2007}, month = {MAY}, pages = {6060-6067}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {DMFC, Efficiency, electrolytic hydrogen evolution, oxygen depletion, side-effects}, issn = {0013-4686}, doi = {10.1016/j.electacta.2007.03.067}, author = {Dohle, H. and Mergel, J. and Ghosh, P. C.} } @article { ISI: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:000252219700011, title = {Efficient and practical total synthesis of (+/-)-alpha-cuparenone}, journal = {Synthesis-Stuttgart }, number = {24}, year = {2007}, month = {DEC}, pages = {3827-3830}, publisher = {GEORG THIEME VERLAG KG}, type = {Article}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

A one-pot cyclopentannulation approach as the key step for the total synthesis of (+/-)-alpha-cuparenone is described.

}, keywords = {Alkylation, annulation, hydroboration-oxidation, reduction}, issn = {0039-7881}, doi = {10.1055/s-2007-990899}, author = {Chavan, Subhash P. and Dhawane, Abasaheb N. and Kalkote, Uttam R.} } @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:000249394900019, title = {Efficient synthesis of azetidine-2,3-diones from L-(+)-diethyl tartrate}, journal = {Synlett}, number = {14}, year = {2007}, month = {SEP}, pages = {2242-2246}, publisher = {GEORG THIEME VERLAG KG}, type = {Article}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

A convenient route to enantiopure azetidine-2,3-diones is described. The chiral ketene generated from commercially available L-(+)-diethyl tartrate on Staudinger cycloaddition with different imines gave spiro-beta-lactams in good yields. These spiro-beta-lactams were transformed into azetidine-2,3-diones in excellent yields in a two-step process.

}, keywords = {Cycloaddition, imines, lactams, spiro compounds, stereoselective synthesis}, issn = {0936-5214}, doi = {10.1055/s-2007-985563}, author = {Chincholkar, Pinak M. and Puranik, Vedavati G. and Deshmukh, Abdul Rakeeb A. S.} } @article {45}, title = {Enforcing periodic secondary structures in hybrid peptides: a novel hybrid foldamer containing periodic gamma-turn motifs}, journal = {Journal of Organic Chemistry}, volume = {72}, number = {2}, year = {2007}, month = {JAN}, pages = {636-639}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {

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

}, keywords = {ammonia-TPD, benzylation reaction, Ce-Al-MCM-41, Friedel-Crafts alkylation, pyridine-FrIR}, issn = {0935-9648}, doi = {10.1021/jo062032w}, author = {Baruah, Pranjal K. and Sreedevi, N. K. and Gonnade, Rajesh G. and Ravindranathan, Sapna and Damodaran, Krishnan and Hofmann, Hans-Joerg and Sanjayan, Gangadhar J.} } @article { ISI: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.} } @article { ISI:000245903300012, title = {Fabrication of MEMS composite-polymer gas sensor arrays for electronic nose}, journal = {Indian Journal of Pure \& Applied Physics}, volume = {45}, number = {4}, year = {2007}, note = {Indo-Chinese Workshop on Micro Electron Mechanical Systems (MEMS) and Related Technologies, Natl Phys Lab, New Delhi, INDIA, APR 05-07, 2006}, month = {APR}, pages = {321-325}, publisher = {NATL INST SCIENCE COMMUNICATION}, type = {Article, Proceeding Paper}, address = {DR K S KRISHNAN MARG, NEW DELHI 110 012, INDIA}, abstract = {

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

}, keywords = {composite polymer, conducting polymer, electronic nose, polymer gas sensor, selectivity, sensitivity, sensor array}, issn = {0019-5596}, author = {Pant, B. D. and Kutnar, Mahesh and Lakshmi, Subha and Arora, Anil and Prasad, Mahanth and Sharma, Akshdeep and Patel, Mohan and Radhakrishnan, S. and Dwivedi, V. K.} } @article { ISI:000243819800014, title = {Facile total synthesis of (+/-)-alpha-cuparenone employing diallylation and RCM as key steps}, journal = {Tetrahedron Letter}, volume = {48}, number = {6}, year = {2007}, month = {FEB}, pages = {965-966}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A short and concise total synthesis of alpha-cuparenone employing one-pot diallylation and RCM as the key steps is described. (c) 2006 Elsevier Ltd. All rights reserved.

}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2006.12.023}, author = {Chavan, Subhash P. and Dhawane, Abasaheb N. and Kalkote, Uttam R.} } @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:000245301300004, title = {Ferroelectric and ferromagnetic properties of (x)BaTiO3+(1-x)Ni0.94Co0.01Cu0.05Fe2O4 composite}, journal = {Journal of Physics D-Applied Physics}, volume = {40}, number = {7}, year = {2007}, month = {APR}, pages = {1864-1868}, publisher = {IOP PUBLISHING LTD}, type = {Article}, address = {DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND}, abstract = {

A group of elastically coupled ferroelectric and ferrite composites with the general formula (x) BaTiO3 + (1 - x) Ni0.94Co0.01Cu0.05Fe2O4 (where x = 0.85, 0.70 and 0.55) was prepared by the standard ceramic reaction method. The x-ray diffraction pattern of the composite reveals a spinel phase formation for the ferrite and perovskite phase formation for the ferroelectric phase without any other phase. The SEM micrographs were taken to determine the average grain size. The sintered composites exhibit typical hysteresis loops at room temperature. The effect of constituent phase variation on the hysteresis behaviour and the dielectric properties was examined. The parameters such as spontaneous polarization (P-s), breakdown voltage (E-b) and saturation magnetization (M-s) of the composites vary with the ferroelectric/ ferrite content. The temperature dependence of dielectric behaviour at a frequency of 1 kHz was also studied. With increasing content of BaTiO3, the dielectric constant increases and the Curie temperature decreases.

}, issn = {0022-3727}, doi = {10.1088/0022-3727/40/7/004}, author = {Devan, R. S. and Deshpande, S. B. and Chougule, B. K.} } @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:000243707700006, title = {General and efficient route to 3 {\textquoteleft}-deoxy-3 {\textquoteleft}-N-, S-, and C-substituted altropyranosyl thymines from 2{\textquoteright},3{\textquoteright}-O-anhydro-mannopyranosylthymine}, journal = {Tetrahedron}, volume = {63}, number = {3}, year = {2007}, month = {JAN}, pages = {602-608}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

An efficient route to 1-(2,3-O-anhydro-4,6-O-phenylmethylene{\textendash}D-mannopyranosyl) thymine from 1,2,4,6-tetra-O-acetyl-3-O-tosyl-beta-D-glucopyranose has been devised. This newly synthesized epoxide is opened up regioselectively at the C-3{\textquoteright}-position by N-, S-, and C-nucleophiles to afford a wide range of new 3-deoxy-3{\textquoteright}-substituted altropyranosyl thymines. (c) 2006 Published by Elsevier Ltd.

}, issn = {0040-4020}, doi = {10.1016/j.tet.2006.11.025}, author = {Deshpande, Sachin G. and Pathak, Tanmaya} } @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:000244902800037, title = {Improve polyethylene process control and product quality - using artificial intelligence-based sensors can improve costs}, journal = {Hydrocarbon Processing }, volume = {86}, number = {3}, year = {2007}, month = {MAR}, pages = {53+}, publisher = {GULF PUBL CO}, type = {Article}, address = {BOX 2608, HOUSTON, TX 77252-2608 USA}, issn = {0018-8190}, author = {Badhe, Yogesh P. and Lonari, J. and Tambe, S. S. and Kulkarni, B. D. and Valecha, N. K. and Deshmukh, S. V. and Ravichandran, S.} } @article { ISI:000244008300028, title = {Influence of surfactant on ZnO varistors}, journal = {Ceramics International}, volume = {33}, number = {2}, year = {2007}, month = {MAR}, pages = {289-291}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

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

}, keywords = {Chemical synthesis, Semiconductors, X-ray methods, ZnO}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2005.08.010}, author = {Dhage, S. R. and Navale, S. C. and Ravi, V.} } @article { ISI:000252474200009, title = {Low voltage varistor ceramics based on SnO2}, journal = {Bulletin of Materials Science}, volume = {30}, number = {6}, year = {2007}, month = {DEC}, pages = {583-586}, publisher = {SPRINGER}, type = {Article}, address = {233 SPRING STREET, NEW YORK, NY 10013 USA}, abstract = {

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

}, keywords = {Chemical synthesis, electronic materials, Microstructure, tin oxide, X-ray diffraction}, issn = {0250-4707}, doi = {10.1007/s12034-007-0092-8}, author = {Dhage, S. R. and Ravi, V. and Yang, O. B.} } @article { ISI:000248145900007, title = {MgBr2-mediated ionic Diels-Alder reaction of acetals of alpha,beta-unsaturated aldehydes and ketones with 1,3-dienes}, journal = {Synthetic Communications}, volume = {37}, number = {14}, year = {2007}, month = {JUL}, pages = {2337-2343}, publisher = {TAYLOR \& FRANCIS INC}, type = {Article}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {

A facile, mild, and efficient methodology for the ionic Diels-Alder reaction of acetals of alpha,beta-unsaturated ketones and aldehydes as dienophiles with various 1,3- dienes employing MgBr2 as the Lewis acid catalyst to furnish corresponding Diels-Alder adducts at ambient temperature is described.

}, keywords = {acetals, Catalysts, Diels-Alder reactions, dienes}, issn = {0039-7911}, doi = {10.1080/00397910701410814}, author = {Chavan, Subhash P. and Ethiraj, Krishna S. and Dantale, Shubhada W.} } @article { ISI:000244304100004, title = {Nuclease Stn alpha from Streptomyces thermonitrificans: characterization of the associated adenylic acid preferential ribonuclease activity}, journal = {Current Microbiology}, volume = {54}, number = {3}, year = {2007}, month = {MAR}, pages = {186-189}, publisher = {SPRINGER}, type = {Article}, address = {233 SPRING STREET, NEW YORK, NY 10013 USA}, abstract = {

Nuclease Stn alpha from Streptomyces thermonitrificans hydrolyses DNA and RNA at the rate of approximately 10:l. The optimum pH and temperature for RNA hydrolysis were 7.0 and 45 degrees C. The RNase activity of nuclease Stn alpha had neither an obligate requirement of metal ions nor was it activated in the presence of metal ions. The enzyme was inhibited by Zn2+, Mg2+, Co2+, and Ca2+; inorganic phosphate; pyrophosphate; NaCl; KCl; and metal chelators. It was stable at high concentrations of urea but susceptible to low concentrations of Sodium dodecyl sulfate and guanidine hydrochloride. The rates by which nuclease Stn alpha hydrolysed polyribonucleotides occurs in the order of poly A \>\> RNA \>\> poly U \> poly G \> poly C. The enzyme cleaved RNA to 3{\textquoteright} mononucleotides with preferential liberation of 3{\textquoteright}AMP, indicating it to be an adenylic acid preferential endonuclease.

}, issn = {0343-8651}, doi = {10.1007/s00284-006-0020-y}, author = {Deshmukh, Satej S.} } @article { ISI:000251908500042, title = {Pathway to copolymer collapse in dilute solution: uniform versus random distribution of comonomers}, journal = {Journal of Chemical Physics}, volume = {127}, number = {23}, year = {2007}, month = {DEC}, pages = {234901}, publisher = {AMER INST PHYSICS}, type = {Article}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {

Monte Carlo simulations show that copolymers with uniformly (or periodically) distributed sticky comonomers collapse {\textquoteleft}{\textquoteleft}cooperatively,{\textquoteright}{\textquoteright} abruptly forming a compact intermediate comprising a monomer shell surrounding a core of the aggregated comonomers. In comparison, random copolymers collapse through a relatively less-compact intermediate comprising a comonomer core surrounded by a fluffy monomer shell that densifies over a wide temperature range. This difference between the collapse pathways for random and uniform copolymers persists to higher chain lengths, where uniform copolymers tend to form multiple comonomer cores. In this paper, we describe the formation of such an intermediate state, and the subsequent collapse, by recognizing that these arise from the expected balance between comonomer aggregation enthalpy and loop formation entropy dictated by the chain microstructure. (c) 2007 American Institute of Physics.

}, issn = {0021-9606}, doi = {10.1063/1.2802296}, author = {Dasmahapatra, Ashok Kumar and Nanavati, Hemant and Kumaraswamy, Guruswamy} } @article {64}, title = {Polyethylene waxes: catalytic synthesis by ti-biphenolates}, journal = {Journal of Macromolecular Science Part A-Pure and Applied Chemistry}, volume = {44}, number = {7-9}, year = {2007}, month = {JUL}, pages = {977-987}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

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

}, keywords = {fibers, Nanoparticles, Self-assembly}, issn = {0021-9797}, author = {Umare, Prashant S. and Rao, Karumanchi and Tembe, Gopal L. and Dhoble, Deepa Arun and Trivedi, Bhavna} } @article { ISI:000246298900004, title = {Practical formal synthesis of D-(+)-biotin from 4-formylazetidin-2-one}, journal = {Synthesis-Stuttgart}, number = {8}, year = {2007}, month = {APR}, pages = {1159-1164}, publisher = {GEORG THIEME VERLAG KG}, type = {Article}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

A practical synthesis of (3S,6R)-1,3-dibenzyltetrahydro-1H-furo[3,4-d]imidazole-2,4-dione, an important intermediate in the synthesis of biotin, from 4-formyl-3-mesyloxyazetidin-2-one has been achieved. Acid-catalyzed azetidin-2-one ring opening followed by a one-pot conversion of diamine hydrochloride to a cyclic urea and hydroxymethylene to chloromethylene by triphosgene to obtain (4S,5R)-methyl-1,3-dibenzyl-5-chloromethyl-2-oxoimidazolidine-4-carboxyl ate is the key step in this synthesis.

}, keywords = {azetidin-2-one, beta-Lactams, cyclization, Lactone, reduction}, issn = {0039-7881}, doi = {10.1055/s-2007-965992}, author = {Kale, Ajaykumar S. and Puranik, Vedavati G. and Deshmukh, Abdul Rakeeb A. S.} } @article { ISI:000242960400016, title = {Rate enhancement in palladium catalyzed Heck reactions by Lewis acid promoters}, journal = {Catalysis Communications}, volume = {8}, number = {2}, year = {2007}, month = {FEB}, pages = {183-186}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Significant enhancement in the rate of Heck reactions has been achieved when catalytic amounts of Lewis acid (like FeCl(3)) promoters in the presence of trace amounts of water (\> 2000 ppm) are used along with Pd complex catalysts. Experiments with different aryl halides, bases as well as olefins have been carried out to demonstrate the role of Lewis acid promoters. The increase in the reaction rates is due to the weakening of Ar-X bond by the Lewis acid in the manner similar to Friedel-Crafts reaction. (c) 2006 Elsevier B.V. All rights reserved.

}, keywords = {Heck reaction, Lewis acid, Palladium, Promoters}, issn = {1566-7367}, doi = {10.1016/j.catcom.2006.05.043}, author = {Sud, Abhishek and Deshpande, Raj Madhukar and Chaudhari, Raghunath V.} } @article { ISI:000245142600008, title = {Rh(II)-catalyzed intramolecular N-H insertion of D-glucose-derived delta-amino alpha-diazo beta-ketoester: Synthesis of pyrrolidine iminosugars}, journal = {Synlett}, number = {4}, year = {2007}, month = {MAR}, pages = {559-562}, publisher = {GEORG THIEME VERLAG KG}, type = {Article}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

The rhodium acetate catalyzed reaction of D-glucose-derived delta-amino alpha-diazo beta-ketoester allows a stereoselective beta-facial intramolecular N-H insertion reaction that leads to formation of the bicyclic pyrrolidinone ring skeleton in high yield. The sugar-substituted pyrrolidinone thus obtained was elaborated to allow the synthesis of promising glycosidase inhibitors, namely, 2,5-dideoxy2,5-imino-L-glycero-alpha-D-galactoheptitol and 2,5-dideoxy-2,5-imino-D-galactitol.

}, keywords = {alkaloids, azasugars, carbohydrates, N-H insertion, Pyrrolidines, rhodium carbenoid}, issn = {0936-5214}, doi = {10.1055/s-2007-970743}, author = {Vyavahare, Vinod P. and Chattopadhyay, Subrata and Puranik, Vedavati G. and Dhavale, Dilip D.} } @article { ISI:000245500200046, title = {Scanning tunneling microscopy/spectroscopy on Au nanoparticles assembled using lauryl amine (LAM) and octadecane thiol (ODT)}, journal = {Applied Surface Science}, volume = {253}, number = {11}, year = {2007}, month = {MAR}, pages = {5109-5115}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

In this report, we demonstrate scanning tunneling microscopy and spectroscopy on thin filins of lauryl amine (LAM) and octadecane thiol (ODT) protected gold nanoparticles. We show that the zero current in the I-V curves (measure of Coulomb blockade (CB) of the nanoparticles) depends on the properties of the spacer molecule. In both the cases the gap voltage and the tunneling current at which the images are obtained are quite different which is further confirmed from the fitting performed based on the orthodox theory. The values for the capacitance and charging energy obtained from the fitting for ODT capped particles are comparable to the values obtained using spherical capacitor model. In contrast, values of these parameters were found to differ for LAM capped nanoparticles. While imaging, ODT capped nanoparticles were observed to drag along the scan direction leading to ordering of particles. Images of LAM capped gold nanoparticles show local ordering in self-assembly of particles although no evidence of large scale ordering in spatial Fourier transform was seen. These observations suggest that nanoparticles with larger CB would be intaged nonevasively in contrast to small CB systems for which tip induced effects will be dominant. In both the systems the current was found to rise faster than theoretical curves based on the orthodox theory suggesting that mechanism of charge transfer in this case may involve field emission rather than tunneling through a rectangular barrier. An attempt has been made to explain charge transfer based on Fowler-Nordheim (F-N) plots of the I-V curves. (c) 2006 Elsevier B.V All rights reserved.

}, keywords = {Nanostructures, scanning tunneling microscopy (STM)}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2006.11.038}, author = {Datar, Suwarna and Chaudhary, Minakshi V. and Sastry, Murali and Dharmadhikari, C. V.} } @article { ISI:000243365800018, title = {Simple and efficient synthesis of thysanone methyl ether}, journal = {Tetrahedron}, volume = {63}, number = {1}, year = {2007}, month = {JAN}, pages = {166-170}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {human pathogen, Michael addition, orsellinate derivative, semivioxanthin}, issn = {0040-4020}, doi = {10.1016/j.tet.2006.10.038}, author = {Bulbule, Vivek J. and Koranne, Priti S. and Deshpande, Vishnu H. and Borate, Hanumant B.} } @article { ISI:000244732800019, title = {Stereoselective synthesis of 3-alkylidene/alkylazetidin-2-ones from azetidin-2,3-diones}, journal = {Tetrahedron}, volume = {63}, number = {11}, year = {2007}, month = {MAR}, pages = {2524-2534}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {3-diones, azetidin-2, azetidin-2-ones, beta-lactam, Grignard reaction}, issn = {0040-4020}, doi = {10.1016/j.tet.2006.12.010}, author = {Tiwari, Dharmendra Kumar and Shaikh, Ashif Y. and Pavase, Laxmikant S. and Gumaste, Vikas K. and Deshmukh, Abdul Rakeeb A. S.} } @article { ISI:000252091800019, title = {Stereoselective synthesis of spiro-beta-lactams using D-(+)-glucose derived chiral pool: remarkable influence of the torquoelectronic effect}, journal = {Tetrahedron}, volume = {63}, number = {37}, year = {2007}, month = {SEP}, pages = {9179-9187}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Diastereoselective synthesis of spiro-beta-lactams via [2+2] cycloaddition reaction of imines and chiral ketenes is described. The chiral ketene was prepared from commercially available, inexpensive D-glucose. Although, theoretically four diastereomers are possible, the reaction yielded only two diastereomers stereoselectively in good to moderate yields. The stereochemical outcome of the reaction was in accordance with the torquoelectronic model. (c) 2007 Elsevier Ltd. All rights reserved.

}, keywords = {imines, ketenes, spiro-beta-lactams, Staudinger reaction, stereoselective synthesis}, issn = {0040-4020}, doi = {10.1016/j.tet.2007.06.073}, author = {Chincholkar, Pinak M. and Puranik, Vedavati G. and Deshmukh, A. R. A. S.} } @article { ISI:000248203200019, title = {Synthesis and evaluation of 1-deoxy-8-epi-castanospermine, 1-deoxy-8-hydroxymethyl castanospermine, and (6S,7S,8R,8aR)-8-amino-octahydroindolizine-6,7-diol}, journal = {Tetrahedron}, volume = {63}, number = {22}, year = {2007}, month = {MAY}, pages = {4756-4761}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A short, versatile, and enantioselective synthesis of 1-deoxy-8-epi-castanospermine (5), 1-deoxy-8-hydroxymethyl castanospermine (6), and (6S,7S,8R,8aR)-8-amino-octahydroindolizine-6,7-diol (7) is achieved from a common template 12. The key step utilized is PET provoked amine radical cyclization of 11 to 12 in excellent diastereoselectivity. The exocyclic double bond at C-8 of the template is functionalized to obtain 5-7 as exclusive diastereomers. 1-Deoxy-8-epi-castanospermine exhibited inhibition of alpha- and beta-galactosidase and beta-glucosidase. Compounds 6 and 7 were found to be weak inhibitors of beta-glucosidase. (C) 2007 Elsevier Ltd. All rights reserved.

}, keywords = {1-deoxy-8-epi-castanospermine, castanospermine, Glycosidase inhibitors}, issn = {0040-4020}, doi = {10.1016/j.tet.2007.03.085}, author = {Pandey, Ganesh and Dumbre, Shrinivas G. and Pal, Sujit and Khan, Mohammad Islam and Shabab, A.} } @article { ISI:000245634500005, title = {Synthesis and evaluation of 4/5-hydroxy-2,3-diaryl(substituted)-cyclopent-2-en-1-ones as cis-restricted analogues of combretastatin A-4 as novel anticancer agents}, journal = {Journal of Medicinal Chemistry}, volume = {50}, number = {8}, year = {2007}, month = {APR}, pages = {1744-1753}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

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

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

}, keywords = {Antifungal activity, antiproliferative activity, arylidenemalononitriles, arylquinoline carbonitrile, Michael addition}, issn = {0968-0896}, doi = {10.1016/j.bmc.2007.08.009}, author = {Gholap, Atul R. and Toti, Kiran S. and Shirazi, Fazal and Kumari, Ratna and Bhat, Manoj Kumar and Deshpande, Mukund V. and Srinivasan, Kumar V.} } @article { ISI:000250367600011, title = {Synthesis and glycosidase inhibitory studies of pentahydroxyindolizidines: D-Glucose-Derived aziridine-2-carboxylate approach}, journal = {European Journal of Organic Chemistry}, number = {29}, year = {2007}, month = {OCT}, pages = {4895-4901}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {

D-Glucose -derived aziridine-2-carboxylate I was converted into a-amino aldehyde 7, which, after Wittig olefination, asymmetric dihydroxylation, hydrogenation followed by LiAlH4 reduction, and N-Cbz protection, afforded two diastereomeric pyrrolidines 11a and 11b with sugar appendages. Removal of the 1,2-acetonide functionality in 11a/11b and reductive animation gave the pentahydroxyindolizidine alkaloids 6g and 6h, respectively, with (S) absolute configurations at the ring junctions. The glycosidase inhibitory activities of these compounds were studied.

}, keywords = {asymmetric dihydroxylation (AD), Iminosugars, indolizidine, N-methylmorpholine, N-oxide (NNIO)}, issn = {1434-193X}, doi = {10.1002/ejoc.200700461}, author = {Kumar, K. S. Ajish and Chaudhari, Vinod D. and Puranik, Vedavati G. and Dhavale, Dilip D.} } @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:000251014600008, title = {Synthesis, characterization and actuation behavior of polyaniline-coated electroactive paper actuators}, journal = {Polymer International}, volume = {56}, number = {12}, year = {2007}, month = {DEC}, pages = {1530-1536}, publisher = {JOHN WILEY \& SONS LTD}, type = {Article}, address = {THE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W SUSSEX, ENGLAND}, abstract = {

This investigation deals with the synthesis, characterization and actuation behavior of conductive polyaniline-coated electroactive paper actuators. The actuator is made by electrochemical deposition of conductive polyaniline on a cellulose paper. The aim of the investigation was to improve the bending displacement of electroactive paper actuators. The displacement outputs of the actuators show that a trilayer is better than a bilayer configuration. The nature of the dopant ion used in the electro-generation affects the performance. A change in humidity plays a vital role in actuation performance of the actuators. Comparing the performance of electroactive paper actuators with and without a conductive polyaniline coating, the coating improves the displacement output threefold. Finally, the actuation principle mechanism is addressed. (C) 2007 Society of Chemical Industry.

}, keywords = {bending actuator, conducting polymer, electroactive polymer (EAP), polyaniline}, issn = {0959-8103}, doi = {10.1002/pi.2297}, author = {Kim, Jaehwan and Yun, Sung-Ryul and Deshpande, S. D.} } @article { ISI:000250557100030, title = {Synthesis of 1-deoxy-1-hydroxymethyl- and 1-deoxy-1-epi-hydroxymethyl castanospermine as new potential immunomodulating agents}, journal = {Journal of Medicinal Chemsitry}, volume = {50}, number = {22}, year = {2007}, month = {NOV}, pages = {5519-5523}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Two new C-1 epimeric hydroxymethyl castanospermine congeners 2a and 2b, synthesized by stereocon trolled intramolecular double reductive amination Of D-glucose derived beta-keto ester as a key step, showed impressive immuno-potentiating property. The bioactivity was mediated through up-regulation of T-H1/T-H2 cytokine ratio. The finding suggested that immunmodulatory activity of polyhydroxylated indolizidine alkaloids can be tuned by minor structural/stereochemical alterations.

}, issn = {0022-2623}, doi = {10.1021/jm070660f}, author = {Vyavahare, Vinod P. and Chakraborty, Chaitali and Maity, Biswanath and Chattopadhyay, Subrata and Puranik, Vedavati G. and Dhavale, Dilip D.} } @article { ISI:000248175000038, title = {Synthesis of La0.7Sr0.3MnO3 at 800 degrees C using citrate gel method}, journal = {Ceramics International}, volume = {33}, number = {6}, year = {2007}, month = {AUG}, pages = {1129-1132}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

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

}, keywords = {Ceramics, Citrate gel method, CMR, Oxides}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2006.02.008}, author = {Ravi, V. and Kulkarni, S. D. and Samuel, V. and Kale, Sangeeta N. and Mona, J. and Rajgopal, R. and Daundkar, A. and Lahoti, P. S. and Joshi, Rakesh S.} } @article { ISI:000250026200021, title = {Synthesis of tinidazole by condensation-oxidation sequence using MoO3/SiO2 bifunctional catalyst}, journal = {Catalysis Communications}, volume = {8}, number = {10}, year = {2007}, month = {OCT}, pages = {1550-1555}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {antimicrobial drug, condensation, MoO3/SiO2, Oxidation, solid acid catalyst, tinidazole}, issn = {1566-7367}, doi = {10.1016/j.catcom.2007.01.001}, author = {Chandorkar, J. G. and Shubhangi B. Umbarkar and Rode, C. V. and Kotwal, V. B. and Dongare, Mohan K.} } @article {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:000247620500052, title = {Total synthesis of pulchellalactam via an RCM strategy}, journal = {Synthetic Communications}, volume = {37}, number = {7-9}, year = {2007}, month = {MAY}, pages = {1503-1510}, publisher = {TAYLOR \& FRANCIS INC}, type = {Article}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {

Total synthesis of (Z) pulchellalactam, a CD protein tyrosine phosphatase inhibitor, from commercially available methallyl chloride employing ring-closure metathesis (RCM) as a key step is described.

}, keywords = {alkaloid, Natural products, pulchellalactam, RCM, Total synthesis}, issn = {0039-7911}, doi = {10.1080/00397910701229131}, author = {Chavan, Subhash P. and Pathak, Ashok B. and Dhawane, Abasaheb N. and Kalkote, Uttam R.} } @article { ISI:000249949800021, title = {Transesterification of alpha-haloesters and beta-ketoesters over Mg-Al-hydrotalcites (HT)-like anionic clays}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {276}, number = {1-2}, year = {2007}, month = {OCT}, pages = {158-161}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {alpha-haloesters, beta-ketoesters, heterogeneous catalyst, Hydrotalcites, transesterification}, issn = {1381-1169}, doi = {10.1016/j.molcata.2007.07.006}, author = {Bulbule, Vivek J. and Borate, Hanumant B. and Munot, Yogesh S. and Deshpande, Vishnu H. and Sawargave, Sangmeshwer P. and Gaikwad, Abaji G.} } @article { ISI: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:000257271600057, title = {Bacterial synthesis of copper/copper oxide nanoparticles}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {8}, number = {6}, year = {2008}, month = {JUN}, pages = {3191-3196}, publisher = {AMER SCIENTIFIC PUBLISHERS}, type = {Article}, address = {26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USA}, abstract = {

A bacterial mediated synthesis of copper/copper oxide nanoparticle composite is reported. A Gram-negative bacterium belonging to the genus Serratia was isolated from the midgut of Stibara sp., an insect of the Cerambycidae family of beetles found in the Northwestern Ghats of India. This is a unique bacterium that is quite specific for the synthesis of copper oxide nanoparticles as several other strains isolated from the same insect and common Indian mosquitoes did not result in nanoparticle formation. By following the reaction systematically, we could delineate that the nanoparticle formation occurs intracellularly. However, the process results in the killing of bacterial cells. Subsequently the nanoparticles leak out as the cell wall disintegrates. The nanoparticles formed are thoroughly characterized by UV-Vis, TEM, XRD, XPS and FTIR studies.

}, keywords = {bacterial synthesis, Nanoparticles, TEM, XPS, XRD}, issn = {1533-4880}, doi = {10.1166/jnn.2008.095}, author = {Hasan, Syed Saif and Singh, Sanjay and Parikh, Rasesh Y. and Dharne, Mahesh S. and Patole, Milind S. and Bhagavatula L. V. Prasad and Shouche, Yogesh S.} } @article { ISI:000256073500012, title = {Bacterial synthesis of silicon/silica nanocomposites}, journal = {Journal of Materials Chemistry}, volume = {18}, number = {22}, year = {2008}, month = {APR}, pages = {2601-2606}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

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

}, issn = {0959-9428}, doi = {10.1039/b719528a}, author = {Singh, Sanjay and Bhatta, Umananda M. and Satyam, P. V. and Dhawan, Alok and Sastry, Murali and Bhagavatula L. V. Prasad} } @article { ISI:000262296200001, title = {Cellulose conversion under heterogeneous catalysis}, journal = {ChemSusChem}, volume = {1}, number = {12}, year = {2008}, month = {NOV}, pages = {969-975}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {

In view of current problems such as global warming, high oil prices, food crisis, stricter environmental laws, and other geopolitical scenarios surrounding the use of fossil feedstocks and edible resources, the efficient conversion of cellulose, a non-food biomass, into energy, fuels, and chemicals has received much attention. The application of heterogeneous catalysis could allow researchers to develop environmentally benign processes that lead to selective formation of value-added products from cellulose under relatively mild conditions. This Minireview gives insight into the importance of biomass utilization, the current status of cellulose conversion, and further transformation of the primary products obtained

}, keywords = {Biomass, cellulose, heterogeneous catalysis, supported catalysts}, issn = {1864-5631}, doi = {10.1002/cssc.200800129}, author = {Dhepe, Paresh Laxmikant and Fukuoka, Atsushi} } @article { ISI:000259799300016, title = {C-glycosides of dodecanoic acid: new capping/reducing agents for glyconanoparticle synthesis}, journal = {Tetrahedron Letters}, volume = {49}, number = {43}, year = {2008}, month = {OCT}, pages = {6227-6230}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {C-Glycosides, Cross metathesis, glyconanoparticles, Grubbs{\textquoteright} catalyst, silver nanoparticles}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2008.08.030}, author = {Ramana, C. V. and Durugkar, Kulbhushan A. and Puranik, Vedavati G. and Narute, Sachin B. and Bhagavatula L. V. Prasad} } @article { ISI:000253283700034, title = {Chemical inhomogeneity and mixed-state ferromagnetism in diluted magnetic semiconductor Co : TiO2}, journal = {Chemistry of Materials}, volume = {20}, number = {4}, year = {2008}, month = {FEB}, pages = {1344-1352}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

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

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

}, issn = {0897-4756}, doi = {10.1021/cm702118w}, author = {Bogle, Kashinath A. and Ghosh, Saurabh and Dhole, Sanjay D. and Bhoraskar, Vasant N. and Fu, Lian-feng and Chi, Miao-Fang and Browning, Nigel D. and Kundaliya, Darshan and Das, Gour P. and Ogale, Satishchandra B.} } @article { ISI:000259622100005, title = {Comparison of Metarhizium isolates for biocontrol of helicoverpa armigera (Lepidoptera : Noctuidae) in chickpea}, journal = {Biocontrol Science and Technology}, volume = {18}, number = {8}, year = {2008}, month = {FEB}, pages = {809-828}, publisher = {TAYLOR \& FRANCIS LTD}, type = {Article}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {

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

}, keywords = {appressorium formation, chitin deacetylase, chitinase, chitosanase, Helicoverpa armigera, Lipase, Metarhizium anisopliae, Protease}, issn = {0958-3157}, doi = {10.1080/09583150802366475}, author = {Kulkarni, Shuklangi A. and Ghormade, Vandana and Kulkarni, Girish and Kapoor, Manisha and Chavan, Santosh B. and Rajendran, Armugam and Patil, Sanjay K. and Shouche, Yogesh and Deshpande, Mukund V.} } @article { ISI:000256290100015, title = {Composites of polypropylene with layered Mg-silsesquioxanes show an unusual combination of properties}, journal = {Industrial \& Engineering Chemistry Research}, volume = {47}, number = {11}, year = {2008}, month = {JUN}, pages = {3891-3899}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

We report the synthesis of vinyl modified magnesium silsesqiuoxanes ({\textquoteright}{\textquoteright}vinyl clay{\textquoteright}{\textquoteright}), and the formation of their composites with isotactic polypropylene (iPP) by melt compounding. Vinyl clay is a layered compound with a layer thickness of approximately 1 nm. Vinyl clay does not exfoliate in iPP; rather, it disperses to form a network that exhibits a characteristic low frequency solid-like plateau in the elastic modulus in dynamic melt theological measurements. Strangely, vinyl clay also plasticizes iPP-there is a decrease in the high frequency complex viscosity. The decrease in the complex viscosity is higher at higher frequencies, suggesting the influence of slip at the iPP-vinyl clay interface. The combination of the low frequency elastic plateau and plasticization makes the vinyl clay composite significantly more shear thinning than the matrix iPP. In the solid state, vinyl clay-iPP composites exhibit increased tensile modulus (showing approximate to 50\% increase for a 5\% loading), but surprisingly, no corresponding decrease in the elongation at break. Thus, while microstructural characterization indicates that only a small fraction, if any, of the vinyl clay is exfoliafed, the enhancement in mechanical properties is similar to that observed for iPP-exfoliated montmonillonite nanocomposites. Our compounding protocol is unable to effectively disperse the clay in the iPP at clay loadings greater than about 7.5\%. Therefore, the low frequency plateau in the melt elastic modulus and the solid tensile modulus increase with clay loading until 7.5\% but exhibit a nonmonotonic decrease at higher clay loadings.

}, issn = {0888-5885}, doi = {10.1021/ie071658p}, author = {Kumaraswamy, Guruswamy and Deshmukh, Yogesh S. and Agrawal, Vikrant V. and Nisal, Anuya} } @article { ISI:000256536200010, title = {De novo shoot regeneration from root cultures of garcinia indica choiss}, journal = {Indian Journal of Experimental Biology}, volume = {46}, number = {6}, year = {2008}, month = {JUN}, pages = {482-486}, publisher = {NATL INST SCIENCE COMMUNICATION}, type = {Article}, address = {DR K S KRISHNAN MARG, NEW DELHI 110 012, INDIA}, abstract = {

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

}, keywords = {Garcinia indica, guttifereae, organogenesis, roots, shoots}, issn = {0019-5189}, author = {Deodhar, Swapna R. and Thengane, R. J. and Thengane, Shubhada Ratnakar} } @article { ISI:000253334800010, title = {Dimethyl sulfoxide pivaloyl chloride: a new reagent for oxidation of alcohols to carbonyls}, journal = {Synthetic Communications}, volume = {38}, number = {5}, year = {2008}, month = {FEB}, pages = {746-753}, publisher = {TAYLOR \& FRANCIS INC}, type = {Article}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {

An efficient procedure for conversion of alcohols to the corresponding carbonyl compounds, an alternative to the classical Swern oxidation, is described. Pivaloyl chloride is employed as a mild and inexpensive electrophile. A possible reaction mechanism is proposed.

}, keywords = {Alcohols, carbonyls, DMSO, pivaloyl chloride, Swern oxidation}, issn = {0039-7911}, doi = {10.1080/00397910701820343}, author = {Dubey, Abhishek and Kandula, Subba Rao V. and Kumar, Pradeep} } @article { ISI:000263917200017, title = {Dr. Y. S. Kulkarni (1910-2008) Obituary}, journal = {Indian Journal of Microbiology}, volume = {48}, number = {3}, year = {2008}, month = {SEP}, pages = {408}, publisher = {SPRINGER}, type = {Article}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, issn = {0046-8991}, doi = {10.1007/s12088-008-0050-1}, author = {Deshpande, Mukund V.} } @article { ISI:000259273200027, title = {Durability of crosslinked polydimethylsyloxanes: the case of composite insulators}, journal = {Science and Technology of Advanced Materials}, volume = {9}, number = {2}, year = {2008}, note = {International Conference on Magneto-Science, Hiroshima, JAPAN, NOV, 2007}, month = {JUN}, pages = {024406}, publisher = {NATL INST MATERIALS SCIENCE}, type = {Article}, address = {NATL INST MATERIALS SCIENCE, 1-2-1 SENGEN, TSUKUBA-CITY, IBARAKI, 305-0047, JAPAN}, abstract = {

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

}, keywords = {composite insulators, durability, PDMS, post-crosslinking, silicone}, issn = {1468-6996}, doi = {10.1088/0031-8949/9/2/024406}, author = {Delor-Jestin, Florence and Tomer, Namrata S. and Singh, Raj Pal and Lacoste, Jacques} } @article { ISI:000260283800018, title = {Effect of hydrodynamic cavitation on zooplankton: a tool for disinfection}, journal = {Biochemical Engineering Journal}, volume = {42}, number = {3}, year = {2008}, month = {DEC}, pages = {320-328}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

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

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

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

}, keywords = {appressorium formation, chitin deacetylase, chitinase, Helicoverpa armigera, in vitro sub-culturing, Lipase, Metarhizium anisopliae, Protease}, issn = {0958-3157}, doi = {10.1080/09583150801935650}, author = {Nahar, Pallavi B. and Kulkarni, Shuklangi A. and Kulye, Mahesh S. and Chavan, Santosh B. and Kulkarni, Girish and Rajendran, Armugham and Yadav, Priya D. and Shouche, Yogesh and Deshpande, Mukund V.} } @article { ISI: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:000260290500013, title = {Efficient synthesis of antifungal pyrimidines via palladium catalyzed Suzuki/Sonogashira cross-coupling reaction from Biginelli 3,4-dihydropyrimidin-2(1H)-ones}, journal = {Tetrahedron}, volume = {64}, number = {44}, year = {2008}, month = {OCT}, pages = {10214-10223}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {Antifungal activities, Biginelli compounds, chlorination, Oxidation, Pyrimidines, Suzuki coupling}, issn = {0040-4020}, doi = {10.1016/j.tet.2008.08.033}, author = {Gholap, Atul R. and Toti, Kiran S. and Shirazi, Fazal and Deshpande, Mukund V. and Srinivasan, Kumar V.} } @article { ISI:000259140200017, title = {Electric field induced, superhydrophobic to superhydrophilic switching in multiwalled carbon nanotube papers}, journal = {Nano Letters}, volume = {8}, number = {9}, year = {2008}, month = {SEP}, pages = {2693-2696}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Superhydrophobic multiwalled carbon nanotube bucky paper, fabricated after ozonolysis, shows fascinating electrowetting behavior, which could be remarkably tuned by changing key solution variables like the ionic strength, the nature of the electrolyte, and the pH of the water droplet. More significantly, the droplet behavior can be reversibly switched between superhydrophobic, Cassie-Baxter state to hydrophilic, Wenzel state by the application of an electric field, especially below a threshold value.

}, issn = {1530-6984}, doi = {10.1021/nl801012r}, author = {Kakade, Bhalchandra A. and Mehta, Rutvik and Durge, Apurva and Kulkarni, Sneha and Pillai, Vijayamohanan} } @article { ISI:000261896400061, title = {Enhanced conversion efficiency in dye-sensitized solar cells based on ZnO bifunctional nanoflowers loaded with gold nanoparticles}, journal = {Applied Physics Letters}, volume = {93}, number = {24}, year = {2008}, month = {DEC}, pages = {Article No. 243108}, 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 ZnO nanoflowers loaded with gold (Au) nanoparticles (NPs) are synthesized by a hydrothermal route using mixed precursors and controlled conditions. The dye-sensitized solar cells based on the ZnO nanoflowers with Au NPs show power conversion efficiency of 2.5\%, which is considerably higher than that of ZnO nanoflowers without Au NPs. Detailed characterizations are performed, presented, and discussed.

}, keywords = {crystal growth from solution, Gold, II-VI semiconductors, Nanocomposites, Nanoparticles, solar cells, wide band gap semiconductors, zinc compounds}, issn = {0003-6951}, doi = {10.1063/1.3049131}, author = {Dhas, Vivek V. and Muduli, Subas and Lee, Wonjoo and Han, Sung-Hwan and Ogale, Satishchandra B.} } @article { ISI:000259420300006, title = {Facile synthesis and gas sensing properties of nanotriangular tin oxide}, journal = {Materials Letters}, volume = {62}, number = {28}, year = {2008}, month = {NOV}, pages = {4328-4331}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {Nanomaterials, Oxides, Semiconductors, sensors}, issn = {0167-577X}, doi = {10.1016/j.matlet.2008.07.021}, author = {Deshmukh, Rupali G. and Badadhe, Satish S. and Vaishampayan, Mukta V. and Mulla, Imtiaz S.} } @article { ISI:000255692100010, title = {Fe-doped SnO(2) nanomaterial: a low temperature hydrogen sulfide gas sensor}, journal = {Materials Chemistry and Physics}, volume = {109}, number = {2-3}, year = {2008}, month = {JUN}, pages = {230-234}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

The effect of Fe-doping on the surface chemistry and gas-sensing properties of nanocrystalline tin oxide is analyzed. The pristine and Fe-doped SnO(2) are synthesized by the modified Pechini citrate route that produces around 40 and 18 nm sized nanoparticles, respectively. 1 at.\% Fe-doped SnO(2) shows significantly high selectivity towards hydrogen sulfide gas with capability to detect even 10 ppm of hydrogen sulfide at room temperature, with change of about one order of magnitude in the resistance within 5-15 s. In comparison, pristine SnO(2) shows negligible response towards H(2)S at room temperature. The ideal response and recovery of Fe-doped SnO(2) at low concentration of gas suggests Fe-doped SnO(2) nanomaterial as a potential low cost, low temperature H(2)S gas sensor. (C) 2007 Elsevier B.V. All rights reserved.

}, keywords = {Fe-doping, H(2)S, nanomaterial, Sensor, tin oxide}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2007.11.024}, author = {Vaishampayan, Mukta V. and Deshmukh, Rupah G. and Walke, Pravin and Mulla, Imtiaz S.} } @article { ISI:000258379300046, title = {Gas-sensing properties of zinc ferrite nanoparticles synthesized by the molten-salt route}, journal = {Journal of the American Ceramic Society}, volume = {91}, number = {8}, year = {2008}, month = {AUG}, pages = {2724-2726}, publisher = {BLACKWELL PUBLISHING}, type = {Article}, address = {9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND}, abstract = {

Zinc ferrite (ZnFe2O4) nanoparticles have been synthesized at 700 degrees C using sodium chloride as a growth inhibitor. Single-phase formation of spinel zinc ferrite having crystallite size in the range of 15-20 nm was observed by XRD and confirmed by TEM. In the present work, the gas-sensing properties of these zinc ferrite nanoparticles toward ethanol, LPG, H-2, NOx. SOx, and H2S have been studied. It was found that they exhibit excellent selective sensitivity toward 200 ppm of H2S at the operating temperature of 250 degrees C, and thus this nanosized ferrite is expected to be useful in an industrial application as a potential H2S gas sensor.

}, issn = {0002-7820}, doi = {10.1111/j.1551-2916.2008.02475.x}, author = {Darshane, Sonali L. and Deshmukh, Rupali G. and Suryavanshi, Shankar S. and Mulla, Imtiaz S.} } @conference { ISI:000257623000188, title = {Gelation of regenerated fibroin solution}, booktitle = {15th International Congress on Rheology/80th Annual Meeting of the Society-of-Rheology}, series = {AIP CONFERENCE PROCEEDINGS}, volume = {1027}, year = {2008}, note = {15th International Congress on Rheology/80th Annual Meeting of the Society-of-Rheology, Monterey, CA, AUG 03-08, 2008}, month = {AUG}, pages = {573-575}, publisher = {Amer Inst Physics, 2 Huntington Quadrangle, STE 1NO1, Melville, NY 11747-4501 USA}, organization = {Amer Inst Physics, 2 Huntington Quadrangle, STE 1NO1, Melville, NY 11747-4501 USA}, address = {Monterey, CA.}, abstract = {

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

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

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

}, keywords = {heteronuclear broadening, heteronuclear decoupling, homogeneous broadening, MQMAS, quadrupolar nuclei, Solid-state NMR, STMAS, TPPM}, issn = {0749-1581}, doi = {10.1002/mrc.2286}, author = {Ganapathy, Subramanian and Delevoye, L. and Arnoureux, J. P. and Madhu, Perunthiruthy K.} } @article { ISI:000252252400015, title = {Highly chemoselective catalytic system for hydrogenation of diketones to ketols: an environmentally benevolent system}, journal = {Catalysis Letters}, volume = {120}, number = {3-4}, year = {2008}, month = {JAN}, pages = {257-260}, publisher = {SPRINGER}, type = {Article}, address = {233 SPRING STREET, NEW YORK, NY 10013 USA}, abstract = {

Ru(Phen)(2)Cl-2 [Phen = Phenanthroline] anchored in organo-functionalized MCM-41 [Ru(Phen)(2)Cl-NH-MCM-41] efficiently catalyzes highly chemoselective hydrogenation of diketones to ketols (Sel. similar to 99\%) under environmentally benign tri-phasic (solid-liquid-liquid) reaction condition in aqueous medium.

}, keywords = {Chemoselective, dione, Hydrogenation, ketol, ruthenium phenanthroline, Water}, issn = {1011-372X}, doi = {10.1007/s10562-007-9278-3}, author = {Deshmukh, Amit A. and Kinage, Anil K. and Kumar, Rajiv} } @article { ISI:000254979800027, title = {Highly efficient and chemo selective catalyst system for the synthesis of blossom orange fragrance and flavoring compounds}, journal = {Catalysis Communications}, volume = {9}, number = {7}, year = {2008}, month = {APR}, pages = {1671-1675}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

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

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

}, keywords = {Atom transfer radical polymerization (ATRP), Catalysts, clay, selectivity, synthesis}, issn = {1022-1336}, doi = {10.1002/marc.200800240}, author = {Munirasu, Selvaraj and Deshpande, Ashwini and Baskaran, Durairaj} } @article { ISI:000256501000031, title = {Hydrogen bonding-directed metallosupramolecular structural motifs based on a peripheral urea fused bipyridine tecton}, journal = {Crystal Growth \& Design}, volume = {8}, number = {6}, year = {2008}, month = {JUN}, pages = {1952-1960}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The potential of bipyridine glycoluril (BPG), a urea fused bipyridine, tecton to form metal-organic frameworks (MOFs) has been explored by structural characterization of BPG and its complexes [Ru(phen)(BPG)(2)]Cl(2) (1) and [Ru(BPG)(3)]Cl(2) (2). The single crystal X-ray structure of BPG reveals that the inherent H-bond donor (N-H) and acceptor groups (C=O) exhibit a potential to generate diverse supramolecular motifs depending on the stoichiometry of tectons. The single crystal X-ray analysis of the secondary building units 1 and 2 provide evidence for this hydrogen-bonding capacity which results in supramolecular self-assembled metal-organic frameworks (MOF) via C-H center dot center dot center dot Cl, C-H.center dot center dot center dot O, N-H center dot center dot center dot Cl, and N-H center dot center dot center dot O interactions with a cluster of water molecules and chlorine anions surrounding secondary building units in I and channels encapsulating mixed water-dimethylsulfoxide clusters in 2.

}, issn = {1528-7483}, doi = {10.1021/cg8000015}, author = {Deshpande, Megha S. and Kumbhar, Avinash S. and Puranik, Vedavati G.} } @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:000256200500004, title = {Improved pulse schemes for separated local field spectroscopy for static and spinning samples}, journal = {Solid State Nuclear Magnetic Resonance}, volume = {33}, number = {3}, year = {2008}, month = {MAR}, pages = {57-63}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

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

}, keywords = {magic sandwich pulses, PISEMA, SLF}, issn = {0926-2040}, doi = {10.1016/j.ssnmr.2008.03.001}, author = {Das, Bibhuti B. and Ajithkumar, Thalasseril G. and Ramanathan, K. V.} } @article { ISI:000254648100007, title = {In situ synthesis of Pt nanoparticles in SBA-15 by encapsulating in modified template micelles: size restricted growth within the mesochannels}, journal = {Journal of Materials Chemistry}, volume = {18}, number = {15}, year = {2008}, month = {FEB}, pages = {1765-1770}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A truly in situ and simple method is developed for nanoparticle incorporation within the mesochannels of SBA-15 involving dispersion of metal precursors in surfactant-modified polymer micelles. The diffusion of the precursor within the micellar structure is aided by interaction with the cationic head group of the surfactant leading to a unique method to facilitate the formation of highly disperse, uniform nanoparticles molded by the walls of the mesochannels. The nanoparticle incorporated mesoporous material has a highly enhanced surface area and adsorption capabilities in comparison to its parent materials without any pore blockage which makes this method ideal for the preparation of nanocatalysts.

}, issn = {0959-9428}, doi = {10.1039/b717991j}, author = {Prashar, Atul K. and Hodgkins, Robert P. and Kumar, Rajiv and Devi, R. Nandini} } @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:000256116100044, title = {Influence of Pd doping on morphology and LPG response of SnO2}, journal = {Sensors and Actuators B-Chemical}, volume = {131}, number = {2}, year = {2008}, month = {MAY}, pages = {665-672}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

In the present study nanocrystalline pristine and Pd-doped SnO2 (Pd:SnO2) with various mol\% Pd have been synthesized by a modified Pechini citrate route. Transmission electron microscopy and X-ray powder diffraction studies were used to characterize the morphology, crystallinity, and structure of the SnO2 and Pd:SnO2. The response of the pristine SnO2 and Pd:SnO2 was studied towards different reducing gases. The 1.5 mol\% Pd doping showed an enhanced response of 75 and 95\% towards LPG at as low as 50 and 100 degrees C, respectively, which were quite large high value as compared with pristine SnO2 (38 and 35\% at 50 and 100 degrees C, respectively). Structural characterization revealed that Pd doping reduced the crystallite size of SnO2 and helps in the formation of distinct spherical nanospheres at a calcinations temperature of 500 degrees C. Thus the increase in LPG response can be correlated with the spherical morphology, a decrease in the crystallite size (11 nm) due to doping with Pd as compared with the pristine SnO2 (26 nm) and main role of Pd as a catalyst. (c) 2008 Elsevier B.V. All rights reserved.

}, keywords = {LPG sensor, nanospheres, palladium doping, tin oxide}, issn = {0925-4005}, doi = {10.1016/j.snb.2007.12.055}, author = {Vaishampayan, Mukta V. and Deshmukh, Rupali G. and Mulla, Imtiaz S.} } @article { ISI:000253515100019, title = {Inositol derived crown ethers: effect of auxiliary protecting groups and the relative orientation of crown ether oxygen atoms on their metal ion binding ability}, journal = {Tetrahedron}, volume = {64}, number = {9}, year = {2008}, month = {FEB}, pages = {2160-2171}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The binding constants of crown ethers prepared from tetra-O-substituted myo- and scyllo-inositol derivatives and 2-O-substituted myo- and scyllo-inositol-1,3,5-orthoformates, with metal picrates show that the O-substituents and the relative orientation of the crown ether oxygen atoms contribute significantly to the binding of crown ethers with metal ions. In particular, the binding efficiency of myo-inositol derived crown ethers to silver and potassium ions could be enhanced by introducing benzyl ethers in the inositol ring. Hence binding efficacy and selectivity of metal ions to inositol derived crown ethers can be tuned by varying substituents on the myo-inositol ring and/or the relative orientation of crown ether oxygen atoms. (C) 2007 Elsevier Ltd. All rights reserved.

}, keywords = {crown ether, Cyclitol, Inositol, ligand, metal complex, supramolecule}, issn = {0040-4020}, doi = {10.1016/j.tet.2007.12.034}, author = {Dixit, Shailesh S. and Shashidhar, Mysore S.} } @article {43246, title = {Introduction to the density matrix renormalization group ansatz in quantum chemistry}, journal = {Frontiers in Quantum Systems in Chemistry and Physics}, volume = {18}, year = {2008}, month = {JAN}, pages = {49-65}, type = {Proceedings Paper}, abstract = {The Density Matrix Renormalisation Group (DMRG) is an electronic structure method that has recently been applied to ab-initio quantum chemistry. Even at this early stage, it has enabled the solution of many problems that would previously have been intractable with any other method, in particular, multireference problems with very large active spaces. Historically, the DMRG was not originally formulated from a wavefunction perspective, but rather in a Renormalisation Group (RG) language. However, it is now realised that a wavefunction view of the DMRG provides a more convenient, and in some cases more powerful, paradigm. Here we provide an expository introduction to the DMRG ansatz in the context of quantum chemistry.}, author = {Chan, Garnet Kin-Lic and Dorando, Jonathan J. and Ghosh, Debashree and Hachmann, Johannes and Neuscamman, Eric and Wang, Haitao and Yanai, Takeshi} } @article { ISI:000257961500018, title = {Isolation and heterologous expression of PHA synthesising genes from Bacillus thuringiensis R1}, journal = {World Journal of Microbiology \& Biotechnology}, volume = {24}, number = {9}, year = {2008}, month = {SEP}, pages = {1769-1774}, publisher = {SPRINGER}, type = {Article}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

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

}, keywords = {aceto-acetyl-coA reductase, Bacillus thuringiensis R1, PHA synthase, polyhydroxyalkanoate}, issn = {0959-3993}, doi = {10.1007/s11274-008-9669-7}, author = {Desetty, Rohini D. and Mahajan, Vineet S. and Khan, Bashir Mohammad and Rawal, Shuban K.} } @article { ISI:000258195800007, title = {Low temperature synthesis of ZnSe nanoparticles}, journal = {Materials Letters}, volume = {62}, number = {23}, year = {2008}, month = {AUG}, pages = {3803-3805}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Synthesis of thioglycerol capped zinc selenide nanoparticles with a relatively narrow size distribution by a simple and inexpensive low temperature (similar to 80 degrees C) wet chemical method is reported here. Main advantage of this method is the use of non-toxic precursors. The size of the nanoparticles can be varied easily by changing the concentration of the capping agent. The extracted nanoparticles remain stable under normal atmospheric conditions and can be redispersed in suitable solvents. The sharp absorption features obtained in the UV-Visible absorption spectra reveal the formation of monodispersed ZnSe nanoparticles. The nanoparticles were characterized using X-ray photoelectron spectroscopy, X-ray diffraction, UV-Visible absorption spectroscopy, photoluminescence and transmission electron microscopy. (C) 2008 Elsevier B.V. All rights reserved.

}, keywords = {Luminescence, Nanomaterials, Semiconductor, X-ray techniques}, issn = {0167-577X}, doi = {10.1016/j.matlet.2008.04.082}, author = {Deshpande, Aparna and Singh, Shashi B. and Abyaneh, Majid Kazemian and Pasricha, Renu and Kulkarni, S. K.} } @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:000259602400109, title = {Manufacturing of tinidazole by recovering and recycling catalyst}, journal = {Asian Journal of Chemistry}, volume = {20}, number = {4}, year = {2008}, month = {APR}, pages = {3289-3291}, publisher = {ASIAN JOURNAL OF CHEMISTRY}, address = {11/100 RAJENDRA NAGAR, SECTOR 3,, SAHIBABAD 201 005, GHAZIABAD, INDIA}, abstract = {

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

}, keywords = {Recovery, tinidazole, tungstic acid}, issn = {0970-7077}, author = {Dongare, Mohan K. and Chandorkar, J. G. and Rode, C. V.} } @article { ISI:000256931600006, title = {Microwave studies on synthesis of biologically active chalcone derivatives}, journal = {Indian Journal of Chemistry Section B-Organic Chemistry Including Medicinal Chemistry}, volume = {47}, number = {6}, year = {2008}, month = {JUN}, pages = {927-931}, publisher = {COUNCIL SCIENTIFIC \& INDUSTRIAL RES}, address = {ANUSANDHAN BHAWAN, 2 RAFI MARG, NEW DELHI, 110001, INDIA}, abstract = {

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

}, keywords = {Antimicrobial activity, chalcones, Pyrazole}, issn = {0376-4699}, author = {Katade, Sushama and Phalgune, Usha and Biswas, Sujata and Wakharkar, Radhika and Deshpande, Nirmala} } @article { ISI:000256601200022, title = {Molecular genetic mapping of quantitative trait loci associated with loaf volume in hexaploid wheat (Triticum aestivum)}, journal = {Journal of Cereal Science}, volume = {47}, number = {3}, year = {2008}, month = {MAY}, pages = {587-598}, publisher = {ACADEMIC PRESS LTD ELSEVIER SCIENCE LTD}, type = {Article}, address = {24-28 OVAL RD, LONDON NW1 7DX, ENGLAND}, abstract = {

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

}, keywords = {breadmaking, loaf volume, QTL, SSR, wheat quality}, issn = {0733-5210}, doi = {10.1016/j.jcs.2007.07.003}, author = {Elangovan, M. and Rai, R. and Dholakia, Bhushan B. and Lagu, Meena D. and Tiwari, R. and Gupta, R. K. and Rao, V. S. and Roeder, M. S. and Gupta, V. S.} } @article { ISI:000258965100011, title = {Mossbauer spectroscopic investigations of nanophase iron oxides synthesized by thermal plasma route}, journal = {Materials Characterization}, volume = {59}, number = {9}, year = {2008}, month = {SEP}, pages = {1215-1220}, publisher = {ELSEVIER SCIENCE INC}, address = {360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA}, abstract = {

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

}, keywords = {iron oxides, Mossbauer spectroscopy, phase analysis, plasma synthesis}, issn = {1044-5803}, doi = {10.1016/j.matchar.2007.10.003}, author = {Nagar, Harshada and Kulkarni, Naveen V. and Karmakar, Soumen and Sahoo, B. and Banerjee, Indrani and Chaudhari, P. S. and Pasricha, R. and Das, A. K. and Bhoraskar, S. V. and Date, Sadgopal K. and Keune, W.} } @article {43318, title = {Multipoint anchoring of the [2.2.2.2]metacyclophane motif to a gold surface via self-assembly: coordination chemistry of a cyclic tetraisocyanide revisited}, journal = {Inorganic Chemistry}, volume = {47}, year = {2008}, month = {MAY}, pages = {3284-91}, abstract = {A one-pot transformation of bis(2-isocyano-3-methylphenyl)ethane affords gram quantities of 8,16,24,32-tetraisocyano[2.2.2.2]metacyclophane ( 3). The solid state structure of 3 is remarkably close to the lowest energy conformation found on the potential energy landscape for 3 by DFT. In solution, the structure of metacyclophane 3 is mobile but can be locked in a rectangular gauche- anti- gauche- anti conformation by coordination of the isocyanide substituents to the [W(CO) 5] units to give [M] 4(mu 4-eta (1):eta (1):eta (1):eta (1)- 3) ( 5). The tetranuclear [M] 4(mu 4-eta (1):eta (1):eta (1):eta (1)- 3) motif featured in crystallographically characterized 5 may be present in several insoluble complexes of 3 previously described as mononuclear eta (4) species. A self-assembled monolayer of metacyclophane 3 is formed upon exposing a solution of 3 to the gold(111) surface with no precautions to exclude air or light. The monolayer nature of the film was confirmed by optical ellipsometry. The isocyanide stretching band for 3 shifts from 2119 cm (-1) in solution to 2175 cm (-1) upon chemisorption to metallic gold. The FTIR spectrum of the film indicates interaction of 3 with the gold surface via all four of its isocyanide anchors. No gold-facilitated oxidation of the -NC junctions was detected under ambient conditions. The energy cost associated with accessing the conformations of 3 suitable for mu 4-eta (1):eta (1):eta (1):eta (1) interaction of the molecule with the Au(111) surface is under 8 kcal/mol, a value that can be easily offset by formation of a gold-isocyanide bond. Two different mu 4-eta (1):eta (1):eta (1):eta (1) coordination arrangements of 3 with respect to gold atoms on the (111) face of the fcc Au lattice are suggested.}, doi = {10.1021/ic702401b}, author = {Toriyama, Masaharu and Maher, Tiffany R. and Holovics, Thomas C. and Vanka, Kumar and Day, Victor W. and Berrie, Cindy L. and Thompson, Ward H. and Barybin, Mikhail V.} } @article {42584, title = {Nanowires of metal-organic complex by photocrystallization: a system to achieve addressable electrically bistable devices and memory elements}, journal = {Langmuir}, volume = {24}, year = {2008}, month = {MAY}, pages = {5937{\textendash}5941}, abstract = {

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

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

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

}, keywords = {Apoptosis, Cytotoxicity, drug delivery, Gold, Nanostructures, natural gums}, issn = {0947-6539}, doi = {10.1002/chem.200801093}, author = {Dhar, Sheetal and Reddy, E. Maheswara and Shiras, Anjali and Pokharkar, Varsha and Bhagavatula L. V. Prasad} } @article { ISI:000258370500015, title = {New approach towards imaging lambda-DNA using scanning tunneling microscopy/spectroscopy (STM/STS)}, journal = {Bulletin of Materials Science}, volume = {31}, number = {3}, year = {2008}, note = {National Review and Coordination Meeting on Nanoscience and Nanotechnology, Hyderabad, INDIA, 2007}, month = {JUN}, pages = {309-312}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

A new methodology to anchor A-DNA to silanized n-Si(111) surface using Langmuir Blodget trough was developed. The n-Si (111) was silanized by treating it with low molecular weight octyltrichlorosilane in toluene. Scanning tunneling microscopy (STM) image of lambda-DNA on octyltrichlorosilane deposited Si substrate shows areas exhibiting arrayed structures of 700 nm length and 40 nm spacing. Scanning tunneling spectroscopy (STS) at different stages depict a broad distribution of defect states in the bandgap region of n-Si(111) which presumably facilitates tunneling through otherwise insulating DNA layer.

}, keywords = {DNA, Langmuir Blodget technique, Scanning tunneling microscopy, silanization}, issn = {0250-4707}, doi = {10.1007/s12034-008-0049-6}, author = {Dey, Shirshendu and Pethkar, Sushama and Adyanthaya, Suguna D. and Sastry, Murali and Dharmadhikari, C. V.} } @article { ISI:000258370500013, title = {New route for preparation of luminescent mercaptoethanoate capped cadmium selenide quantum dots}, journal = {Bulletin of Materials Science}, volume = {31}, number = {3}, year = {2008}, note = {National Review and Coordination Meeting on Nanoscience and Nanotechnology, Hyderabad, INDIA, 2007}, month = {JUN}, pages = {291-296}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

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

}, keywords = {chalcogenides, Chemical synthesis, photoluminescence, semiconductor quantum dots}, issn = {0250-4707}, doi = {10.1007/s12034-008-0047-8}, author = {Wankhede, Manoj E. and Inamdar, Shaukatali N. and Deshpande, Aparna and Thete, Aniket R. and Pasricha, Renu and Kulkarni, Sulabha K. and Harani, Santosh K.} } @article {43210, title = {New route to eremophilanes: synthesis of (+/-)-eremophilenolide, (+/-)-eremophiledinone, and (+/-)-deoxyeremopetasidione}, journal = {Tetrahedron Letters}, volume = {49}, year = {2008}, month = {OCT}, pages = {6084-6086}, abstract = {A new and efficient route to the family of eremophilanes is reported. Key steps are the highly stereocontrolled Diels-Alder reaction and aldol condensation to furnish a cis-decalin system with the desired stereochemistry present in the eremophilane family of natural products. This approach is general and was utilized for the synthesis of (+/-)-eremophilenolide, (+/-)-eremophiledinone, and (+/-)-deoxyeremopetasidione. (C) 2008 Elsevier Ltd. All rights reserved.}, doi = {10.1016/j.tetlet.2008.08.006}, author = {Srinivas, P. and Reddy, D. Srinivasa and Kumar, K. Shiva and Dubey, P. K. and Iqbal, Javed and Das, Parthasarathi} } @article { ISI: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:000258683600017, title = {pK(a)-Directed host-guest assemblies: rational analysis of molecular adducts of 2,4-diamino-6-methyl-1,3,5-triazine with various aliphatic dicarboxylic acids}, journal = {Chemistry-A European Journal}, volume = {14}, number = {23}, year = {2008}, month = {JUL}, pages = {6967-6977}, publisher = {WILEY-V C H VERLAG GMBH}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {

Molecular adducts of 2,4-diamino-6-methyl-1,3,5-triazine (1) have been prepared with various aliphatic dicarboxylic acids. The molecular complexes (1a-1i) thus formed by co-crystallizing 1 with oxalic, malonic, succinic, fumaric, acetylene dicarboxylic, glutaric, thiodiglycolic, diglycolic, and adipic acids have been found to give two types of host-guest assemblies that have voids or channels in a three-dimensional arrangement. The different types of host-guest arrangement appear to result from differences in the acidity of the dicarboxylic acids, that is, acids with pK(a) \< 3.0 give host networks that consist of 1 and the corresponding acid with water or solvent molecules of crystallization present as guests, whereas acids with pK(a) \> 3.0 exist as guests in voids in a host network formed by 1. The former arrangement is observed in adducts 1a, 1b, 1c, and 1h and the latter arrangement is found in adducts 1c, 1d, 1f, 1g and 1i.

}, keywords = {dicarboxylic acids, host-guest systems, hydrogen bonds, molecular recognition, supramolecular chemistry}, issn = {0947-6539}, doi = {10.1002/chem.200800649}, author = {Delori, Amit and Suresh, Eringathodi and Pedireddi, V. R.} } @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:000251802900022, title = {Preparation and characterization of novel hybrid of chitosan-g-PDMS and sodium montmorrilonite}, journal = {Journal of Biomedical Materials Research Part B-Applied Biomaterials}, volume = {84}, number = {1}, year = {2008}, month = {JAN}, pages = {184-190}, publisher = {WILEY-LISS}, address = {DIV JOHN WILEY \& SONS INC, 111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

Preparation and properties of Chitosan (CS)-clay nanocomposites grafted with polydimethyl siloxane (PDMS) with different clay ratios are herein discussed. CS is intercalated into sodium montmorrilonite and PDMS is grafted onto CS under UV irradiation. Sample films of CS intercalated into clay and grafted with PDMS were prepared by solvent casting method with varying amount of nanoclay and PDMS. They were characterized by conventional techniques such as X-ray diffractometry, fourier transform infrared spectroscopy, C-13 NMR, thermo gravimetric analysis, and differential thermal analysis. Sorption behavior of samples has been followed by measuring swelling degree and issues on the interactions of biopolymers with clay are also discussed. The water absorption of composites films reduces with an increase in the amount of incorporated clay. This is due to the barrier formation in the form of cross-linking points, which prevents water permeation into CS. The amount of adsorbed water is more, when the amount of CS exceeds the amount of PDMS. This shows high water retention capacity of CS. (c) 2007 Wiley Periodicals, Inc.

}, keywords = {Chitosan, graft copolymerization, Nanocomposites, PDMS, water absorption}, issn = {1552-4973}, doi = {10.1002/jbm.b.30860}, author = {Depan, Dilip and Kumar, Bijandra and Singh, Raj Pal} } @article { ISI:000255612400002, title = {Preparation of ferroelectric CaBi(4)Ti(4)O(15) powders from novel hydroxide precursors}, journal = {Materials Letters}, volume = {62}, number = {12-13}, year = {2008}, month = {APR}, pages = {1751-1753}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {CaBi(4)Ti(4)O(15), Ceramics, Chemical synthesis, Electron microscopy, Oxides, X-ray methods}, issn = {0167-577X}, doi = {10.1016/j.matlet.2007.09.080}, author = {Deshmukh, Rupali G. and Vaishampayan, Mukta V. and Darshane, Sonali L. and Mulla, Imtiaz S. and Gaikwad, A. B. and Rao, N. Kotaserwara and Ravi, V.} } @article { ISI:000253014400014, title = {Protection of oligo deoxynucleotides against nuclease degradation through association with self-assembling peptides}, journal = {Biomaterials}, volume = {29}, number = {8}, year = {2008}, month = {MAR}, pages = {1099-1108}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Aggregates of the self-assembling peptide EAK16II or EAK16IV and oligodeoxynucleotides (ODNs) were prepared, and their stability upon diluting the solution was investigated by UV-vis spectroscopy. The aggregates prepared at pH 4 and pH 7 did not dissociate after the solution was diluted 5- and 10-fold. The resistance against Escherichia coli exonuclease I of the ODN located in the EAK-ODN aggregates was studied by fluorescence resonance energy transfer (FRET) after the ODN had aggregated with EAK 16II or EAK 16IV at pH 4 or pH 7. The effect that the peptide sequence, peptide concentration, pH, and centrifugation had on protecting the aggregated ODN against nuclease degradation was investigated. Significant nuclease resistance was obtained after the EAK-ODN aggregates had been prepared at pH 4, with an EAK16IV concentration greater than a threshold value, and ensuring that the solution was not centrifuged immediately after sample preparation. Centrifuging the EAK16IV-ODN solution immediately after sample preparation resulted in the loss of this nuclease protection. However, if the solution of EAK-ODN aggregates was centrifuged 24h after sample preparation, the nuclease protection afforded by the EAK16IV-ODN aggregates to the ODN was maintained even after being subject to a 10-fold dilution and up to 4 rounds of centrifugation over 4 days. (c) 2007 Elsevier Ltd. All rights reserved.

}, keywords = {aggregate, centrifugation, Fluorescence resonance energy transfer (FRET), nuclease resistance, oligonucleotide, self-assembling peptide}, issn = {0142-9612}, doi = {10.1016/j.biomaterials.2007.10.049}, author = {Wang, M. and Adikane, H. V. and Duhamel, J. and Chen, P.} } @article {42593, title = {Random and AB diblock copolymers of tricyclodecanemethanol urethane methacrylate with styrene: synthesis and morphology characterization}, journal = {Journal of Polymer Science Part A: Polymer Chemistry}, volume = {46}, year = {2008}, month = {DEC}, pages = {1278{\textendash}1288}, abstract = {

A monomer design having a bulky terminal tricyclodecane (TCD) unit linked via hydrogen bondable urethane to an ethyleneoxy methacrylate unit, and capable of generating three-dimensional honeycomb patterns upon solvent casting has been investigated. Random copolymers as well as a diblock copolymer Poly(Sty42-b-TCD18) of this monomer with styrene were prepared by free-radical polymerization route and atom transfer radical polymerization (ATRP) route. Morphology characterization was carried out using scanning electron microscopy (SEM) and transmission electron microscopy (TEM) analysis. Particle size was measured by dynamic light scattering measurements (DLS). Irrespective of the wide differences in molecular weight and polydispersity index values, the random copolymers having TCD content \>30 mol \% were found to form microporous films upon solvent casting from a THF/water 9:1 solvent combination. The amount of TCD in the copolymer was found to have an influence on the pore size formed. The diblock copolymer formed microspheres \~{}200 nm in diameter. The thermal properties of all the polymers were studied using differential scanning calorimetry (DSC) and thermogravimetric analysis (TGA), and the copolymers were found to have good thermal stability. {\textcopyright} 2008 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 46: 1278{\textendash}1288, 2008

}, doi = {10.1002/pola.22469}, author = {Deepak, V. D. and Asha, S. K.} } @article { ISI:000259602400108, title = {Recovery of ammonical salts from mother liquid of 2-methyl-5-nitroimidazole}, journal = {Asian Journal of Chemistry}, volume = {20}, number = {4}, year = {2008}, month = {APR}, pages = {3287-3288}, publisher = {ASIAN JOURNAL OF CHEMISTRY}, address = {11/100 RAJENDRA NAGAR, SECTOR 3,, SAHIBABAD 201 005, GHAZIABAD, INDIA}, abstract = {

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

}, keywords = {2-methyl-5-nitroimidazole, ammonium nitrate, ammonium sulphate, Recovery}, issn = {0970-7077}, author = {Dongare, Mohan K. and Rode, C. V. and Chandorkar, J. G.} } @article { ISI:000256530800003, title = {SbCl(3) as a highly efficient catalyst for the acetylation of alcohols, phenols, and amines under solvent-free conditions}, journal = {Synthetic Communications}, volume = {38}, number = {10}, year = {2008}, month = {APR}, pages = {1518-1526}, publisher = {TAYLOR \& FRANCIS INC}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {

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

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

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

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

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

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

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

}, keywords = {aromatic amine, Homogenous catalyst, Hydrogen peroxide, Molybdenum complex, nitroso, Oxidation, Oxo-peroxo}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2008.04.005}, author = {Biradar, Ankush V. and Kotbagi, Trupti V. and Dongare, Mohan K. and Shubhangi B. Umbarkar} } @article { ISI:000252563300006, title = {Selective oxidation of ethane over Mo-V-Al-O oxide catalysts: insight to the factors affecting the selectivity of ethylene and acetic acid and structure-activity correlation studies}, journal = {Catalysis Letters}, volume = {121}, number = {1-2}, year = {2008}, month = {FEB}, pages = {39-51}, publisher = {SPRINGER}, address = {233 SPRING STREET, NEW YORK, NY 10013 USA}, abstract = {

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

}, keywords = {Acetic acid, ethane, Ethylene, mixed metal oxide, Selective oxidation}, issn = {1011-372X}, doi = {10.1007/s10562-007-9289-0}, author = {Sankaranarayanan, T. M. and Ingle, Rohit H. and Gaikwad, T. B. and Lokhande, S. K. and Raja, T. and Devi, R. N. and Ramaswamy, V. and Manikandan, Palanichamy} } @article { ISI: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.} } @article { ISI:000261163000013, title = {Structural elucidation of propargylated products of 3-substituted-1,2,4-triazole-5-thiols by NMR techniques}, journal = {Magnetic Resonance in Chemistry}, volume = {46}, number = {12}, year = {2008}, month = {DEC}, pages = {1168-1174}, publisher = {JOHN WILEY \& SONS LTD}, address = {THE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W SUSSEX, ENGLAND}, abstract = {

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

}, keywords = {(1)H NMR, (13)C NMR, (15)N NMR, 1, 2, 4-triazoles, HMBC, NMR, Regioisomers}, issn = {0749-1581}, doi = {10.1002/mrc.2307}, author = {Chaudhary, Preeti M. and Chavan, Sayalee R. and Kavitha, M. and Maybhate, Shailaja P. and Deshpande, Sunita R. and Likhite, Anjali P. and Rajamohanan, P. R.} } @article { ISI:000256004800004, title = {Studies on the synthesis and unusual behavior of vinyl sulfone-modified hexenopyranosylthymines}, journal = {Carbohydrate Research}, volume = {343}, number = {7}, year = {2008}, month = {MAY}, pages = {1163-1170}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Although vinyl sulfone-modified- (VSM) pent-2-enofuranosyl nucleosides 2 and hex-2-enopyranosyl glycoside 4 are easily synthesized from the corresponding mesylated sulfones le and 3c, respectively, via an oxidation-mesylation-elimination route, the 3{\textquoteright}-C-sulfonyl-hex-2{\textquoteright}-enopyranosylthymine 11 is not obtained from 10 and a glycal derivative 12 is formed instead. On the other hand, 3-C-sulfonyl-hex-3{\textquoteright}-enopyranosylthymine 20 is easily synthesized from the mesylated sulfone 19. Again unlike the reaction patterns of VSM-pent-T-enofuranosyl nucleosides 2 and hex-2-enopyranosyl glycosides 4 as Michael acceptors, the reactions of nucleophiles with 3{\textquoteright}-C-sulfonyl-hex-3{\textquoteright}-enopyranosylthymine 20 yielded a rearranged product 21 instead of Michael adducts. (c) 2008 Published by Elsevier Ltd.

}, keywords = {glycal, hexopyranosyl nucleosides, Michael addition, unsaturated nucleosides, vinyl sulfone-modified nucleosides}, issn = {0008-6215}, doi = {10.1016/j.carres.2008.02.016}, author = {Deshpande, Sachin G. and Suresh, Cheravakkattu G. and Pathak, Tanmaya} } @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:000256183700006, title = {Sulfamic acid: an efficient and cost-effective solid acid catalyst for the synthesis of alpha-aminophosphonates at ambient temperature}, journal = {Catalysis Communications}, volume = {9}, number = {9}, year = {2008}, month = {MAY}, pages = {1822-1826}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Sulfamic acid catalyzed solvent-free protocol has been developed for the synthesis of alpha-aminophosphonates by three component condensation between aldehydes, amines and diethyl phosphite at ambient temperature. (C) 2008 Elsevier B.V. All rights reserved.

}, keywords = {alpha-Aminophosphonates, diethylphosphite (DEP), solid acid catalyst, Solvent-free, sulfamic acid (SA)}, issn = {1566-7367}, doi = {10.1016/j.catcom.2008.02.011}, author = {Mitragotri, Satish D. and Pore, D. M. and Desai, Uday V. and Wadgaonkar, P. P.} } @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:000254180300055, title = {Synthesis and antimicrobial activity of beta-lactam-bile acid conjugates linked via triazole}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {18}, number = {6}, year = {2008}, month = {MAR}, pages = {2043-2047}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Synthesis of novel 1,2,3-triazole-linked beta-lactam-bile acid conjugates 17-24 using 1,3-dipolar cycloaddition reaction of azido beta-lactam and terminal alkyne of bile acids in the presence of Cu( I) catalyst ( click chemistry) have been realized. These molecules were evaluated in vitro for their antifungal and antibacterial activities. Most of the compounds exhibited significant antifungal and moderate antibacterial activity against all the tested strains. (c) 2008 Elsevier Ltd. All rights reserved.

}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2008.01.102}, author = {Vatmurge, Namdev S. and Hazra, Braja G. and Pore, Vandana S. and Shirazi, Fazal and Chavan, Pradnya S. and Deshpande, Mukund V.} } @article { ISI:000260429100023, title = {Synthesis and biological evaluation of bile acid dimers linked with 1,2,3-triazole and bis-beta-lactam}, journal = {Organic \& Biomolecular Chemistry}, volume = {6}, number = {20}, year = {2008}, month = {OCT}, pages = {3823-3830}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

We report herein the synthesis and biological evaluation of bile acid dimers 11-18 linked through 1,2,3-triazole and bis-beta-lactam. The dimers 11-18 were synthesized using 1,3-dipolar cycloaddition reaction of diazido bis-beta-lactams 3, 4 and terminal alkynes 7-10 derived from cholic acid/deoxycholic acid in the presence of Cu(I) catalyst (click chemistry). These novel molecules were evaluated in vitro for their antifungal and antibacterial activity. Most of the compounds exhibited significant antifungal as well as antibacterial activity against all the tested fungal and bacterial strains. Moreover, their in vitro cytotoxicities towards HEK-293 and MCF-7 cells were also established.

}, issn = {1477-0520}, doi = {10.1039/b809221d}, author = {Vatmurge, Namdev S. and Hazra, Braja G. and Pore, Vandana S. and Shirazi, Fazal and Deshpande, Mukund V. and Kadreppa, Sreenath and Chattopadhyay, Samit and Gonnade, Rajesh G.} } @article { ISI:000260062900021, title = {Synthesis and self-assembling properties of alpha,omega-hydroxy-poly(ethylene oxide) end-capped with 1-isocyanato-3-pentadecylcyclohexane}, journal = {Polymer}, volume = {49}, number = {21}, year = {2008}, month = {OCT}, pages = {4635-4646}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

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

}, keywords = {Associating polymer, Hydrophobically end-capped, poly(ethylene oxide), Star micelles}, issn = {0032-3861}, doi = {10.1016/j.polymer.2008.07.064}, author = {Kadam, Vijay S. and Badiger, Manohar V. and Wadgaonkar, Prakash P. and Ducouret, Guylaine and Hourdet, Dominique} } @article { ISI:000253181000037, title = {Synthesis, characterization of chemically deposited indium selenide thin films at room temperature}, journal = {Journal of Physics and Chemistry of Solids}, volume = {69}, number = {1}, year = {2008}, month = {JAN}, pages = {249-254}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Polycrystalline In2Se3 semiconducting thin films were prepared by using relatively simple chemical bath deposition method at room temperature by the reaction between indium chloride, tartaric acid, hydrazine hydrate and sodium selenosulphate in an aqueous alkaline medium. Various preparative conditions of thin film deposition are outlined. The as grown films were found to be transparent, uniform, well adherent and red in color. The films were characterized using X-ray diffraction (XRD), scanning electron microscopy, atomic absorption spectroscopy and energy dispersive atomic X-ray diffraction (EDAX). The XRD analysis of the film showed the presence of polycrystalline nature with hexagonal crystal structure. SEM study revels that the grains are homogenous, without cracks or pinholes and well covers the glass substrate. The optical absorption and electrical conductivity was measured. The direct optical band gap value for the films was found to be of the order of 2.35eV at room temperature and have specific electrical conductivity of the order of 10(-2) (Omega cm)(-1) showing n-type conduction mechanism. The utility of the adapted technique is discussed from the view-point of applications considering the optoelectric and structural data. (c) 2007 Elsevier Ltd. All rights reserved.

}, keywords = {Chemical synthesis, Semiconductor}, issn = {0022-3697}, doi = {10.1016/j.jpcs.2007.08.070}, author = {Asabe, M. R. and Chate, P. A. and Delekar, S. D. and Garadkar, K. M. and Mulla, Imtiaz S. and Hankare, P. P.} } @article { ISI:000257619700016, title = {Synthesis of (3S,4R)-4-benzylamino-3-methoxypiperidine, an important intermediate for (3S,4R)-Cisapride}, journal = {Tetrahedron}, volume = {64}, number = {30-31}, year = {2008}, month = {JUL}, pages = {7191-7198}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

An efficient synthesis of (3S,4R)-4-benzylamino-3-methoxypiperidine, an useful intermediate for the chiral synthesis of important drug molecule Cisapride and its analogs, from enantiopure 4-formylazetidin-2-one is described. Synthesis of trans as well as cis isomers of 4-amino-3-methoxypiperidine from 4-formylazetidin-2-one is also achieved in good yield. (c) 2008 Elsevier Ltd. All rights reserved.

}, keywords = {4-aminopiperidine, azetidin-2-ones, Cisapride, Staudinger reaction, stereoselective synthesis}, issn = {0040-4020}, doi = {10.1016/j.tet.2008.05.090}, author = {Shirode, Nilesh M. and Likhite, Anjali P. and Gumaste, Vikas K. and Deshmukh, Abdul Rakeeb A. S.} } @article { ISI:000254135200020, title = {Synthesis of amphiphilic poly(methyl methacrylate-b-ethylene oxide) copolymers from monohydroxy telechelic poly(methyl methacrylate) as macroinitiator}, journal = {Journal of Polymer Science Part A-Polymer Chemistry}, volume = {46}, number = {6}, year = {2008}, month = {MAR}, pages = {2132-2144}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

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

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

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

}, keywords = {Biodiesel, phosphotungstic acids, Silicotungstic acid, transesterification, tungsten oxide, Zirconia}, issn = {1566-7367}, doi = {10.1016/j.catcom.2007.08.007}, author = {Sunita, G. and Devassy, Biju M. and Vinu, Ajayan and Sawant, Dhanashri P. and Balasubramanian, Veerappan V. and Halligudi, Shivappa B.} } @article { ISI:000254222400007, title = {Synthesis of bismuth titanate (Bi4Ti3O12)powders via calcination of microwave-hydrothermally (MH) derived precursor}, journal = {Indian Journal of Engineering and Materials Sciences}, volume = {15}, number = {1}, year = {2008}, month = {FEB}, pages = {51-54}, publisher = {NATL INST SCIENCE COMMUNICATION}, type = {Article}, address = {DR K S KRISHNAN MARG, NEW DELHI 110 012, INDIA}, abstract = {

Micrometer sized platelet-like particles of bismuth titanate (Bi4Ti3O12) ire prepared successfully by the calcination of a mixed-precursor in air. The mixed precursor is precipitated Under microwave-hydrothermal (MH) treatment via dissolution-recrystallization kinetics. The mixed precursor is precipitated in-situ by giving MH treatment (at 200 degrees C, 200 psi, and 30 min hold time) to the hydrolysed slurry containing Bi and Ti cations. The slurry was prepared by adding 20\% aqueous KOH precipitant solution to a well-mixed stoichiometric nitrate solution containing Bi and Ti cations. XRD results revealed that the as-dried precursor consisted of a homogenous mixture of non-crystalline particles of Bi2O3 and TiO2. The calcination of the as-dried precursor at 700 degrees C/2 h in air resulted ill the formation of micron sized platelet like single-phase Bi4Ti3O12 powders having orthorhombic structure.

}, keywords = {Bi4Ti3O12, MH processing, SEM, XRD}, issn = {0971-4588}, author = {Khollam, Y. B. and Deshpande, S. B. and Samuel, V. and Potdar, H. S.} } @article { ISI:000259972800039, title = {Synthesis of chimeric tetrapeptide-linked cholic acid derivatives: impending synergistic agents}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {18}, number = {20}, year = {2008}, month = {OCT}, pages = {5512-5517}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {Antimicrobial activity, Cholic acid, Cytotoxicity, Synergism, Tetrapeptide}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2008.09.013}, author = {Bavikar, Sudhir N. and Salunke, Deepak B. and Hazra, Braja G. and Pore, Vandana S. and Dodd, Robert H. and Thierry, Josiane and Shirazi, Fazal and Deshpande, Mukund V. and Kadreppa, Sreenath and Chattopadhyay, Samit} } @article {Council of Scientific and Industrial Research (CSIR), title = {Synthesis of five and six membered aminocyclitols: stereoselective michael and henry reaction approach with D-glucose derived alpha,beta-unsaturated ester}, journal = {Tetrahedron}, volume = {64}, number = {40}, year = {2008}, month = {SEP}, pages = {9574-9580}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The stereoselective intermolecular Michael addition of nitromethane to D-glucose derived alpha,beta-unSaturated ester 7 afforded L-ido-configurated nitroester 8 as the only product that on reduction of the ester functionality, cleavage of 1,2-acetonide and the intramolecular Henry reaction afforded exclusively muco-nitroinositol 9. While reduction of the ester functionality in 8, deprotection of 1,2-acetonide, oxidative cleavage with NaIO(4) and the intrarnolecular Henry reaction afforded nitrocyclopentitol 13. Nitrocyclitols 9 and 13 were converted to the hydroxyethyl substituted aminocyclohexitol 5 and aminocyclopentitol 6, respectively. (C) 2008 Elsevier Ltd. All rights reserved.

}, keywords = {aminocyclitols, carbohydrates, Henry reaction, Michael addition, nitroinositol}, issn = {0040-4020}, doi = {10.1016/j.tet.2008.07.049}, author = {Chakraborty, Chaitali and Vyavahare, Vinod P. and Puranik, Vedavati G. and Dhavale, Dilip D.} } @article { ISI:000260095800003, title = {Synthesis of substituted styrenes and stilbenes mediated by palladium on zirconia}, journal = {Journal of Chemical Research-S}, number = {9}, year = {2008}, month = {SEP}, pages = {495-499}, publisher = {SCIENCE REVIEWS LTD}, type = {Article}, address = {PO BOX 314, ST ALBANS AL1 4ZG, HERTS, ENGLAND}, abstract = {

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

}, keywords = {heterogeneous catalyst, palladium on zirconia, stilbenes, styrenes}, issn = {0308-2342}, doi = {10.3184/030823408X340807}, author = {Borate, Hanumant B. and Dumbre, Deepa K. and Wakharkar, Radhika D. and Choudhary, Vasant R.} } @article { ISI:000261466800007, title = {Tandem aza-michael-condensation-aldol cyclization reaction: approach to the construction of DE synthon of (+/-)-camptothecin}, journal = {Synlett}, number = {18}, year = {2008}, month = {NOV}, pages = {2781-2784}, publisher = {GEORG THIEME VERLAG KG}, type = {Article}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

An efficient synthesis of the DE ring of camptothecin, employing a Reformatsky and a tandem one-pot, three-step transformation involving aza-Michael reaction, condensation with ethyl malonyl chloride followed by intramolecular {\textquoteleft}aldol{\textquoteright} reaction to furnish the dihydropyridone derivative from commercially available starting materials, has been achieved.

}, keywords = {Aldol cyclizations, alkaloids, antitumor, Natural products, Reformatsky reaction}, issn = {0936-5214}, doi = {10.1055/s-0028-1083539}, author = {Chavan, Subhash P. and Dhawane, Abasaheb N. and Kalkote, Uttam R.} } @article { ISI:000260807500005, title = {Taxol and 10-deacetylbaccatinIII induce distinct changes in the dynamics of caveolae}, journal = {FEBS Letters}, volume = {582}, number = {25-26}, year = {2008}, month = {OCT}, pages = {3595-3600}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Taxol treatment of HeLa cells resulted in a transient recruitment of Caveolin-1 to the cell surface followed by internalization. Interestingly, 20 min after 10-deacetylbaccatinIII (10-DAB) treatment, the caveolae displayed faster {\textquoteleft}kiss and run{\textquoteright} dynamics while BaccatinIII (BacIII) did not induce any change. Sustained phosphorylation of Caveolin-1 is observed upon treatment and between Taxol and 10-DAB, the former shows phosphorylated Raf-1, ERK1/2 and hyperphosphorylated Bcl-2 while the later showed much less magnitude of the same. BacIII treatment did not induce phosphorylation of Raf-1 or Bcl-2. It is possible that Taxol might act on multiple targets and the side chain may be crucial. (c) 2008 Federation of European Biochemical Societies. Published by Elsevier B. V. All rights reserved.

}, keywords = {10-DeacetylbaccatinIII, BaccatinIII, Caveolae, Cytotoxicity, Kiss and run dynamic, Taxol, TIRFM}, issn = {0014-5793}, doi = {10.1016/j.febslet.2008.09.029}, author = {Ahmed, Neesar and Dasari, Sreekanth and Srivastava, Saumya S. and Sneh, Amita and Ahmad, Absar and Khan, Mohammad Islam and Krishnasastry, M. V.} } @article { ISI:000256613900001, title = {Unusual addition of amines to C-2 of vinyl sulfone-modified-beta-D-pent-2-enofuranosyl carbohydrates: synthesis of a new class of beta-anomeric 2-amino-2,3-dideoxy-D-threo-pentofuranosides}, journal = {Carbohydrate Research}, volume = {343}, number = {8}, year = {2008}, month = {JUN}, pages = {1287-1296}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

When 3-C-sulfonyl-pent-2-enofuranosides and 3-C-sulfonyl-hex-2-enofuranosides were reacted with primary and secondary amines, only the beta-anomeric methoxy group of the pent-2-enofuranoside did not cause any hindrance to incoming nitrogen nucleophiles. This resulted in the {\textquoteleft}unusual{\textquoteright} addition of amines, in which the diastereoselectivity of the reaction was overwhelmingly in favor of amino sugars of the D-arabino configuration. Selected products were desulfonylated to obtain a new class of beta-anomeric 2-amino-2,3-dideoxy-D-threo-pentofuranosides. (C) 2008 Elsevier Ltd. All rights reserved.

}, keywords = {amino sugars, deoxyaminosugars, desulfonylation with Mg-MeOH-NiBr(2), diastereoselective Michael addition, vinyl sulfone-modified carbohydrates}, issn = {0008-6215}, doi = {10.1016/j.carres.2008.03.022}, author = {Das, Indrajit and Suresh, Cheravakkattu G. and Decout, Jean-Luc and Pathak, Tanmaya} } @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:000252195200043, title = {Utilization of molasses sugar for lactic acid production by lactobacillus delbrueckii subsp delbrueckii mutant Uc-3 in batch fermentation}, journal = {Applied and Environmental Microbiology}, volume = {74}, number = {1}, year = {2008}, month = {JAN}, pages = {333-335}, publisher = {AMER SOC MICROBIOLOGY}, type = {Article}, address = {1752 N ST NW, WASHINGTON, DC 20036-2904 USA}, abstract = {

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

}, issn = {0099-2240}, doi = {10.1128/AEM.01595-07}, author = {Dumbrepatil, Arti and Adsul, Mukund G. and Chaudhari, Shivani and Khire, Jayant Malhar and Gokhale, Digambar V.} } @article { ISI:000255798800008, title = {Van der waals and polar intermolecular contact distances: quantifying supramolecular synthons}, journal = {Chemistry-an Asian Journal}, volume = {3}, number = {5}, year = {2008}, month = {APR}, pages = {868-880}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {

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

}, keywords = {atomic radii, benzene crystal, engineering, supramolecular chemistry, van der Waals radii}, issn = {1861-4728}, doi = {10.1002/asia.200700343}, author = {Ganguly, Parthasarathy and Desiraju, Gautam R.} } @article { ISI:000260483400085, title = {Varistor property of SnO2 center dot CoO center dot Ta2O5 ceramic modified by barium and strontium}, journal = {Journal of Alloys and Compounds}, volume = {466}, number = {1-2}, year = {2008}, month = {OCT}, pages = {483-487}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

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

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

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

}, issn = {0021-8979}, doi = {10.1063/1.3009317}, author = {Dhobale, Sandip and Thite, Trupti and Laware, S. L. and Rode, C. V. and Koppikar, Soumya J. and Ghanekar, Ruchika-Kaul and Kale, Sangeeta N.} } @article { ISI:000269426900019, title = {Acetalization of glycerol using mesoporous MoO3/SiO2 solid acid catalyst}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {310}, number = {1-2}, year = {2009}, month = {SEP}, pages = {150-158}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

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

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

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

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

}, issn = {1060-3271}, author = {Dhaneshwar, Sunil R. and Bhusari, Vidhya K. and Mahadik, Mahadeo V. and Santhakumari, B.} } @article { ISI:000261922400011, title = {Cell proliferation and controlled drug release studies of nanohybrids based on chitosan-g-lactic acid and montmorillonite}, journal = {Acta Biomaterialia}, volume = {5}, number = {1}, year = {2009}, month = {JAN}, pages = {93-100}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

The present paper reveals the potential uses of novel hybrids of chitosan-g-lactic acid and sodium montmorillonite (MMT) in controlled drug delivery and tissue engineering applications. The drug-loaded novel nanohybrid films and porous scaffolds have been prepared by solvent casting and freeze-drying of the grafted polymer solution, respectively. Sodium Ibuprofen was loaded into nanohybrids of chitosan-g-lactic acid/sodium montmorillonite (CS-g-LA/MMT). Grafting of lactic acid and the drug loading were characterized by Fourier transform infrared spectroscopy. Formation of intercalated nanocomposites was confirmed by X-ray diffraction. Mechanical properties measurements have shown improvement in modulus and strength with expense of elongation by MMT reinforcement. The nanohybrids were found to be stable regardless of pH of the medium. The cell proliferation profile also shows that prepared nanohybrids are biocompatible. MMT reinforcement was found to control the drug (Ibuprofen) release rate in phosphate buffer saline solution (pH 7.4). MMT clay is therefore a viable additive for formulating sustained drug delivery systems based on lactic acid grafted chitosan. (C) 2008 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

}, keywords = {Chitosan, clay, Controlled release, drug delivery systems, Nanocomposites}, issn = {1742-7061}, doi = {10.1016/j.aetbio.2008.08.007}, author = {Depan, Dilip and Kumar, Annamalai Pratheep and Singh, Raj Pal} } @article { ISI:000269374500012, title = {Changes in volatile composition during fruit development and ripening of {\textquoteleft}Alphonso{\textquoteright} mango}, journal = {Journal of the Science of Food and Agriculture}, volume = {89}, number = {12}, year = {2009}, month = {SEP}, pages = {2071-2081}, publisher = {JOHN WILEY \& SONS LTD}, address = {THE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W SUSSEX, ENGLAND}, abstract = {

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

}, keywords = {Deogad, Gas chromatography, Mangifera indica, mango products, ripening indicator, Sabja}, issn = {0022-5142}, doi = {10.1002/jsfa.3692}, author = {Pandit, Sagar S. and Kulkarni, Ram S. and Chidley, Hemangi G. and Giri, Ashok P. and Pujari, Keshav H. and Koellner, Tobias G. and Degenhardt, Joerg and Gershenzon, Jonathan and Gupta, Vidya S.} } @article { ISI:000263018200028, title = {Chemical bath deposition of CdS quantum dots on vertically aligned ZnO nanorods for quantum dots-sensitized solar cells}, journal = {Electrochemistry Communications}, volume = {11}, number = {1}, year = {2009}, month = {JAN}, pages = {103-106}, publisher = {ELSEVIER SCIENCE INC}, address = {360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA}, abstract = {

Formation of US quantum dots (Q dots) on the vertically aligned ZnO nanorods electrode was carried out by chemical bath deposition. The diameter and thickness of ZnO nanorods are similar to 100-150 nm and similar to 1.6 mu m, respectively, and CdS Q dots on ZnO nanorods have a diameter of smaller than 15 nm. In application of the Q dots-sensitized solar cells, composite film exhibited a power conversion efficiency of 0.54\% under air mass 1.5 condition (80 mW/cm(2)), and incident-photon-to-current conversion efficiency showed 18.6\%. (c) 2008 Elsevier B.V. All rights reserved.

}, keywords = {Chemical bath deposition, Photosensitization, quantum dots, solar cells, Wet-chemical process}, issn = {1388-2481}, doi = {10.1016/j.elecom.2008.10.042}, author = {Lee, Wonjoo and Min, Sun Ki and Dhas, Vivek V. and Ogale, Satishchandra B. and Han, Sung-Hwan} } @article { ISI:000261768700023, title = {Click synthesis of isomeric compounds for assessing the efficiency of the bifurcated Br center dot center dot center dot NO2 synthon}, journal = {Crystengcomm}, volume = {11}, number = {1}, year = {2009}, month = {OCT}, pages = {143-150}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

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

}, issn = {1466-8033}, doi = {10.1039/b809985e}, author = {Ramana, C. V. and Chatterjee, Soumitra and Durugkar, Kulbhushan A. and Gonnade, Rajesh G.} } @article { ISI:000271309400016, title = {CNS Depressant activity of ethanol extract of sterculia guttata seeds in mice}, journal = {Indian Journal of Pharmaceutical Sciences}, volume = {71}, number = {4}, year = {2009}, month = {JUL}, pages = {445-U167}, publisher = {MEDKNOW PUBLICATIONS}, address = {A-108-109 KANARA BUSINESS CENTRE, GHAKTOPAR, MUMBAI, 400075, INDIA}, abstract = {

Shade dried, powdered seeds of Sterculia guttata were extracted using a Soxhlet extractor with ethanol. Ethanol was removed under reduced pressure and dried to obtained crude extract. This extract was evaluated for its effect on behavioral changes, exploratory activity and barbiturate-sleeping time, using appropriate standard methods in mice. The extract exhibited dose-dependent CNS depressant activity.

}, keywords = {Barbitone sodium, CNS depressant activity, pentobarbitone sodium, Sterculia guttata Roxb., Swiss albino mice}, issn = {0250-474X}, author = {Katade, S. R. and Misar, Ashwini V. and Mujumdar, Arvind M. and Phalgune, U. D. and Wakharkar, R. D. and Deshpande, N. R.} } @article { ISI:000264127100020, title = {Column liquid chromatography-ultraviolet and column liquid chromatography/mass spectrometry evaluation of stress degradation behavior of escitalopram oxalate}, journal = {Journal of AOAC international}, volume = {92}, number = {1}, year = {2009}, month = {JAN}, pages = {138-147}, abstract = {

{The objective of this work was to study the degradation behavior of escitalopram oxalate under different International Conference on Harmonization (ICH)-recommended stress conditions by column liquid chromatography (LC)-UV and LC/mass spectrometry (LC/MS) and to establish a validated stability-indicating LC assay method. Escitalopram oxalate was subjected to stress conditions of hydrolysis, oxidation, photolysis, and thermal decomposition. Extensive degradation was found to occur in alkaline medium. Mild degradation was observed in acidic and oxidative conditions. Escitalopram oxalate was stable to neutral, photolytic, and thermal stress. Successful separation of the drug from degradation products formed under stress conditions was achieved on a PerfectSil-100 ODS-3 column [C(18) (5 mu m, 25 cm x 4.6 mm id)] using methanol-0.01 M acetate buffer pH 3.8 adjusted with acetic acid (45 + 55) as the mobile phase. The flow rate was 1 mL/min, and the detection wavelength was 239 nm. The method was validated according to ICH guidelines. Major degradation products formed in hydrolysis and oxidative conditions were isolated, and structural elucidation of degradation products was done by LC/MS and infrared spectrometry studies. The major hydrolysis degradation product was confirmed as 1-(3-dimethylaminopropyl)-1-(4-fluoro-phenyl)-1,3dihydroisobenzofuran-5- carboxylic acid, and the major oxidative degradation product was confirmed as 1-{[3-dimethylamino(oxide)-propyl]-1(4-flurophenyl)}-1,3-dihydro-iso benzofuran-5-carbonitrile.

}, author = {Dhaneshwar, Sunil R. and Mahadik, Mahadeo V. and Kulkarni, Mahesh J.} } @article { ISI:000268231500057, title = {Combinatorial library of primaryalkylammonium dicarboxylate gelators: a supramolecular synthon approach}, journal = {Langmuir}, volume = {25}, number = {15}, year = {2009}, month = {AUG}, pages = {8742-8750}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

}, issn = {0743-7463}, doi = {10.1021/la9001362}, author = {Sahoo, Pathik and Adarsh, N. N. and Chacko, George E. and Raghavan, Srinivasa R. and Puranik, Vedavati G. and Dastidar, Parthasarathi} } @article { ISI:000264484400007, title = {Comparative studies of two araceous lectins by steady state and time-resolved fluorescence and CD spectroscopy}, journal = {Journal of Fluorescence}, volume = {19}, number = {2}, year = {2009}, month = {MAR}, pages = {239-248}, publisher = {SPRINGER/PLENUM PUBLISHERS}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

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

}, keywords = {Araceae lectins, Denaturation, fluorescence, Lifetime spectroscopy, Secondary structure}, issn = {1053-0509}, doi = {10.1007/s10895-008-0409-z}, author = {Dharker, Poorva N. and Gaikwad, Sushama M. and Suresh, C. G. and Dhuna, Vikram and Khan, Mohammad Islam and Singh, Jatinder and Kamboj, Sukhdev Singh} } @article { ISI:000262440400015, title = {Composites of plasma treated poly(etherimide) films with gold nanoparticles and lysine through layer by layer assembly: a {\textquoteleft}{\textquoteleft}friendly-rough{\textquoteright}{\textquoteright} surface for cell adhesion and proliferation for tissue engineering applications}, journal = {Journal of Materials Chemistry}, volume = {19}, number = {4}, year = {2009}, month = {DEC}, pages = {544-550}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

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

}, issn = {0959-9428}, doi = {10.1039/b817231e}, author = {D{\textquoteright}Britto, Virginia and Tiwari, S. and Purohit, V. and Wadgaonkar, P. P. and Bhoraskar, S. V. and Bhonde, Ramesh R. and Bhagavatula L. V. Prasad} } @article {Kulkarni, title = {Continuous hydroxyalkylation of p-Cresol to 2,2 {\textquoteleft}-methylenebis(4-Methylphenol) in a fixed bed reactor}, journal = {Journal of Chemical Engineering of Japan}, volume = {42}, number = {10}, year = {2009}, month = {OCT}, pages = {782-787}, abstract = {

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

}, author = {Garade, Ajit C. and Hengne, Amol M. and Deshpande, Tushar N. and Shaligram, Sayali V. and Shirai, Masayuki and Rode, Chandrashekhar V.} } @article { ISI:000264437500012, title = {Copper-based catalysts for water gas shift reaction: influence of support on their catalytic activity}, journal = {Catalysis Today}, volume = {141}, number = {1-2}, year = {2009}, note = {18th National Symposium and Indo-US Seminar on Catalysis, Indian Inst Petroleum, Dehradun, INDIA, APR 16-18, 2007}, month = {MAR}, pages = {72-76}, publisher = {Catalysis Soc India; Petrotech Soc; Indo US Sci \& Technol Forum}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

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

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

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

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

}, keywords = {10\%La-bentonite, Defluoridation, Kinetic modeling, Langmuir and Freundlich adsorption isotherms, Water treatment}, issn = {0011-9164}, doi = {10.1016/j.desal.2009.01.031}, author = {Kamble, Sanjay P. and Dixit, Priyadarshini and Rayalu, Sadhana S. and Labhsetwar, Nitin K.} } @article { ISI:000265529700034, title = {Density functional investigation of relativistic effects on the structure and reactivity of tetrahedral gold clusters}, journal = {Journal of Physical Chemistry C}, volume = {113}, number = {17}, year = {2009}, month = {APR}, pages = {7101-7106}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The influence of relativistic effects on the structure, vibrational modes, and reactivity of recently discovered tertrahedral gold clusters (Au(19) and Au(20)) are investigated using density functional methods. The intramolecular reactivity of the clusters was analyzed using density functional-based reactivity descriptors. The work shows that whereas the structural properties and vibrational modes are considerably affected by the relativistic effects, the reactivity trends based on Fukui function calculation on various atoms within this cluster remain unaffected by the absence or presence of relativistic effects. The reactivity descriptors reveal that the vertex atoms are the most reactive ones in Au(20) toward a nucleophilic attack. On the other hand, atoms connecting the missing vertex edge with the pyramid base along with the vertex atom are the most reactive for a nucleophilic attack in Au(19). The atoms lying at the center of each face are favorable for an electrophilic attack in both cases. Interestingly, the atoms with a missing cap in Aulg are highly favorable for electrophilic attack, and Au(20) has more sites for a favorable nucleophilic attack.

}, issn = {1932-7447}, doi = {10.1021/jp9001884}, author = {De, Himadri Sekhar and Krishnamurty, Sailaja and Pal, Sourav} } @article { ISI:000281760100214, title = {Development of mycoinsecticide for the control of insect pests: comparative evaluation of metarhizium isolates to identify strains for commercialization}, journal = {New Biotechnology}, volume = {25}, number = {1}, year = {2009}, month = {SEP}, pages = {S88-S89}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, issn = {1871-6784}, doi = {10.1016/j.nbt.2009.06.360}, author = {Deshpande, Mukund V. and Kulkarni, Shuklangi A. and Ghormade, Vandana and Kapoor, Manisha and Chavan, Santosh B. and Kulkarni, Grish and Shouche, Yogesh} } @article { ISI:000271697800001, title = {Diagnostic study on the energetics aspects of hiatus in the advance of southwest monsoon}, journal = {Mausam}, volume = {60}, number = {4}, year = {2009}, month = {OCT}, pages = {427-436}, publisher = {INDIA METEOROLOGICAL DEPT}, address = {MAUSAM BHAWAN, LODI RD, NEW DELHI, 110 003, INDIA}, abstract = {

Advance of southwest monsoon, after its onset, often gets stalled for a week or more causing concern to the farmers and other community whose activities are weather dependent. The present study on the energetics aspect of hiatus in the advance of southwest monsoon over India aims at understanding the dynamical reasons for this. Nine cases of hiatus of duration more than 10 days during 1982-2006 have been selected. For each hiatus case, different energy terms, their generation and conversion among different terms have been computed during the hiatus period and also during the pre-hiatus pentad over a limited region between 65 degrees E to 90 degrees E, 5 degrees N to 30 degrees N. These computations are based on NCEP 2.5 degrees x 2.5 degrees re-analysed daily composite data during different hiatus period and during corresponding pre-hiatus pentad. From this study it is found that : (i) In most of the cases there is a reduction in the generation of zonal available potential energy [G(A(Z))] during hiatus period compared to pre-hiatus pentad. (ii) Drop in the conversion from zonal available potential energy to zonal kinetic energy [C(A(Z), K(Z))] during hiatus period has been observed in most of the cases. (iii) In most of the cases there is a reduction in zonal kinetic energy (K(Z)) and in eddy kinetic energy (K(E)) during hiatus period compared to pre-hiatus pentad.

}, keywords = {Energetics, Hiatus}, issn = {0252-9416}, author = {Dutta, Somenath and De, U. S. and Devi, Sunitha} } @article { ISI:000270770900015, title = {Doping-induced microstructural, textural and optical properties of In2Ti1-xVxO5+delta semiconductors and their role in the photocatalytic splitting of water}, journal = {Materials Chemistry and Physics}, volume = {117}, number = {2-3}, year = {2009}, month = {OCT}, pages = {399-407}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

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

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

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

}, issn = {1359-7345}, doi = {10.1039/b913546d}, author = {Seema Bagmare and D{\textquoteright}Costa, Moneesha and Kumar, Vaijayanti A.} } @article { ISI:000270643800013, title = {Effect of different operational conditions on the decolorization of molasses spent wash using once developed soil inoculum}, journal = {Biodegradation}, volume = {20}, number = {6}, year = {2009}, month = {NOV}, pages = {867-874}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

A stirred vessel coupled with membrane unit containing cellulose acetate (0.45 mu m) membrane was used to study the decolorization of anaerobically digested molasses spent wash (MSW). The soil collected from the MSW disposal site was used as inoculum to study the decolorization without addition of any additives. The same inoculum was used over a period of 163 days at room temperature to study the decolorization of 12.5-50\% (v/v) MSW using different operational conditions. The reactor was entered in to the inhibition mode after the feeding of 50\% MSW, which was restored 100\% without changing any operational condition. The maximum decolorization obtained for 12.5\% (v/v) MSW was 77.22 +/- A 0.13\%. The decolorization achieved for 25, 37.5, and 50\% (v/v) MSW was 70.41 +/- A 0.12, 56.47 +/- A 0.17, and 48.78 +/- A 0.09\%, respectively. Increase in the utilization of protein and reducing sugar was observed up to 25\% MSW whereas, higher concentration showed decrease in the utilization. Results indicate 63\% removal of chemical oxygen demand for 12.5\% (v/v) MSW. Membrane flux which was significantly reduced after the feeding of 50\% MSW was regenerated without changing the washing procedure, however, 35\% decrease in sample flux was observed over the continuous use of membrane for the period of 198 days.

}, keywords = {Decolorization, Membrane flux, Molasses spent wash, Soil as inoculum, stirred vessel}, issn = {0923-9820}, doi = {10.1007/s10532-009-9274-y}, author = {Adikane, H. V. and Dixit, J. N.} } @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:000264538000029, title = {Efficient formal synthesis of (S)-dapoxetine from enantiopure 3-hydroxy azetidin-2-one}, journal = {Tetrahedron}, volume = {65}, number = {12}, year = {2009}, month = {MAR}, pages = {2605-2609}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {Azetidin 2 ones, beta-Lactams, Enantioselective synthesis, reduction, Staudinger reaction}, issn = {0040-4020}, doi = {10.1016/j.tet.2008.11.042}, author = {Chincholkar, Pinak M. and Kale, Ajaykumar S. and Gumaste, Vikas K. and Deshmukh, Abdul Rakeeb A. S.} } @article { ISI:000263749400010, title = {Efficient, rapid, and regioselective bromination of anilines and phenols with 1-butyl-3-methylpyridinium tribromide as a new reagent/solvent under mild conditions}, journal = {Tetrahedron Letters}, volume = {50}, number = {9}, year = {2009}, month = {MAR}, pages = {1007-1009}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {Bromination, Ionic liquid, Regioselective, [BMPy]Br(3)}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2008.12.053}, author = {Borikar, Sanjay P. and Daniel, Thomas and Paul, Vincent} } @article { ISI:000267509500004, title = {Electronic manifestation of cation-vacancy-induced magnetic moments in a transparent oxide semiconductor: anatase Nb:TiO2}, journal = {Advanced Materials}, volume = {21}, number = {22}, year = {2009}, month = {JUN}, pages = {2282+}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

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

}, issn = {0935-9648}, doi = {10.1002/adma.200803019}, author = {Zhang, Shixiong and Ogale, Satishchandra B. and Yu, Weiqiang and Gao, Xingyu and Liu, Tao and Ghosh, Saurabh and Das, Gour P. and Wee, Andrew T. S. and Greene, Richard L. and Venkatesan, Thirumalai} } @article { ISI:000270363600029, title = {Enhanced conversion efficiency in dye-sensitized solar cells based on hydrothermally synthesized TiO2-MWCNT nanocomposites}, journal = {ACS Applied Materials \& Interfaces}, volume = {1}, number = {9}, year = {2009}, month = {SEP}, pages = {2030-2035}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A 50 \% enhancement in the conversion efficiency (4.9-7.37 \%) is realized in dye-sensitized solar cells Using hydrothermally synthesized TiO2-multiwalled carbon nanotube (MWCNT) nanocomposites as compared to hydrothermally synthesized TiO2 without MWCNT and Degussa P25. Several characterizations have been employed to reveal the nature of the modification imparted to the MWCNTs under hydrothermal processing conditions and the resulting TiO2-MWCNT conjugation through -COOH groups. Efficient charge transfer In the nanocomposite and efficient electron transport by MWCNT (significantly higher Incident-photon-to-current conversion efficiency) are suggested to be the possible reasons for the enhancement.

}, keywords = {Carbon nanotubes, charge transfer, Dye-sensitized solar cells, Hybrid composite, hydrothermal}, issn = {1944-8244}, doi = {10.1021/am900396m}, author = {Muduli, Subas and Lee, Wonjoo and Dhas, Vivek V. and Mujawar, Sarfraj and Dubey, Megha and Vijayamohanan, K. and Han, Sung-Hwan and Ogale, Satishchandra} } @article { ISI:000272052200068, title = {Enhanced nonvolatile resistive switching in dilutely cobalt doped TiO2}, journal = {Applied Physics Letters}, volume = {95}, number = {20}, year = {2009}, month = {NOV}, pages = {203502}, publisher = {AMER INST PHYSICS}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {

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

}, keywords = {cobalt, Doping, magnetic switching, random-access storage, titanium compounds, vacancies (crystal), valency}, issn = {0003-6951}, doi = {10.1063/1.3263713}, author = {Bogle, Kashinath A. and Bachhav, Mukesh N. and Deo, Meenal S. and Valanoor, Nagarajan and Ogale, Satishchandra B.} } @article { ISI:000262886200019, title = {Epitaxially grown zinc-blende structured Mn doped ZnO nanoshell on ZnS nanoparticles}, journal = {Materials Research Bulletin}, volume = {44}, number = {2}, year = {2009}, month = {FEB}, pages = {339-344}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {Chemical synthesis, Luminescence, Nanostructures, Semiconductors, X-ray diffraction}, issn = {0025-5408}, doi = {10.1016/j.materresbull.2008.05.015}, author = {Limaye, Mukta V. and Singh, Shashi B. and Date, Sadgopal K. and Gholap, Ramkrishna S. and Kulkarni, Sulabha K.} } @article { ISI:000268120200001, title = {Evaluation of repulsive particle swarm method for phase equilibrium and phase stability problems}, journal = {Fluid Phase Equilibria}, volume = {282}, number = {2}, year = {2009}, month = {AUG}, pages = {65-67}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

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

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

}, keywords = {1, 2, 3-dipolar cycloaddition, 3-Triazole, 4-Disubstituted-1, 5 {\textquoteleft}-Azidouridine, Antifungal compounds, Chitin synthase activity, Click reaction, Uridine nucleosides}, issn = {0968-0896}, doi = {10.1016/j.bmc.2009.02.019}, author = {Chaudhary, Preeti M. and Chavan, Sayalee R. and Shirazi, Fazal and Razdan, Meenakshi and Nimkar, Prachi and Maybhate, Shailaja P. and Likhite, Anjali P. and Gonnade, Rajesh G. and Hazra, Braja G. and Deshpande, Mukund V. and Deshpande, Sunita R.} } @article { ISI:000262974500006, title = {Growth of barium oxalate crystals in agar-agar gel and their characterization}, journal = {Crystal Research and Technology}, volume = {44}, number = {1}, year = {2009}, month = {JAN}, pages = {36-42}, publisher = {WILEY-V C H VERLAG GMBH}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {

{Single crystals of barium oxalate have been grown by get method using agar-agar gel as media of growth at ambient temperature. The optimum conditions were established by varying various parameters such as concentration of gel, concentration of reactant, gel setting time etc. Prismatic platy shaped transparent crystals were obtained. The grown crystals were characterized through powder X-ray diffraction (XRD), Fourier transform infrared (FT-IR) studies, Thermogravimetric (TGA) and Differential thermal analysis (DTA). The compound crystallizes under monoclinic structure with lattice parameters a = 6.6562 angstrom

}, keywords = {barium oxalate, Crystal growth, FT-IR, TGA/DTA, XRD}, issn = {0232-1300}, doi = {10.1002/crat.200800221}, author = {Dalai, P. V. and Saraf, K. B. and Shah, S.} } @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:000271713300024, title = {Influence of electronic factors on pd-mediated cycloisomerization: a systematic investigation of competitive 6-exo-dig versus 7-endo-dig cyclizations of sugar alkynols}, journal = {Tetrahedron}, volume = {65}, number = {47}, year = {2009}, month = {NOV}, pages = {9819-9832}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {Alkynol cycloisomerization, Bridged bicyclic ketal, Palladium, Sonogashira coupling, Sugar alkynol}, issn = {0040-4020}, doi = {10.1016/j.tet.2009.09.071}, author = {Ramana, C. V. and Induvadana, Boddeti and Srinivas, Burgula and Yadagiri, Kommagalla and Deshmukh, Madhusudhan N. and Gonnade, Rajesh G.} } @article { ISI:000264897200035, title = {Interfacial and physico-chemical properties of polymer-supported CdS center dot ZnS nanocomposites and their role in the visible-light mediated photocatalytic splitting of water}, journal = {Journal of Colloid and Interface Science}, volume = {333}, number = {1}, year = {2009}, month = {MAY}, pages = {263-268}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

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

}, keywords = {CdS center dot ZnS nanocomposites, Photocatalytic activity, Role of microstructural properties, Splitting of water}, issn = {0021-9797}, doi = {10.1016/j.jcis.2009.01.037}, author = {Deshpande, Aparna and Shah, Pallavi and Gholap, Ramkrishna S. and Gupta, Narendra M.} } @article { ISI:000270759600015, title = {LC-UV and LC-MS evaluation of stress degradation behaviour of tenatoprazole}, journal = {Journal of Pharmaceutical and Biomedical Analysis}, volume = {50}, number = {5}, year = {2009}, month = {DEC}, pages = {787-793}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {HPLC, Stability-indicating method, Stress studies, Tenatoprazole, Validation}, issn = {0731-7085}, doi = {10.1016/j.jpba.2009.06.026}, author = {Mahadik, Mahadeo V. and Bhusari, Vidhya K. and Kulkarni, Mahesh J. and Dhaneshwar, Sunil R.} } @article { ISI:000268500500025, title = {Magnesium oxide supported nano-gold: a highly active catalyst for solvent-free oxidation of benzyl alcohol to benzaldehyde by TBHP}, journal = {Catalysis Communications}, volume = {10}, number = {13}, year = {2009}, month = {JUL}, pages = {1738-1742}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Nano-size gold particles deposited on MgO by the homogeneous deposition- precipitation showed very high catalytic activity with nearly 100\% conversion of benzyl alcohol in a short reaction period (0.5 h) and more over showed excellent reusability in the process. Influence of the catalyst support (MgO, CaO, BaO, SrO, Al(2)O(3), Ga(2)O(3) and In(2)O(3)), method of gold deposition, Au loading and catalyst calcination temperature and also that of the reaction conditions (viz. reaction time and temperature) on the benzyl alcohol to benzaldehyde oxidation have been thoroughly investigated. (C) 2009 Elsevier B.V. All rights reserved.

}, keywords = {Alkaline earth oxides, Benzaldehyde, Benzyl alcohol, Gr.IIIa metal oxides, Oxidation}, issn = {1566-7367}, doi = {10.1016/j.catcom.2009.05.020}, author = {Choudhary, Vasant R. and Dumbre, Deepa K.} } @article { ISI:000272896300048, title = {Magnetic phase transition in valence tautomers as polymorphs of 3-iodolawsone: Single crystal X-ray structure, DSC and EPR studies}, journal = {Journal of Molecular Structure}, volume = {938}, number = {1-3}, year = {2009}, month = {DEC}, pages = {328-335}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {3-Iodolawsone, Hydroxynaphthoquinone (HNQ), Hydroxynaphthosemiquinone radical (HNSQ), Magnetic phase transition, Polymorphs, Valence tautomers}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2009.10.005}, author = {Zaware, Santosh B. and Dagade-Waghmode, Shobha and Gonnade, Rajesh G. and Srinivas, Darbha and Rane, Sandhya Y.} } @article { ISI: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:000264969200041, title = {Microwave-assisted synthesis and humidity sensing of nanostructured alpha-Fe2O3}, journal = {Materials Research Bulletin}, volume = {44}, number = {5}, year = {2009}, month = {MAY}, pages = {1179-1182}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {Chemical synthesis, Electrical properties, Nanostructures, Oxides, X-ray diffraction}, issn = {0025-5408}, doi = {10.1016/j.materresbull.2008.09.044}, author = {Deshmukh, Rupali G. and Badadhe, Satish S. and Mulla, Imtiaz S.} } @article { ISI:000266529600001, title = {Nanoscale particles for polymer degradation and stabilization-trends and future perspectives}, journal = {Progress in Polymer Science}, volume = {34}, number = {6}, year = {2009}, month = {JUN}, pages = {479-515}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {Carbon nanotubes, clay, Degradation and stabilization, Nanocomposites, Nanoparticles, Polymer}, issn = {0079-6700}, doi = {10.1016/j.progpolymsci.2009.01.002}, author = {Kumar, Annamalai Pratheep and Depan, Dilip and Tomer, Namrata Singh and Singh, Raj Pal} } @article { ISI:000266524700010, title = {Nanostructured nickel ferrite: a liquid petroleum gas sensor}, journal = {Ceramics International}, volume = {35}, number = {5}, year = {2009}, month = {JUL}, pages = {1793-1797}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

The present investigation deals with the synthesis of nanostructured nickel ferrite (NiFe(2)O(4)) and their liquid petroleum gas-sensing characteristics. The 15-20 nm size nickel ferrite has been synthesized at 700 degrees C by a simple molten-salt route using sodium chloride as grain growth inhibitor. These nanoparticles exhibit significantly high response towards liquid petroleum gas (LPG) in comparison with ethanol vapor, hydrogen sulfide, ammonia and hydrogen. The gas response towards various gases at their 200 ppm concentrations is investigated at 200-450 degrees C. Different characterization techniques have been employed, such as differential thermal analysis, X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM) and high resolution transmission electron microscopy (HRTEM) to study the crystallite size, structure and morphology. The results suggest possibility of utilization of the nanostructured nickel ferrite, without addition of any precious metal ion, as the LPG detector. (c) 2008 Elsevier Ltd and Techna Group S.r.l. All rights reserved.

}, keywords = {Ferrites, nanomaterial, Sensor, Spinels}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2008.10.013}, author = {Darshane, Sonali L. and Suryavanshi, S. S. and Mulla, Imtiaz S.} } @article { ISI:000271819300006, title = {Natural yeast flora of different varieties of grapes used for wine making in India}, journal = {Food Microbiology}, volume = {26}, number = {8}, year = {2009}, month = {DEC}, pages = {801-808}, publisher = {ACADEMIC PRESS LTD- ELSEVIER SCIENCE LTD}, address = {24-28 OVAL RD, LONDON NW1 7DX, ENGLAND}, abstract = {

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

}, keywords = {5.8S-ITS sequence, Identification, Physiological, Wine yeasts}, issn = {0740-0020}, doi = {10.1016/j.fm.2009.05.005}, author = {Chavan, Pradnya and Mane, Sarika and Kulkarni, Girish and Shaikh, Shamim and Ghormade, Vandana and Nerkar, Devidas P. and Shouche, Yogesh and Deshpande, Mukund V.} } @article { ISI:000272797200013, title = {Optical limiting properties of hydrophobic poly(etherimide) membranes embedded with isolated and aggregated gold nanostructures}, journal = {Colloids and Surfaces A-Physicochemical and Engineering Aspects}, volume = {352}, number = {1-3}, year = {2009}, month = {DEC}, pages = {79-83}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A simple method to incorporate spherical or aggregated nanostructures of gold into hydrophobic poly(etherimide) membranes is demonstrated and their comparative nonlinear optical properties are investigated. When excited at 532 nm using laser pulses of 7 ns duration, a reduced transmission behaviour in both the cases, viz., polymers embedded with isolated nanoparticles and their aggregates is observed. This fits to a three-photon type nonlinear absorption process and is attributed to excited state absorption occurring in the nanostructures. Interestingly, the nonlinearity is more prominent in the aggregated nanostructures compared to the spherical nanostructures. These materials are potential candidates for optical limiting applications. (C) 2009 Elsevier B.V. All rights reserved.

}, keywords = {gold nanoparticles, Nanoparticle aggregation, Nonlinear optical properties, Optical limiting, Phase transfer, Polymer nanocomposites}, issn = {0927-7757}, doi = {10.1016/j.colsurfa.2009.10.002}, author = {D{\textquoteright}Britto, Virginia and Sandeep, C. S. Suchand and Philip, R. and Bhagavatula L. V. Prasad} } @article { ISI:000271103500016, title = {Oxidation of benzyl alcohol to benzaldehyde by tert-butyl hydroperoxide over nanogold supported on TiO2 and other transition and rare-earth metal oxides}, journal = {Industrial \& Engineering Chemistry Research}, volume = {48}, number = {21}, year = {2009}, month = {NOV}, pages = {9471-9478}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

}, issn = {0888-5885}, doi = {10.1021/ie801883d}, author = {Choudhary, Vasant R. and Dumbre, Deepa K. and Bhargava, Suresh Kumar} } @article { ISI:000269252700012, title = {Photophysical investigation into the self-organization in pyrene-based urethane methacrylate comb polymer}, journal = {Journal of Physical Chemistry B}, volume = {113}, number = {35}, year = {2009}, month = {SEP}, pages = {11887-11897}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A side chain urethane methacrylate polymer with pendant pyrene units was synthesized and investigated for its self-organizing process in solution by UV-vis and fluorescence spectra and in film by scanning electron microscopy (SEM), transmission electron microscopy (TEM), and fluorescence microscopy. The polymer exhibited excimer emission centered at 476 nm, even at very dilute concentrations (10(-6) M) as a consequence of the polymer design with pendant pyrene units on every side chain. A change in aggregation pattern was observed upon increasing the concentration to 10(-4) M. New red-shifted peaks appeared in the UV-vis absorption spectra and the I(E)/I(M) ratio, and the peak I/peak III ratio showed a break around 10(-4) M, suggesting formation of stable ground state aggregates. This was further confirmed by the SEM, TEM, AFM and fluorescence microscope studies, which showed the formation of vesicles in THF and giant spherical aggregates in THF/H(2)O. The change in pattern of aggregate formation with concentration also coincided with a sudden increase in the intensity of the hydrogen bonded urethane N-H peak with concentration as recorded by solution FT-IR studies in THF.

}, issn = {1520-6106}, doi = {10.1021/jp901398e}, author = {Deepak, V. D. and Asha, S. K.} } @article { ISI:000269287200036, title = {Polymer crystallization in the presence of {\textquoteleft}{\textquoteleft}sticky{\textquoteright}{\textquoteright} additives}, journal = {Journal of Chemical Physics}, volume = {131}, number = {7}, year = {2009}, month = {AUG}, pages = {074905}, publisher = {AMER INST PHYSICS}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {

The effect of {\textquoteleft}{\textquoteleft}sticky{\textquoteright}{\textquoteright} additives (viz., those that have attractive interactions with the polymer) on polymer crystallization, has been investigated by dynamic Monte Carlo (DMC) simulations. Additive-polymer attractive interactions result in a slowing down of the polymer chain diffusivity in the melt state. Our results show that with increasing additive stickiness, polymer crystallinity decreases monotonically, and thinner crystallites form, viz., crystallization is inhibited by the presence of sticky additives. Unusually, the observed {\textquoteleft}{\textquoteleft}specific heat{\textquoteright}{\textquoteright} peak at the phase transition shows nonmonotonic behavior with additive stickiness, and exhibits a maximum for intermediate values of additive stickiness. While the origins of this unexpected behavior are not clear, we show that it correlates with a large interchange between crystalline and amorphous states of the monomers, in the vicinity of the additives. At this intermediate additive stickiness, we also find that crystallization follows a qualitatively different route-crystallinity shows a non-Avrami-like evolution, unlike the case at low or high additive stickiness.

}, keywords = {Additives, amorphous state, crystallisation, crystallites, Diffusion, Monte Carlo methods, polymer melts}, issn = {0021-9606}, doi = {10.1063/1.3174449}, author = {Dasmahapatra, Ashok Kumar and Nanavati, Hemant and Kumaraswamy, Guruswamy} } @article { ISI:000266520400034, title = {Polymer-embedded stannic oxide nanoparticles as humidity sensors}, journal = {Materials Science \& Engineering C-Biomimetic and Supramolecular Systems}, volume = {29}, number = {3}, year = {2009}, month = {APR}, pages = {847-850}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Stannic oxide (SnO(2)) nanoparticles have been suspended in polyvinyl alcohol (PVA) matrix in different PVA: SnO(2) molar ratios ranging from 1:1 to 1:5 using simple chemical route. This suspension was deposited on ceramic substrate and upon drying was carefully detached from the substrate. SnO(2)-embedded self-standing, transparent and flexible thin films were hence synthesized. Transmission electron microscopy (TEM) and Xray diffraction (XRD) techniques show the rutile tetragonal structure of SnO(2) with particle size similar to 5 nm. UV-Visible spectroscopy demonstrates the band gap of 3.9 eV, which does not alter when embedded in polymer. Fourier transform infrared spectroscopy (FTIR) reveals that the properties of SnO(2) do not modify due to incorporation in the PVA matrix. The structures work as excellent humidity sensors at room temperature. For a critical PVA:SnO(2) molar ratio of 1:3, the resistance changes to five times of magnitude in 92\% humidity within fraction of second when compared with resistance at 11\% humidity. The sample regains its original resistance almost instantaneously after being removed from humid chamber. Nanodimensions of SnO(2) particles and percolation mechanism related to transport through polymer matrix and water molecule as a carrier has been used to understand the mechanism. (C) 2008 Elsevier B.V. All rights reserved.

}, keywords = {humidity sensor, Nanoparticles, Polymer, Stannic oxide}, issn = {0928-4931}, doi = {10.1016/j.msec.2008.07.039}, author = {Hatamie, Shadie and Dhas, Vivek V. and Kale, B. B. and Mulla, Imtiaz S. and Kale, Sangeeta N.} } @article { ISI:000264247300034, title = {Reactive extrusion of poly(L-Lactic Acid) with glycidol}, journal = {Journal of Applied Polymer Science}, volume = {112}, number = {3}, year = {2009}, month = {MAY}, pages = {1391-1398}, publisher = {JOHN WILEY \& SONS INC}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

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

}, keywords = {biodegradable, reactive extrusion, Rheology, structure-property relations, Thermal properties}, issn = {0021-8995}, doi = {10.1002/app.29581}, author = {Deenadayalan, E. and Lele, Ashish K. and Balasubramanian, M.} } @article { ISI:000264206200011, title = {Regioselective O-acylation of myo-inositol 1,3,5-orthoesters: dependence of regioselectivity on the stoichiometry of the base}, journal = {Tetrahedron}, volume = {65}, number = {13}, year = {2009}, month = {MAR}, pages = {2703-2710}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A metal mediated unusual 1-3 acyl migration from C4-O to C2-OH of myo-inositol 1,3,5-orthoformate was observed during the alkylation of racemic 4-O-benzoyl-myo-inositol 1,3,5-orthoformate. This has been exploited for the selective esterification of either the C4(6)-OH or the C2-OH of myo-inositol by varying the amount of the base used. While the use of 1 equiv of the base (sodium hydride or potassium tert-butoxide) for the acylation of myo-inositol orthoesters gives the corresponding C4-ester exclusively, the use of two or more equivalents of base for the same reaction gives the C2-ester exclusively. The relatively higher stability of the alkoxide of racemic 2-O-acyl-myo-inositol 1,3,5-orthoester as compared to the alkoxide of 4-O-acyl-myo-inositol 1,3,5-orthoester is suggested to be responsible for the observed isomerization. (c) 2009 Elsevier Ltd. All rights reserved.

}, keywords = {Acylation, Cyclitol, Inositol, Orthoester, Regioselectivity, transesterification}, issn = {0040-4020}, doi = {10.1016/j.tet.2009.01.060}, author = {Sureshan, Kana M. and Devaraj, Subramanian and Shashidhar, Mysore S.} } @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 { ISI:000273100600003, title = {Selective binding of benzoquinone with a Pt-II-cyclophane constructed on the skeleton of N,N {\textquoteleft}-bis(salicylidene)-p-phenylenediamine: synthesis and spectroscopic studies}, journal = {Indian Journal of Chemistry Section A-Inorganic Bio-Inorganic Physical Theoretical \& Analytical Chemistry}, volume = {48}, number = {12}, year = {2009}, month = {DEC}, pages = {1644-1651}, publisher = {NATL INST SCIENCE COMMUNICATION-NISCAIR}, address = {DR K S KRISHNAN MARG, PUSA CAMPUS, NEW DELHI 110 012, INDIA}, abstract = {

The Schiff base NN{\textquoteright}-bis(salicylidene)-p-phenylenediamine has been complexed with Pt(en)Cl-2 and the resulting Pt-II-cyclophane, [Pt(en)L](2)center dot 4PF(6), reacted with phenol, resorcinol, hydroquinone or benzoquinone in DMSO solution. Their binding has been monitored by the variation in the corresponding UV-visible and emission spectral patterns. The binding properties are compared with the earlier reported Zn-II-cyclophane [Zn(bpy)L](2) (bpy = 2,2{\textquoteright}-bipyridine). A few solid adducts of phenol and benzoquinone with the Pt-II-cyclophane complex and hydroquinone as well as that of resorcinol with the Zn-cyclophane have also been synthesized and characterized.

}, keywords = {Coordination chemistry, Cyclophanes, Metallocyclophanes, platinum, Schiff bases}, issn = {0376-4710}, author = {Kumari, Niraj and Prajapati, Rishikesh and Dixit, Mudit and Mishra, Lallan} } @article { ISI:000266188300010, title = {Selective oxidation of aromatic primary alcohols to aldehydes using molybdenum acetylide oxo-peroxo complex as catalyst}, journal = {Tetrahedron Letters}, volume = {50}, number = {24}, year = {2009}, month = {JUN}, pages = {2885-2888}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {Homogenous catalyst, Hydrogen peroxide, Molybdenum complex, Oxidation, Oxo-peroxo, Primary aromatic alcohol}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2009.03.178}, author = {Biradar, Ankush V. and Dongare, Mohan K. and Shubhangi B. Umbarkar} } @article { ISI:000269185000035, title = {Sensitivity enhancement of Si-29 double-quantum dipolar recoupling spectroscopy by Carr-Purcell-Meiboom-Gill acquisition method}, journal = {Chemical Physics Letters}, volume = {478}, number = {4-6}, year = {2009}, month = {AUG}, pages = {287-291}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

An enhancement in the detection sensitivity of dipolar recoupled Si-29 double-quantum magic-angle spinning experiment is shown with a Carr-Purcell-Meiboom-Gill (CPMG) train of pi pulses during the acquisition period. Symmetry-adapted pulse schemes, such as POST-C7 and SR26(4)(11), are used for the double-quantum excitation. Application of POST-C7-CPMG method for framework characterisation is demonstrated in the disordered and catalytically important ZSM-5 molecular sieve. Based on the observed double-quantum dipole-dipole correlations and the known T-site Si connectivities, the assignment of all the signals is made for the orthorhombic phase of the as-synthesised (CN form) material. (C) 2009 Elsevier B. V. All rights reserved.

}, issn = {0009-2614}, doi = {10.1016/j.cplett.2009.07.066}, author = {Goswami, M. and Madhu, Perunthiruthy K. and Dittmer, J. and Nielsen, N. C. and Ganapathy, Subramanian} } @article { ISI: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: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:000271055100016, title = {Stereoselective synthesis of the densely functionalized C1-C9 fragment of amphidinolides C and F}, journal = {Tetrahedron Letters}, volume = {50}, number = {46}, year = {2009}, month = {NOV}, pages = {6276-6279}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {Amphidinolide C and F, Cytotoxic, Tandem dihydroxylation-S(N)2, Wacker oxidation, Wittig reaction}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2009.09.001}, author = {Mohapatra, Debendra K. and Dasari, Pavankumar and Rahaman, Hasibur and Pal, Rita} } @article { ISI: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:000269259100007, title = {Supported nano-gold catalysts for epoxidation of styrene and oxidation of benzyl alcohol to benzaldehyde}, journal = {Topics in Catalysis}, volume = {52}, number = {12}, year = {2009}, month = {NOV}, pages = {1677-1687}, publisher = {SPRINGER/PLENUM PUBLISHERS}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Nano-gold particles supported on different alkaline earth oxides (viz. MgO, CaO, BaO and SrO), Gr. IIIa metal oxides (viz. Al(2)O(3), Ga(2)O(3), In(2)O(3) and Tl(2)O(3)), transition metal oxides (viz. TiO(2), Cr(2)O(3), MnO(2), Fe(2)O(3), CoO(x), NiO, CuO, ZnO, Y(2)O(3) and ZrO(2)), rare earth metal oxides (viz. La(2)O(3), Ce(2)O(3), Nd(2)O(3), Sm(2)O(3), Eu(2)O(3), Tb(2)O(3), Er(2)O(3) and Yb(2)O(3)) and U(3)O(8) [all prepared by depositing gold on corresponding metal oxide support by deposition precipitation (DP) and/or homogeneous deposition precipitation (HDP) method] were evaluated for their catalytic performance in the liquid phase epoxidation of styrene by tert-butyl hydroperoxide (TBHP) to styrene oxide and also in the solvent-free benzyl alcohol-to-benzaldehyde oxidation (by molecular oxygen or TBHP) reactions. For the epoxidation, the catalytic performance (styrene oxide yield) of the most promising nano-gold catalysts prepared by the HDP method was in the following order: Au/MgO \> Au/Tl(2)O(3) \> Au/Yb(2)O(3) \> Au/Tb(2)O(3) \> Au/CaO (or TiO(2)). However, for the oxidation of benzyl alcohol to benzaldehyde by molecular oxygen, the order of choice for the most promising catalysts (based on benzaldehyde yield) was Au/U(3)O(8) \> Au/Al(2)O(3) \> Au/ZrO(2) \> Au/MgO. Whereas, when TBHP was used as an oxidizing agent for the benzyl alcohol oxidation, the order of choice for the most promising catalysts was Au/U(3)O(8) \> Au/MgO \> Au/TiO(2) \> Au/ZrO(2) \> Au/Al(2)O(3). The catalytic performance of a particular supported nano-gold catalyst was thus found to depend on the reaction catalysed by them. Moreover, it is strongly influenced by a number of catalyst parameters, such as the metal oxide support, the method of gold depositon on the support, the gold loading and also on the catalyst calcination temperature. Nano-gold particles-support interactions seem to play an important role in controlling the deposition of gold ( amount of gold deposited and size and morphology of gold particles), formation of different surface gold species (Au(0), Au(1+) and Au(3+)) and electronic properties of gold particles and, consequently, control the catalytic performance (both the activity and selectivity) of the supported nano-gold catalysts in the reactions. The nano-gold catalysts prepared by the HDP method showed much better catalytic performance than those prepared by the DP, coprecipitation or impregnation method; in general, the HDP method provided supported gold catalysts with much higher gold loading and/or smaller size gold particles than that achieved by the DP and other methods.

}, keywords = {Benzaldehyde, Benzyl alcohol, epoxidation, Metal oxide supports, Nano-gold catalysts, Oxidation, styrene, Styrene oxide}, issn = {1022-5528}, doi = {10.1007/s11244-009-9306-1}, author = {Choudhary, Vasant R. and Dumbre, Deepa K.} } @article { ISI:000271136800002, title = {Sustainable green catalysis by supported metal nanoparticles}, journal = {Chemical Record}, volume = {9}, number = {4}, year = {2009}, month = {AUG}, pages = {224-235}, publisher = {JOHN WILEY \& SONS INC}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

The recent progress of sustainable green catalysis by supported metal nanoparticles is described. The template synthesis of metal nanoparticles in ordered porous materials is studied for the rational design of heterogeneous catalysts capable of high activity and selectivity. The application of these materials in green catalytic processes results in a unique activity and selectivity arising from the concerted effect of metal nanoparticles and supports. The high catalytic performances of Pt nanoparticles in mesoporous silica is reported Supported metal catalysts have also been applied to biomass conversion by heterogeneous catalysis Additionally, the degradation of cellulose by supported metal catalysts, in which bifunctional catalysis of acid and metal plays the key role for the hydrolysis and reduction of cellulose, is also reported. (C) 2009 The Japan Chemical Journal Forum and Wiley Periodicals, Inc. Chem Rec 9: 224-235: 2009: Published online in Wiley InterScience (www.intersciencewiley.corn) DOI 10.1002/tcr.200900004

}, keywords = {Biomass, cellulose, CO oxidation, Mesoporous silica, supported metal catalyst}, issn = {1527-8999}, doi = {10.1002/tcr.200900004}, author = {Fukuoka, Atsushi and Dhepe, Paresh Laxmikant} } @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 {39}, title = {Synthesis of hydroxy-functional PMMA macromonomers by anionic polymerization}, journal = {Journal of Macromolecular Science Part A-Pure and Applied Chemistry}, volume = {46}, number = {10}, year = {2009}, month = {SEP}, pages = {PII 914494634}, publisher = {TAYLOR \& FRANCIS INC}, type = {Article}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {

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

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

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

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

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

}, keywords = {Aniline, Lewis acid, Methanol, N-methylaniline, Sn-MFI}, issn = {1011-372X}, doi = {10.1007/s10562-009-0143-4}, author = {Niphadkar, P. S. and Joshi, P. N. and Gurav, H. R. and Deshpande, Suvarna S. and Bokade, Vijay V.} } @article { ISI:000267070700082, title = {Tethered aminohydroxylation route to L-arabino-[2R,3S,4R] and L-xylo-[2R,3S,4S]-C-18-phytosphingosines}, journal = {Tetrahedron Letters}, volume = {50}, number = {26, SI}, year = {2009}, month = {JUL}, pages = {3425-3427}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A concise and highly efficient synthesis of L-arabino-[2R,3S,4R] and L-xylo-[ 2R,3S,4S]-C-18-phytosphingosines has been achieved. The synthetic strategy features the Sharpless kinetic resolution and tethered aminohydroxylation as the key steps. (C) 2009 Elsevier Ltd, All rights reserved.

}, keywords = {Phytosphingosine, Regioselectivity, Sharpless asymmetric kinetic resolution, Sphingolipids, stereoselectivity, Tethered aminohydroxylation}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2009.02.173}, author = {Dubey, Abhishek and Kumar, Pradeep} } @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 {43208, title = {Total synthesis of (+/-)-petasitolone and (+/-)-fukinone}, journal = {Synthesis-Stuttgart}, year = {2009}, month = {NOV}, pages = {3833-3837}, abstract = {An efficient, general, and fully stereocontrolled synthesis of eremophilane-type compounds is disclosed. The approach features a highly diastereoselective Diels-Alder/aldol sequence to give a common intermediate, which is subsequently exploited to produce (+/-)-petasitolone and (+/-)-fukinone in a short sequence.}, doi = {10.1055/s-0029-1218150}, author = {Pasikanti, Srinivas and Reddy, D. Srinivasa and Iqbal, Javed and Dubey, Pramod Kumar and Das, Parthasarathi} } @article { ISI:000267531100032, title = {Transesterification of sunflower oil catalyzed by flyash-based solid catalysts}, journal = {Fuel}, volume = {88}, number = {9}, year = {2009}, month = {SEP}, pages = {1773-1778}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

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

}, keywords = {Flyash, heterogeneous catalyst, Methyl ester, Sunflower oil, transesterification}, issn = {0016-2361}, doi = {10.1016/j.fuel.2009.04.004}, author = {Kotwal, M. S. and Niphadkar, P. S. and Deshpande, Suvarna S. and Bokade, Vijay V. and Joshi, P. N.} } @article {42800, title = {Transfer of technology (ToT) document of polyimide binder resins}, year = {2009}, month = {JAN}, author = {Ponrathnam, Surendra and Chelanattukizhakkemadath, Raman Rajan and Dwivedi, Mayank and Chavan. N. N. and Qureshi, Moham and Bhongale, Sunil Sitaram and Rao, Locanindi Hari Sarvothama and Dhansekharan, Janakiraman and Mohan, S. Krishna and Deokar, Sarika Babasaheb and Momin, Mohasin Shamshuddin} } @article { ISI: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:000284342100003, title = {Adsorption of fluoride from aqueous solution by alumina of alkoxide nature: batch and continuous operation}, journal = {Desalination}, volume = {264}, number = {1-2}, year = {2010}, month = {DEC}, pages = {15-23}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

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

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

}, author = {Dwivedi, Mayank and Rao, Locanindi Hari Sarvothama and Reddy, Krishna Mohan Srinivasulu and Dhanasekharan, Janakiraman and Rao, Bevara Madhusudana and Kumar, Sriperambudur Rajesh and Ponrathnam, Surendra and Rajan, Chelanattukizhakkemadath Raman and Deokar, Sarika Babasaheb and Mulani, Khudbudin Baban and Ghorpade, Ravindra V. and Bhongale, Sunil Sitaram and Nalawade, Archana Chetan and Sontakke, Kalpana Vishwanathrao and Shaikh, Wasif Abdul Lateef and Chavan, Nayaku and Qureshi, Mohammed Shadbar and Dhoble, Deepa Arun and Mule, Smita Atmaram and Bhosle, Sonali Madhavrao and Momin, Mohasin Shamshuddin} } @article {42798, title = {Amino-phenol-formaldehyde resins by in-situ generation of catalyst}, number = {2536/DEL}, year = {2010}, month = {JAN}, author = {Dwivedi, Mayank and Rao, Locanindi Hari Sarvothama and Reddy, Krishna Mohan Srinivasulu and Dhanasekharan, Janakiraman and Rao, Bevara Madhusudana and Kumar, Sriperambudur Rajesh and Ponrathnam, Surendra and Chelanattukizhakkemadath, Raman Rajan and Tayal, Rajivkumar and Qureshi, Moham} } @article { ISI:000279803700017, title = {Antibacterial \& antiplasmid activities of Helicteres isora L.}, journal = {Indian Journal of Medical Research}, volume = {132}, number = {1}, year = {2010}, month = {JUL}, pages = {94-99}, publisher = {INDIAN COUNCIL MEDICAL RES}, address = {PO BOX 4911 ANSARI NAGAR, NEW DELHI 110029, INDIA}, abstract = {

Background \& objectives: The multiple drug resistance (MDR) is a serious health problem and major challenge to the global drug discovery programmes. Most of the genetic determinants that confer resistance to antibiotics are located on R-plasmids in bacteria. The present investigation was undertaken to investigate the ability of organic extract of the fruits of Helicteres isora to cure R-plasmids from certain clinical isolates. Methods: Active fractions demonstrating antibacterial and antiplasmid activities were isolated from the acetone extracts of shade dried fruits of H. isora by bioassay guided fractionation. Minimal inhibitory concentration (MIC) of antibiotics and organic extracts was determined by agar dilution method. Plasmid curing activity of organic fractions was determined by evaluating the ability of bacterial colonies (pre treated with organic fraction for 18 h) to grow in the presence of antibiotics. The physical loss of plasmid DNA in the cured derivatives was further confirmed by agarose gel electrophoresis. Results: The active fraction did not inhibit the growth of either the clinical isolates or the strains harbouring reference plasmids even at a concentration of 400 mu g/ml. However, the same fraction could cure plasmids from Enterococcus faecalis, Escherichia coli, Bacillus cereus and E. coli (RP4) at curing efficiencies of 14, 26, 22 and 2 per cent respectively. The active fraction mediated plasmid curing resulted in the subsequent loss of antibiotic resistance encoded in the plasmids as revealed by antibiotic resistance profile of cured strains. The physical loss of plasmid was also confirmed by agarose gel electrophoresis. Interpretation \& conclusions: The active fraction of acetone extract of H. isora fruits cured R-plasmids from Gram-positive and Gram-negative clinical isolates as well as reference strains. Such plasmid loss reversed the multiple antibiotic resistance in cured derivatives making them sensitive to low concentrations of antibiotics. Acetone fractions of H. isora may be a source to develop antiplasmid agents of natural origin to contain the development and spread of plasmid borne multiple antibiotic resistance.

}, keywords = {antibacterial activity, Antibiotic resistance, antiplasmid activity, Helicteres isora, multiple drug resistance, plasmid-curing}, issn = {0971-5916}, author = {Shriram, Varsha and Jahagirdar, Sheetal S. and Latha, C. and Kumar, Vinay and Dhakephalkar, Prashant K. and Rojatkar, Supada and Shitole, Mahadeo G.} } @article {42680, title = {Bacterial synthesis of phtocatalytically active and biocompatible TiO2 and ZnO nanoparticles}, journal = {International Journal of Green Nanotechnology: Physics and Chemistry}, volume = {2}, year = {2010}, month = {DEC}, pages = {80-99}, abstract = {

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

}, keywords = {Biosynthesis, genotoxicity, Nanoparticles, Nanotoxicity, Photocatalysis}, doi = {10.1080/19430876.2010.532459}, author = {Singh, Sanjay and Britto, Virginia D. and Bharde, Atul A. and Sastry, Murali and Dhawan, Alok and Bhagavatula L. V. Prasad} } @article {42799, title = {Beaded cross linked polymers containing tert-amino functional group moities}, number = {2537/DEL}, year = {2010}, month = {DEC}, author = {Dwivedi, Mayank and Rao, Locanindi Hari Sarvothama and Reddy, Krishna Mohan Srinivasulu and Dhanasekharan, Janakiraman and Rao, Bevara Madhusudana and Kumar, Sriperambudur Rajesh and Ponrathnam, Surendra and Chelanattukizhakkemadath, Raman Rajan and Tayal, Rajivkumar and Qureshi, Moham} } @article { ISI:000281161700013, title = {Catalytic asymmetric transfer hydrogenation of ketones using [Ru(p-cymene)Cl-2](2) with chiral amino alcohol ligands}, journal = {Catalysis Letters}, volume = {138}, number = {3-4}, year = {2010}, month = {SEP}, pages = {231-238}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

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

}, keywords = {Amino alcohol ligand, Asymmetric transfer hydrogenation, Ketones, Ru catalyst}, issn = {1011-372X}, doi = {10.1007/s10562-010-0408-y}, author = {Deshpande, Sudhindra H. and Kelkar, Ashutosh A. and Gonnade, Rajesh G. and Shingote, Savita K. and Chaudhari, Raghunath V.} } @article { ISI:000284515800005, title = {Combined experimental and density functional theory study on the Pd-mediated cycloisomerization of o-alkynylnitrobenzenes - synthesis of isatogens and their evaluation as modulators of ROS-mediated cell death}, journal = {European Journal of Organic Chemistry}, number = {31}, year = {2010}, month = {NOV}, pages = {5955-5966}, publisher = {WILEY-V C H VERLAG GMBH}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {

Highly selective cycloisomerization of o-alkynylnitrobenzenes, leading to isatogens, has been achieved by employment of a Pd-II complex. This reaction is very general and functional-group-tolerant. The possible mechanism of this reaction was investigated with the help of DFT calculations. Three possible pathways - namely, the addition of the nitro group either in (i) 5-exo-dig or (ii) 6-endo-dig mode and (iii) halopalladation - and subsequent intramolecular events have been considered and studied in detail. These investigations revealed that pathway (i) is the favored route to isatogen formation. A preliminary screening of the available isatogens reveals the 2-alkylisatogens to be novel ROS scavengers capable of inhibiting cellular necroptosis.

}, keywords = {Anthranil, cyclization, Density functional calculations, isatogens, Nitro-alkyne cycloisomerization, Palladium}, issn = {1434-193X}, doi = {10.1002/ejoc.201000769}, author = {Ramana, Chepuri V. and Patel, Pitambar and Vanka, Kumar and Miao, Benchun and Degterev, Alexei} } @article { ISI:000280605900013, title = {Coupling growth-factor engineering with nanotechnology for therapeutic angiogenesis}, journal = {Proceedings of the National Academy of Sciences of the United States of America}, volume = {107}, number = {31}, year = {2010}, month = {AUG}, pages = {13608-13613}, publisher = {NATL ACAD SCIENCES}, address = {2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA}, abstract = {

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

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

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

}, keywords = {CdS nanocrystallites, Interfacial defects, Photocatalysis, Structural sensitivity, water splitting}, issn = {0360-3199}, doi = {10.1016/j.ijhydene.2010.01.134}, author = {Deshpande, Aparna and Gupta, Narendra M.} } @article { ISI:000274207800015, title = {Cytotoxic and genotoxic assessment of glycolipid-reduced and -capped gold and silver nanoparticles}, journal = {New Journal of Chemistry}, volume = {34}, number = {2}, year = {2010}, month = {NOV}, pages = {294-301}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A systematic cytotoxic and genotoxic evaluation of glycolipid-conjugated silver and gold nanoparticles is carried out. These glycolipid nanoparticle conjugates are obtained by exploiting the reductive capability of a class of glycolipids called sophorolipids that play the role of capping agent as well. Further, when tested for their cytotoxicity and genotoxicity on HepG2 cells, these nanoparticles are found to be cytocompatible up to 100 mu M metal concentrations. Of the two metallic systems investigated, gold nanoparticles are found to be more cytocompatible than the same concentrations of silver nanoparticles. Similarly, it is also demonstrated that at 100 mu M, silver nanoparticles cause more DNA damage compared to gold nanoparticles of similar concentrations.

}, issn = {1144-0546}, doi = {10.1039/b9nj00277d}, author = {Singh, Sanjay and D{\textquoteright}Britto, Virginia and Prabhune, Asmita and Ramana, C. V. and Dhawan, Alok and Bhagavatula L. V. Prasad} } @article { ISI:000276270100009, title = {Differential accumulation of gliadin proteins in wheat grain of RILs grown at two different agroclimatic conditions and their effect on loaf volume}, journal = {Australian Journal of Crop Science}, volume = {4}, number = {1}, year = {2010}, month = {JAN}, pages = {63-67}, publisher = {SOUTHERN CROSS PUBL}, address = {8 91-93 MCKENZIE ST, LISMORE, NSW 2480, AUSTRALIA}, abstract = {

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

}, keywords = {loaf volume (Lv), RP-HPLC, Wheat protein}, issn = {1835-2693}, author = {Elangovan, M. and Dholakia, Bhushan B. and Gaikwad, S. M. and Gupta, V. S.} } @article { ISI:000284386100046, title = {Direct transfer of micro-molded electrodes for enhanced mass transport and water management in PEMFC}, journal = {Electrochemistry Communications}, volume = {12}, number = {11}, year = {2010}, month = {NOV}, pages = {1638-1641}, publisher = {ELSEVIER SCIENCE INC}, address = {360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA}, abstract = {

Soft lithography technique is used to micropattern the electrodes on the electrolyte membrane of polymer electrolyte fuel cell (PEMFC) in order to alleviate the issues due to poor water management and inadequate reactant distribution in the fuel cell environment. Membrane electrode assembly with the micropatterned electrode has shown an increase in power density at a higher temperature as well as at a higher relative humidity when compared to a flat electrode. Consistency in cell performance is observed in the case of micropatterned electrodes. (C) 2010 Elsevier B.V. All rights reserved.

}, keywords = {Bipolar plate-less PEM fuel cell, Micropatterned electrodes, Microtransfer molding, Soft lithography}, issn = {1388-2481}, doi = {10.1016/j.elecom.2010.09.015}, author = {Deshmukh, Ashvini B. and Kale, Vinayak S. and Dhavale, Vishal M. and Sreekumar, K. and Vijayamohanan, K. and Shelke, Manjusha 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:000284101100028, title = {Dynamic study of N {\textquoteleft} N-dimethylparanitroaniline encapsulated in silicalite-1 matrix using neutron spin-echo spectroscopy}, journal = {European Physical Journal-Special Topics}, volume = {189}, number = {1}, year = {2010}, month = {OCT}, pages = {279-284}, publisher = {SPRINGER HEIDELBERG}, address = {TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY}, abstract = {

The present work focuses on the dynamic studies of N{\textquoteright}N-dimethyl-paranitroaniline (dmpNA) encapsulated in silicalite zeolite. Quasielastic neutron scattering (QENS) experiments are carried out using neutron spin-echo technique. Polarisation of the scattered neutron beam is measured at carefully chosen values of Q = 0.35, 0.9, 1.1 and 1.45 angstrom(-1) at fixed T = 298K and at fixed Q = 0.9 angstrom(-1) at 150, 200, 250 and 298 K. This gives insight into the motion and the related activation energy of the guest dmpNA molecule. The quasielastic signal observed in the present system within the time range considered is due to fast local rotational motions of protons of the end methyl groups. The results are in good agreement with the dynamics of methyl group rotations reported in the literature by back-scattering QENS technique.

}, issn = {1951-6355}, doi = {10.1140/epjst/e2010-01333-9}, author = {Bhange, Deu S. and Dejoie, C. and Porcher, F. and Malikova, N. and Martinetto, P. and Dooryhee, E. and Anne, M.} } @article { ISI:000286305100010, title = {Effect of leakage current and dielectric constant on single and double layer oxides in MOS structure}, journal = {Thin Solid Films}, volume = {519}, number = {5, SI}, year = {2010}, note = {37th International Conference on Metallurgical Coatings and Thin Films, San Diego, CA, APR 26-30, 2010}, month = {DEC}, pages = {1530-1535}, publisher = {Amer Vacuum Soc, Adv Surface Engn Div}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

MOS structure of Al/Al2O3/n-Si, Al/TiO2/n-Si and Al/Al2O3/TiO2/n-Si was obtained by deposition of Al2O3 and TiO2 on silicon substrate by RF Magnetron Sputtering system. The total thickness of the oxide layer similar to 40 +/- 5 nm in the MOS structure was kept constant. Samples were characterized by X-Ray diffraction (XRD). X-Ray photoelectron spectroscopy (XPS), Impedance analyzer and Current-voltage (J-V) characteristics. The variations in the dielectric constant and tan 8 of the MOS capacitor in the frequency range of 1000Hz-1MHz were measured by impedance analyzer. The variation in dielectric constant of the Al/Al2O3/TiO2/n-Si multilayer compared to single layer of Al/Al2O3/n-Si and Al/TiO2/n-Si is due to high probability of defects, lattice mismatch and interface interactions. The steep rise of Tan 6 values in the Al/Al2O3/TiO2/n-Si structure is due to the resonance effect of both Al2O3 and TiO2 layers. The leakage current mechanisms of MOS structures were extracted from Schottky coefficient and Poole-Frenkel coefficient. Theoretical values of Schottky coefficients (beta(SC)) and Poole-Frenkel coefficients (beta(PF)) for each sample were estimated using the real part of the dielectric constant. The experimental values were calculated from J-V characteristics and compared with theoretical values. The appropriate model has been proposed. It was found that Schottky and Poole-Frenkel mechanisms are applicable at low and high field respectively for all MOS structures. The combination of Al/Al2O3/TiO2/n-Si is found to be a promising structure with high dielectric constant and low leakage current suitable for MOS devices. (C) 2010 Elsevier B.V. All rights reserved.

}, keywords = {Al2O3, dielectric constant, Leakage current, MOS device, Poole-Frenkel emission, Schottky emission, TiO2}, issn = {0040-6090}, doi = {10.1016/j.tsf.2010.08.089}, author = {Laha, Pinaki and Panda, A. B. and Dahiwale, S. and Date, Kalyani S. and Patil, K. R. and Barhai, P. K. and Das, A. K. and Banerjee, Indrani and Mahapatra, S. K.} } @article { 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:000284326800032, title = {Effect of sub-lethal concentrations of insect growth regulator, lufenuron on larval growth and development of Aedes aegypti}, journal = {Current Science}, volume = {99}, number = {9}, year = {2010}, month = {NOV}, pages = {1256-1259}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

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

}, keywords = {Aedes aegypti, larval growth and development, lufenuron, sub-lethal concentration}, issn = {0011-3891}, author = {Salokhe, S. G. and Mukherjee, Samindra N. and Deshpande, S. G. and Ghule, V. P. and Mathad, J. R.} } @article { ISI:000284814600017, title = {Efficient heterogeneous catalytic system for chemoselective hydrogenation of unsaturated ketones in aqueous medium}, journal = {Polyhedron}, volume = {29}, number = {17}, year = {2010}, month = {NOV}, pages = {3262-3268}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A highly chemoselective and green heterogeneous catalytic system of immobilized Ru(II)-phenanthroline complexes on amino functionalised MCM-41 material for the chemoselective hydrogenation of unsaturated ketones to unsaturated alcohols is demonstrated using water as a solvent The XRD and FTIR spectra show the highly ordered hexagonal nature of the MCM-41 even after encapsulation of the ruthenium complex The complex retains its configuration after anchoring as was confirmed by FTIR and UV-Vis analysis The detailed reaction parametric effect was studied for the hydrogenation of 3 methylpent-3-en-2-one to achieve complete conversion up to \>99\% chemoselectivity of 3-methylpent-3-en-2 ol The anchored heterogeneous catalysts were recycled effectively and reused five times with marginal changes in activity and selectivity The use of water as a solvent not only afforded high activity for the hydroge nation reaction compared to organic solvents but also afforded a green process Crown Copyright (C) 2010 Published by Elsevier Ltd All rights reserved

}, keywords = {1 10 Phenanthroline, alpha beta Unsaturated ketone, Chemoselective hydrogenation, mesoporous materials, ruthenium}, issn = {0277-5387}, doi = {10.1016/j.poly.2010.09.006}, author = {Deshmukh, Amit A. and Kinage, Anil K. and Kumar, Rajiv and Meijboom, Reinout} } @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 {43206, title = {Efficient synthesis of varenicline}, journal = {Tetrahedron Letters}, volume = {51}, year = {2010}, month = {JAN}, pages = {151-152}, abstract = {Synthesis of varenicline the antismoking drug has been achieved in six steps with 10\% overall yield. A Diels-Alder reaction, oxidative cleavage of an olefin and reductive amination remain as key steps in the synthesis (C) 2009 Elsevier Ltd. All rights reserved.}, doi = {10.1016/j.tetlet.2009.10.107}, author = {Pasikanti, Srinivas and Reddy, D. Srinivasa and Venkatesham, B. and Dubey, P. K. and Iqbal, Javed and Das, Parthasarathi} } @article { ISI:000285311000016, title = {Enantio- and diastereocontrolled total synthesis of (+)-strictifolione}, journal = {European Journal of Organic Chemistry}, number = {36}, year = {2010}, month = {DEC}, pages = {6993-7004}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {

A concise and practical enantioselective synthesis of (+)-strictifolione has been achieved in high diastereomeric excess using Jacobsen{\textquoteright}s hydrolytic kinetic resolution, proline-catalyzed sequential alpha-aminoxylation and Horner-Wadsworth-Emmons olefination of aldehyde and cross olefin/ring-closing metathesis as the key steps.

}, keywords = {Asymmetric synthesis, Hydrolytic kinetic resolution, lactones, Natural products, organocatalysis, Ring-closing metathesis, Total synthesis}, issn = {1434-193X}, doi = {10.1002/ejoc.201001221}, author = {Kumar, Pradeep and Pandey, Menaka and Gupta, Priti and Naidu, S. Vasudeva and Dhavale, Dilip D.} } @article {43205, title = {Enantiospecific synthesis of sex pheromone of the obscure mealybug from pantolactone via tandem conjugate addition/cyclization}, journal = {Tetrahedron Letters}, volume = {51}, year = {2010}, month = {OCT}, pages = {5291-5293}, abstract = {An efficient synthesis of an enantiomer of insect{\textquoteright}s natural pheromone is reported starting from chiral pool D-(-)-pantolactone. Highly stereoselective tandem conjugate addition/cyclization sequence and hydrogenation of exocyclic double bond are the key steps in the present synthesis. (C) 2010 Elsevier Ltd. All rights reserved.}, doi = {10.1016/j.tetlet.2010.07.166}, author = {Hajare, Atul K. and Datrange, Laxmikant S. and Vyas, Samir and Bhuniya, Debnath and Reddy, D. Srinivasa} } @article { ISI:000283216900029, title = {Enhancement of anisotropic conductivity, elastic, and dielectric constants in a liquid crystal-gold nanorod system}, journal = {Applied Physics Letters}, volume = {97}, number = {15}, year = {2010}, month = {OCT}, pages = {151913}, publisher = {AMER INST PHYSICS}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {

We report electrical conductivity (sigma), dielectric constant (epsilon) and the elastic constant measurements in a nematic liquid crystal (LC) doped with small concentrations of gold nanorods. This LC-nanoparticle complex, shows not only orders of magnitude higher sigma, but also stabilizes its anisotropy. The epsilon data suggests an increased ordering in the nematic phase, and an improved antiparallel correlation of the molecules in the isotropic phase. Surprisingly, an anisotropic enhancement of the Frank elasticity is also seen. We suggest a possible electro/magnetomechanical conductivity switch and also provide explanations based on the aspect ratio of the nanoparticles vis-a-vis the LC molecules. (c) 2010 American Institute of Physics. [doi:10.1063/1.3499744]

}, issn = {0003-6951}, doi = {10.1063/1.3499744}, author = {Sridevi, S. and Prasad, S. Krishna and Nair, Geetha G. and D{\textquoteright}Britto, Virginia and Bhagavatula L. V. Prasad} } @article { ISI:000278798900006, title = {Expression profiling of various genes during the fruit development and ripening of mango}, journal = {Plant Physiology and Biochemistry}, volume = {48}, number = {6}, year = {2010}, month = {JUN}, pages = {426-433}, publisher = {ELSEVIER FRANCE-EDITIONS SCIENTIFIQUES MEDICALES ELSEVIER}, address = {23 RUE LINOIS, 75724 PARIS, FRANCE}, abstract = {

Mango (Mangifera indica L. cv. Alphonso) development and ripening are the programmed processes; conventional indices and volatile markers help to determine agronomically important stages of fruit life (fruit-setting, harvesting maturity and ripening climacteric). However, more and precise markers are required to understand this programming; apparently, fruit{\textquoteright}s transcriptome can be a good source of such markers. Therefore, we isolated 18 genes related to the physiology and biochemistry of the fruit and profiled their expression in developing and ripening fruits, flowers and leaves of mango using relative quantitation PCR. In most of the tissues, genes related to primary metabolism, abiotic stress, ethylene response and protein turnover showed high expression as compared to that of the genes related to flavor production. Metallothionin and/or ethylene-response transcription factor showed highest level of transcript abundance in all the tissues. Expressions of mono- and sesquiterpene synthases and 14-3-3 lowered during ripening; whereas, that of lipoxygenase, ethylene-response factor and ubiquitin-protein ligase increased during ripening. Based on these expression profiles, flower showed better positive correlation with developing and ripening fruits than leaf. Most of the genes showed their least expression on the second day of harvest, suggesting that harvesting signals significantly affect the fruit metabolism. Important stages in the fruit life were clearly indicated by the significant changes in the expression levels of various genes. These indications complemented those from the previous analyses of fruit development, ripening and volatile emission, revealing the harmony between physiological, biochemical and molecular activities of the fruit. (C) 2010 Elsevier Masson SAS. All rights reserved.

}, keywords = {Mangifera indica, Stress response, Terpene metabolism, Transcriptome analysis}, issn = {0981-9428}, doi = {10.1016/j.plaphy.2010.02.012}, author = {Pandit, Sagar S. and Kulkarni, Ram S. and Giri, Ashok P. and Koellner, Tobias G. and Degenhardt, Joerg and Gershenzon, Jonathan and Gupta, Vidya S.} } @article { ISI:000277129300005, title = {Facile synthesis of N-substituted maleimides}, journal = {Indian Journal of Chemistry Section B-Organic Chemistry Including Medicinal Chemistry}, volume = {49}, number = {4}, year = {2010}, month = {APR}, pages = {487-488}, publisher = {COUNCIL SCIENTIFIC \& INDUSTRIAL RES}, address = {ANUSANDHAN BHAWAN, 2 RAFI MARG, NEW DELHI, 110001, INDIA}, abstract = {

A simple and efficient method for the synthesis of N-substituted malemides from the corresponding maleamie acids under the phase transfer catalysis has been described

}, keywords = {Maleamic acids, maleimides, phase transfer catalysis, synthesis}, issn = {0376-4699}, author = {Deshpande, Sunita R. and Maybhate, Shailaja P. and Likhite, Anjali P. and Chaudhary, Preeti M.} } @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:000278451000017, title = {Formal synthesis of (+/-)-camptothecin via tricyclic lactone as key synthon}, journal = {Tetrahedron Letters}, volume = {51}, number = {23}, year = {2010}, month = {JUN}, pages = {3099-3101}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Formal synthesis of (+/-)-camptothecin via CDE tricyclic lactone employing tandem Michael addition, Dieckmann condensation and addition-elimination reaction as key steps starting from glycinate is described. (C) 2010 Elsevier Ltd. All rights reserved.

}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2010.04.019}, author = {Chavan, Subhash P. and Dhawane, Abasaheb N. and Kalkote, Uttam R.} } @article { ISI:000283602000008, title = {General and concise asymmetric synthesis of sphingosine, safingol and phytosphingosines via tethered aminohydroxylation}, journal = {Organic \& Biomolecular Chemistry}, volume = {8}, number = {22}, year = {2010}, month = {SEP}, pages = {5074-5086}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A novel, practical and efficient enantioselective synthesis of sphingoid bases, L-threo-[2S,3S]-sphinganine (safingol), L-threo-[2S,3S]-sphingosine, L-arabino-[2R,3S,4R] and L-xylo-[2R,3S,4S]-C(18)-phytosphingosine is described. The synthetic strategy features the Sharpless kinetic resolution and tethered aminohydroxylation (TA) as the key steps.

}, issn = {1477-0520}, doi = {10.1039/c0ob00117a}, author = {Kumar, Pradeep and Dubey, Abhishek and Puranik, Vedavati G.} } @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:000279843200010, title = {Harnessing structure-activity relationship to engineer a cisplatin nanoparticle for enhanced antitumor efficacy}, journal = {Proceedings of the National Academy of Sciences of the United States of America}, volume = {107}, number = {28}, year = {2010}, month = {JUL}, pages = {12435-12440}, publisher = {NATL ACAD SCIENCES}, address = {2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA}, abstract = {

Cisplatin is a first line chemotherapy for most types of cancer. However, its use is dose-limited due to severe nephrotoxicity. Here we report the rational engineering of a novel nanoplatinate inspired by the mechanisms underlying cisplatin bioactivation. We engineered a novel polymer, glucosamine-functionalized polyisobutylene-maleic acid, where platinum (Pt) can be complexed to the monomeric units using a monocarboxylato and an O {\textendash}\> Pt coordinate bond. We show that at a unique platinum to polymer ratio, this complex self-assembles into a nanoparticle, which releases cisplatin in a pH-dependent manner. The nanoparticles are rapidly internalized into the endolysosomal compartment of cancer cells, and exhibit an IC50 (4.25 + 0.16 mu M) comparable to that of free cisplatin (3.87 +/- 0.37 mu M), and superior to carboplatin (14.75 +/- 0.38 mu M). The nanoparticles exhibited significantly improved antitumor efficacy in terms of tumor growth delay in breast and lung cancers and tumor regression in a K-ras(LSL/+)/Pten(fl/fl) ovarian cancer model. Furthermore, the nanoparticle treatment resulted in reduced systemic and nephrotoxicity, validated by decreased biodistribution of platinum to the kidney as quantified using inductively coupled plasma spectroscopy. Given the universal need for a better platinate, we anticipate this coupling of nanotechnology and structure-activity relationship to rationally reengineer cisplatin could have a major impact globally in the clinical treatment of cancer.

}, keywords = {cancer, chemotherapy, nanomedicine}, issn = {0027-8424}, doi = {10.1073/pnas.1007026107}, author = {Paraskar, Abhimanyu S. and Soni, Shivani and Chin, Kenneth T. and Chaudhuri, Padmaparna and Muto, Katherine W. and Berkowitz, Julia and Handlogten, Michael W. and Alves, Nathan J. and Bilgicer, Basar and Dinulescu, Daniela M. and Mashelkar, Raghunath Anant and Sengupta, Shiladitya} } @article { ISI:000285772600015, title = {Heterogenized Ru(II) phenanthroline complex for chemoselective hydrogenation of diketones under biphasic aqueous medium}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {333}, number = {1-2}, year = {2010}, month = {DEC}, pages = {114-120}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The chemoselective hydrogenation of acetylacetone to 4-hydroxypentan-2-one over immobilized ruthenium phenanthroline metal complexes in amino functionalized MCM-41 in biphasic aqueous reaction medium was investigated. The catalyst was characterized by XRD, TEM, surface analysis, FT-IR and UV-vis to understand the morphology, complex geometry, and XPS such that the oxidation state of the metal complex inside the MCM-41 framework could be understood. The use of water as a solvent, not only gives high activity and selectivity for hydrogenation of acetylacetone, but also gives a path for an environmentally safer process. The optimizations of ligand, metal to ligand ratio, the choice of solvent and other reaction parameters were studied in detail. The heterogeneous catalytic system gave a higher degree of chemoselectivity (99\%) towards 4-hydroxypentan-2-one as compared to homogeneous catalyst when hydrogenation was carried out using water as a solvent. The immobilized ruthenium-phenanthroline complex was easily separated and reused. (C) 2010 Elsevier B.V. All rights reserved.

}, keywords = {4-Hydroxypentan-2-one, acetylacetone, Chemoselective, Diketone, Hydrogenation, Phenanthroline, ruthenium, Water}, issn = {1381-1169}, doi = {10.1016/j.molcata.2010.10.005}, author = {Deshmukh, Amit A. and Kinage, Anil K. and Kumar, Rajiv and Meijboom, Reinout} } @article { ISI:000281129100046, title = {High pt utilization electrodes for polymer electrolyte membrane fuel cells by dispersing pt particles formed by a preprecipitation method on carbon {\textquoteleft}{\textquoteleft}polished{\textquoteright}{\textquoteright} with polypyrrole}, journal = {Journal of Physical Chemistry C}, volume = {114}, number = {34}, year = {2010}, month = {SEP}, pages = {14654-14661}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Pt utilization on carbon black (CB) has been significantly improved by initially utilizing polypyrrole (PPy) as a moiety to {\textquoteleft}{\textquoteleft}polish{\textquoteright}{\textquoteright} the carbon surface and subsequently by dispersing Pt particles formed by a preprecipitation process to minimize their migration into the geometrically restricted areas of the carbon surface. This process strategy has helped to significantly extend the triple-phase boundary as a greater number of Pt particles comes in direct contact with Nafion, leading to a substantial improvement in the overall catalyst utilization. Preliminary analyses such as IR, thermogravimetric analysis, and N(2) sorption confirmed the presence of PPy on the surface. Approximately 50\% reduction in the surface area of CB after the controlled in situ polymerization of pyrrole monomer on the carbon surface indicated preferential filling and coverage of pores and other geometrically restricted pockets of carbon surface. On the other hand, by converting Pt into colloids in the preprecipitation method prior to their reduction, the platinum particles are forced to stay on the hybrid support; a major part of which otherwise would have been migrated into the surface pores and defect sites. Platinum particle size on these hybrid supports is 2 times higher than the catalyst prepared by polyol process. However, the electroactive surface area and mass activity are 2 times higher than that of the Pt particles prepared by polyol on hybrid material and are also significantly higher than that of the conventional electrocatalysts prepared by the polyol method. At 0.8 V, the kinetic current density (j(k)) of Pt/C-PPy-Pre obtained from the Koutecky-Levich plot is 1.5 and 2.5 times higher than that of catalysts prepared by the polyol method on PPy-coated carbon and Vulcan XC-72 carbon, respectively. Almost 210 and 160 mW cm(-2) improvement for the maximum power density, respectively with oxygen and air, was obtained with the modified system in comparison to the conventional system when the single cell evaluations were carried out at 60 degrees C with a Pt loading of 0.5 mg cm(-2) in the anode and cathode sides. This enhancement in the cell performance under the two different oxygen partial pressure conditions clearly emphasizes the improved oxygen reduction reaction (ORR) and mass-transfer characteristics of the hybrid electrode material compared to the other catalysts.

}, issn = {1932-7447}, doi = {10.1021/jp104664t}, author = {Unni, SreeKuttan M. and Dhavale, Vishal M. and Pillai, Vijayamohanan K. and Kurungot, Sreekumar} } @article { ISI:000283463600060, title = {Hydroformylation of 1-octene using [Bmim][PF6]-decane biphasic media and rhodium complex catalyst: thermodynamic properties and kinetic study}, journal = {Industrial \& Engineering Chemistry Research}, volume = {49}, number = {21}, year = {2010}, note = {21st International Symposium on Chemical Reaction Engineering (ISCRE 21), Philadelphia, PA, JUN 13-16, 2010}, month = {NOV}, pages = {10698-10706}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A chemical reaction engineering approach is reported to investigate the biphasic hydroformylation of I-octene using [bmim][PF6] ionic liquid. It is based both on a process parameter investigation (temperature, concentrations, and pressures) and a thermodynamic study of the reaction medium (gas liquid and liquid liquid equilibria). Initial rate data show complex behavior with respect to operating parameters and are best described by a rate equation based on a mechanistic model. Complete reaction scheme including isomerization is then modeled accounting from the time dependent concentration of the organic substrates measured in organic phase and recalculated in ionic liquid phase from liquid liquid equilibria.

}, issn = {0888-5885}, doi = {10.1021/ie100222k}, author = {Sharma, Amit and Lebigue, Carine Julcour and Deshpande, Raj Madhukar and Kelkar, Ashutosh A. and Delmas, Henri} } @article { ISI:000273895500012, title = {Immobilized palladium nanoparticles catalyzed oxidative carbonylation of amines}, journal = {Industrial \& Engineering Chemistry Research}, volume = {49}, number = {3}, year = {2010}, note = {Joint 7th International Symposium on Catalysis in Multiphase Reactors (CAMURE-7)/6th International Symposium on Multifunctional Reactors (ISMR-6), Montreal, CANADA, AUG 23-26, 2009}, month = {FEB}, pages = {1027-1032}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Catalytic application of immobilized palladium nanoparticles for synthesis or ureas by oxidative carbonylation of amines has been investigated. This is the first report oil oxidative carbonylation of amines to ureas using immobilized palladium nanoparticles catalyst. The palladium nanoparticles were immobilized on a NaY zeolite support through 3-aminopropyl-trimethoxysilane (APTS) as anchoring agent. The [Pd]-APTS-Y catalyst along with NaI promoter showed high conversion and selectivity to the desired urea products over several amine compounds including ail example of an aliphatic amine precursor even at 333 K. The immobilized catalyst was easily separated and recycled several times without any loss of activity. The role of different solvents, iodide promoters, iodide to Pd ratio, concentration of substrates, and temperature on the overall yield of the reaction was also investigated.

}, issn = {0888-5885}, doi = {10.1021/ie9007024}, author = {Didgikar, Mahesh R. and Roy, Debdut and Gupte, Sunil P. and Joshi, Sunil S. and Chaudhari, Raghunath V.} } @article { ISI:000274929000006, title = {In situ encapsulation of pt nanoarchitectures of varying morphologies in mesoporous compounds}, journal = {Chemistry of Materials}, volume = {22}, number = {5}, year = {2010}, month = {MAR}, pages = {1633-1639}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Nanoparticle morphology could be engineered and fine-tuned based on a novel in situ template method Different shapes of platinum nanoparticles were obtained from very low concentrations of precursors and could be isolated exclusively inside the mesochannels of SBA-15 This was achieved by dispersing a platinum precursor in surfactant modified polymer to different extents and using these composite materials as templates for the formation of mesoporous silica [PtCl(6)](2-) interacts with the cationic headgroup of the surfactant and facilitates the isolation of precursors within the composite template leading to the formation of nanoparticles molded by the walls of the mesochannels when calcined When this [PtCl(6)](2-)-surfactant-polymer micelle composite is aged for different duration, Pt nanoparticles of various morphologies like spheroids, nano rugby balls, and nanorods are obtained

}, issn = {0897-4756}, doi = {10.1021/cm9036499}, author = {Prashar, Atul K. and Hodgkins, Robert P. and Chandran, Jima N. and Rajamohanan, P. R. and Devi, R. Nandini} } @article { ISI:000272308600054, title = {Influence of palladium on gas-sensing performance of magnesium ferrite nanoparticles}, journal = {Materials Chemistry and Physics}, volume = {119}, number = {1-2}, year = {2010}, month = {JAN}, pages = {319-323}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Commercial ferrites with high densities are mostly used in the electromagnetic devices, which require high temperature synthesis. In this article the gas-sensing characteristics of pure and Pd-doped MgFe(2)O(4) powder has been discussed. The synthesis has been carried out by using a simple molten salt method. This method facilitates rapid synthesis at comparatively lower temperature enabling formation of nanostructures, suitable for the gas-sensing application. Various physicochemical techniques have been used for the characterization of samples. X-ray diffraction analysis confirmed the single-phase formation of pure and Pd-doped MgFe(2)O(4) having crystallite size 15-20 nm. Pure MgFe(2)O(4) showed highest responses towards liquid petroleum gas (LPG) at 350 degrees C while, on doping with Pd the highest response shifted towards lower operating temperature of similar to 200 degrees C. Pure MgFe(2)O(4) exhibited some response towards 200 ppm of LPG which markedly increased on doping of palladium (Pd). The probable mechanism is proposed to explain the selective response towards LPG. (C) 2009 Elsevier B.V. All rights reserved.

}, keywords = {Doping, Ferrite, LPG sensor, Molten salt synthesis, Nanostructures}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2009.09.004}, author = {Darshane, Sonali L. and Mulla, Imtiaz S.} } @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:000280541800020, title = {Isochroman- and 1,3-dihydroisobenzofuran-annulation on carbohydrate templates via [2+2+2]-cyclotrimerization and synthesis of some tricyclic nucleosides}, journal = {Tetrahedron}, volume = {66}, number = {32}, year = {2010}, month = {AUG}, pages = {6085-6096}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The synthesis of enantiopure tricyclic systems comprising isochroman or dihydroisobenzofuran units integrated with sugar templates has been documented. The alkyne cylotrimerization reaction has been employed with easily accessible sugar diynes for the key bicyclic ring construction and thus a provision to alter the functional groups on the newly formed aromatic rings. By selecting two representative trimerization products, we have synthesized the tricyclic nucleosides by simple synthetic manipulations. (c) 2010 Elsevier Ltd. All rights reserved.

}, keywords = {Dihydroisobenzofuran, Dihydroisobenzopyran, Modified nucleosides, Vorbruggen reaction, [2+2+2] cyclotrimerization}, issn = {0040-4020}, doi = {10.1016/j.tet.2010.06.011}, author = {Suryawanshi, Sharad B. and Dushing, Mangesh P. and Gonnade, Rajesh G. and Ramana, C. V.} } @article { ISI:000288434800016, title = {Kinetics studies and mechanism evolution of the epoxidation of styrene over nanoporous Au doped TS-1}, journal = {Polish Journal of Chemical Technology}, volume = {12}, number = {4}, year = {2010}, month = {JAN}, pages = {72-78}, publisher = {VERSITA}, address = {SOLIPSKA 14A-1, 02-482 WARSAW, POLAND}, abstract = {

{A kinetic investigation of the slurry phase epoxidation of styrene with hydrogen peroxide has been carried out, for the first time, over nanoporous Au doped TS-1 catalyst, in a batch reactor, in the temperature range of 313-333 K. It was found that product selectivity and the rate of reaction are greatly influenced by concentrations of styrene and hydrogen peroxide. Kinetics studies reveal that the mechanism of the reaction is of the {\textquoteleft}{\textquoteleft}Redox{\textquoteright}{\textquoteright} type. The rate equation

}, keywords = {Au/TS-1, epoxidation, kinetics, styrene, Styrene oxide}, issn = {1509-8117}, doi = {10.2478/v10026-010-0054-6}, author = {Saxena, Samidha and Dwivedi, Reena and Bhadauria, Sheenu and Chumbhale, Vilas R. and Prasad, Rajendra} } @article { ISI:000274773900028, title = {Long-range synthon aufbau modules (LSAM) in crystal structures: systematic changes in C6H6-nFn (0 <= n <= 6) fluorobenzenes}, journal = {Crystengcomm}, volume = {12}, number = {3}, year = {2010}, month = {OCT}, pages = {817-833}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

We discuss the assembly of a three-dimensional molecular crystal in terms of short-range supramolecular synthons that spontaneously organize themselves according to Aufbau principles into long-range geometries characteristic of the molecules themselves. For this purpose we have examined the systematic changes in the known crystal structures of a family of fluorobenzenes, C6H6-nFn, where 0 \<= n \<= 6. Crystal assembly is initiated by forming long-range synthon Aufbau modules (LSAM) that carry the imprint of the synthons. For example, when 1 \<= n \<= 5 the short-range synthons use H center dot center dot center dot F interactions to form the LSAMs. In the n = 0 and n = 6 compounds, the synthons are H center dot center dot center dot C and F center dot center dot center dot C interactions, respectively. The LSAMs are usually one-dimensional. In this study we show that these 1D LSAMs assemble into 2D quasi-hexagonal close-packed layers. The 3D crystal structure is obtained from the various kinds of close-packing known for these 2D layers. The final stages of this 1D -\> 2D -\> 3D assembly seem to be more influenced by the packing of LSAMs than by any other factor. In these final stages, there may not be so much influence exerted by the stronger short-range synthons. We discuss the evolution of these fluorobenzene crystal structures in terms of putative LSAMs and the purely geometric relationships between the n and (6 - n) compounds that can thus be expected. Such particle-hole pairs show structural similarities. Our discussion is quantified by the interpretation of intermolecular distances in terms of atomic sizes and with qualitative predictions of magnetic model systems.

}, issn = {1466-8033}, doi = {10.1039/b910915c}, author = {Ganguly, P. and Desiraju, Gautam R.} } @article { ISI: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:000274424100003, title = {Mild, efficient, and regioselective monobromination of arylamines and phenols using [BBIm]Br-3 as a new reagent}, journal = {Synthetic Communications}, volume = {40}, number = {5}, year = {2010}, month = {APR}, pages = {PII 919083074}, publisher = {TAYLOR \& FRANCIS INC}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {

We report here an efficient method for the synthesis and characterization of the room-temperature ionic liquid 1,3-di-n-butylimidazolium tribromide ([BBIm]Br-3) (2) and its application as an efficient reagent and solvent for regioselective bromination of arylamines and phenols under mild conditions. The bromination was carried out in the absence of organic solvents, and in most cases, the only extraction solvent needed was water. The spent 1,3-di-n-butylimidazolium bromide (1) was easily recycled.

}, keywords = {Ionic liquid, monobromination, Regioselective, Solvent-free, [BBIm]Br3}, issn = {0039-7911}, doi = {10.1080/00397910903009430}, author = {Borikar, Sanjay P. and Daniel, Thomas and Paul, Vincent} } @article { 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:000276963200003, title = {Novel synthesis and characterization of titanium superoxide and its application in organic oxidative processes}, journal = {Catalysis Surveys from Asia}, volume = {14}, number = {1}, year = {2010}, month = {MAR}, pages = {21-32}, publisher = {SPRINGER/PLENUM PUBLISHERS}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

A novel, exceptionally stable titanium superoxide radical ion was prepared and its structure determined by FTIR, ESR, Raman spectroscopy, X-ray diffraction, thermogravimetric/differential thermal analysis and elemental analysis. This heterogeneous catalyst has been found to be effective for the selective oxidation of aromatic amines and phenols to the corresponding nitro aromatics and p-quinones, respectively. In addition, this non-toxic, inexpensive and reusable catalyst has also been used in aminobromination of olefins, which proceed to give the 1, 2-bromoaminated anti-Markovnikov product. A brief account of these results is summarized in this review.

}, keywords = {Amino Bromination, Anti-Markovnikov, heterogeneous catalyst, Oxidation, Titanium superoxide}, issn = {1571-1013}, doi = {10.1007/s10563-010-9085-5}, author = {Reddy, R. Santhosh and Shaikh, Tanveer Mahamadali and Rawat, Varun and Karabal, Pratibha U. and Dewkar, Gajanan and Suryavanshi, Gurunath and Sudalai, Arumugam} } @article { ISI:000283834100025, title = {Organocatalytic route to the synthesis of lactone moiety of compactin and mevinolin}, journal = {Tetrahedron Letters}, volume = {51}, number = {44}, year = {2010}, month = {NOV}, pages = {5838-5839}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

An efficient synthesis of lactone moiety of compactin has been achieved. The stereogenic centers were generated by means of iterative proline-catalyzed sequential alpha-aminoxylation and Horner-Wadsworth-Emmons (HWE) olefination of aldehydes. (C) 2010 Elsevier Ltd. All rights reserved.

}, keywords = {Aminoxylation, Compactin, Lactone, organocatalysis, Proline}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2010.08.093}, author = {Kumar, Pradeep and Pandey, Menaka and Gupta, Priti and Dhavale, Dilip D.} } @article { ISI: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:000279864100030, title = {Pd-catalyzed one-pot chemoselective hydrogenation protocol for the preparation of carboxamides directly from azides}, journal = {Tetrahedron Letters}, volume = {51}, number = {29}, year = {2010}, month = {JUL}, pages = {3815-3819}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {Azide, Carboxamide, Catalytic hydrogenation, Chemoselective, Palladium, Succinimide ester}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2010.05.066}, author = {Bavikar, Sudhir N. and Salunke, Deepak B. and Hazra, Braja G. and Pore, Vandana S. and Thierry, Josiane and Dodd, Robert H.} } @article { ISI:000274885600046, title = {Pivaloyl chloride/DMF: a new reagent for conversion of alcohols to chlorides}, journal = {Tetrahedron Letters}, volume = {51}, number = {4}, year = {2010}, month = {JAN}, pages = {744-746}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

An efficient procedure for conversion of alcohols into the corresponding chlorides is described. Pivaloyl chloride/DMF complex is employed as a mild and inexpensive reagent. A possible reaction mechanism is proposed. (C) 2009 Elsevier Ltd. All rights reserved.

}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2009.11.131}, author = {Dubey, Abhishek and Upadhyay, Arun K. and Kumar, Pradeep} } @article { ISI:000274069000060, title = {Preparation and characterization of novel hybrid of bio-assisted mineralized Zn-Al layered double hydroxides using chitosan as a template}, journal = {Journal of Applied Polymer Science}, volume = {115}, number = {6}, year = {2010}, month = {MAR}, pages = {3636-3644}, publisher = {JOHN WILEY \& SONS INC}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

The purpose of this study was to prepare and characterize a novel nanohybrid prepared from the template-assisted mineralization of Zn-Al Layered Double Hydroxide (LDH) onto the surface of Chitosan (CSI), with an emphasis on morphology, biocompatibitity, and its use as an efficient drug carrier agent. The as prepared LDH is highly crystalline, with platelet-like morphology and curved tactoids when nucleated onto the surface of CSI. Our results indicate that the -OH and -NH functional moieties on CSI can direct an ordered structure of LDH, due to the electrostatic interaction between biopolymer and inorganic lamellae. We have been successful to intercalate an anti-inflammatory drug, Sodium Ibuprofen (Ibu), into LDH, through conventional coprecipitation method. LDHs are endowed with great potential for delivery vector because their stacked layers lead to safe reservation of biofunctional molecules or genes, and their ion exchangeability and solubility in acidic media (pH \< 4) give rise to the controlled release of drug molecules. According to the cell-growth studies, LDHs are found as cell viable up to the concentration of 500 mu g/mL. This study reveals that LDH not only plays a role of a biocompatible-delivery matrix but also facilitates a significant increase in the delivery efficiency. (C) 2009 Wiley Periodicals, Inc. J Appl Polym Sci 115:3636-3644,2010

}, keywords = {bio-assisted mineralization, cell-growth studies, Chitosan, drug delivery systems, layered double hydroxides}, issn = {0021-8995}, doi = {10.1002/app.31463}, author = {Depan, Dilip and Singh, Raj Pal} } @article {42795, title = {Process for synthesis of beaded cross linked polymers, water-in-oil-in-water emulsions and post functionalisation}, number = {2538/DEL}, year = {2010}, month = {JAN}, author = {Dwivedi, Mayank and Rao, Locanindi Hari Sarvothama and Reddy, Krishna Mohan Srinivasulu and Dhanasekharan, Janakiraman and Rao, Bevara Madhusudana and Kumar, Sriperambudur Rajesh and Ponrathnam, Surendra and Chelanattukizhakkemadath, Raman Rajan and Tayal, Rajivkumar and Qureshi, Moham} } @article { ISI:000282444000036, title = {Production of single cell protein, essential amino acids, and xylanase by penicillium janthinellum}, journal = {Bioresources}, volume = {5}, number = {4}, year = {2010}, month = {OCT}, pages = {2470-2477}, publisher = {NORTH CAROLINA STATE UNIV DEPT WOOD \& PAPER SCI}, address = {CAMPUS BOX 8005, RALEIGH, NC 27695-8005 USA}, abstract = {

Microbial biomass having 46\% crude protein content and enriched with essential amino acids as well as extracellular xylanase activity (100-150 IU/ml) was produced by an efficient fungal strain, Penicillium janthinellum (NCIM St-F-3b). Optimization studies for maximum xylanase and biomass production showed that the fungus required a simple medium containing bagasse hemicellulose as carbon source and ammonium sulphate as the nitrogen source. Therefore bagasse, which is a waste product of the sugar industry, can be efficiently used in microbioal biomass protein preparation for animal feed.

}, keywords = {Bagasse hydrolysate, Crude protein, Microbial biomass production, Penicillium janthinellum, Xylanase}, issn = {1930-2126}, author = {Rao, Mala and Varma, Anjanikumar and Deshmukh, Sumedha S.} } @article { ISI:000286161600003, title = {QTL mapping of 1000-kernel weight, kernel length, and kernel width in bread wheat (Triticum aestivum L.)}, journal = {Journal of Applied Genetics}, volume = {51}, number = {4}, year = {2010}, month = {DEC}, pages = {421-429}, publisher = {POLISH ACAD SCIENCES, INST PLANT GENETICS}, address = {STRZESZYNSKA 34, POZNAN, 60-479, POLAND}, abstract = {

Kernel size and morphology influence the market value and milling yield of bread wheat (Triticum aestivum L.). The objective of this study was to identify quantitative trait loci (QTLs) controlling kernel traits in hexaploid wheat. We recorded 1000-kernel weight, kernel length, and kernel width for 185 recombinant inbred lines from the cross Rye Selection 111 x Chinese Spring grown in 2 agro-climatic regions in India for many years. Composite interval mapping (CIM) was employed for QTL detection using a linkage map with 169 simple sequence repeat (SSR) markers. For 1000-kernel weight, 10 QTLs were identified on wheat chromosomes 1A, 1D, 2B, 2D, 4B, 5B, and 6B, whereas 6 QTLs for kernel length were detected on 1A, 2B, 2D, 5A, 5B and 5D. Chromosomes 1D, 2B, 2D, 4B, 53 and 5D had 9 QTLs for kernel width. Chromosomal regions with QTLs detected consistently for multiple year-location combinations were identified for each trait. Pleiotropic QTLs were found on chromosomes 2B, 2D, 4B, and 5B. The identified genomic regions controlling wheat kernel size and shape can be targeted during further studies for their genetic dissection.

}, keywords = {composite interval mapping, kernel shape, kernel size, quantitative trait loci, Stable QTLs, Triticum aestivum}, issn = {1234-1983}, doi = {10.1007/BF03208872}, author = {Ramya, P. and Chaubal, A. and Kulkarni, K. and Gupta, L. and Kadoo, Narendra Y. and Dhaliwal, Harcharan Singh and Chhuneja, Parveen and Lagu, Meena D. and Gupta, V.} } @article { ISI:000278725100023, title = {Renewable H-2 from glycerol steam reforming: effect of La2O3 and CeO2 addition to Pt/Al2O3 catalysts.}, journal = {Chemsuschem}, volume = {3}, number = {5}, year = {2010}, month = {MAY}, pages = {619-628}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {

Glycerol is the main byproduct of biodiesel production and its increased production volume derives from the increasing demand for biofuels. The conversion of glycerol to hydrogen-rich mixtures presents an attractive route towards sustainable biodiesel production. Here we explored the use of Pt/Al2O3-based catalysts for the catalytic steam reforming of glycerol, evidencing the influence of La2O3 and CeO2 doping on the catalyst activity and selectivity. The addition of the latter metal oxides to a Pt/Al2O3 catalyst is found to significantly improve the glycerol steam reforming, with high H-2 and CO2 selectivities. A good catalytic stability is achieved for the Pt/La2O3/Al2O3 system working at 350 degrees C, while the Pt/CeO2/Al2O3 catalyst sharply deactivates after 20 h under similar conditions. Studies carried out on fresh and exhausted catalysts reveal that both systems maintain high surface areas and high Pt dispersions. Therefore, the observed catalyst deactivation can be attributed to coke deposition on the active sites throughout the catalytic process and only marginally to Pt nanoparticle sintering. This work suggests that an appropriate support composition is mandatory for preparing high-performance Pt-based catalysts for the sustainable conversion of glycerol into syngas.

}, keywords = {biofuels, Glycerol, heterogeneous catalysis, platinum, supported catalysts}, issn = {1864-5631}, doi = {10.1002/cssc.200900243}, author = {Montini, Tiziano and Singh, Rakesh and Das, Piyali and Lorenzut, Barbara and Bertero, Nicolas and Riello, Pietro and Benedetti, Alvise and Giambastiani, Giuliano and Bianchini, Claudio and Zinoviev, Sergey and Miertus, Stanislav and Fornasiero, Paolo} } @article { ISI:000284454600041, title = {Ru(II) phenanthroline complex as catalyst for chemoselective hydrogenation of nitro-aryls in a green process}, journal = {Industrial \& Engineering Chemistry Research}, volume = {49}, number = {23}, year = {2010}, month = {DEC}, pages = {12180-12184}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Ru(II) Phenanthroline [Ru(II)(Phen)(n) where n = 1,2,3] complexes were used as highly chemoselective catalysts for hydrogenation of nitro aryls using molecular hydrogen in an aqueous media. Water, universal solvent, was used as a reaction mixture for hydrogenation of nitro-aryls to make the process green. The chemoselectivity in hydrogenation of substituted nitrobenzene to substituted aniline was obtained as high as \>99\% at about complete conversion of substituted nitrobenzene. The parametric effects, including effect of solvent, effect of ligand, effect of metal to ligand ratio, effect of temperature and pressure, were studied in detail to obtain the best results. The Ru(Phen)(n) was characterized by FTIR, UV-vis, and XPS.

}, issn = {0888-5885}, doi = {10.1021/ie1015969}, author = {Deshmukh, Amit A. and Prashar, Atul K. and Kinage, Anil K. and Kumar, Rajiv and Meijboom, Reinout} } @article { ISI:000277738400017, title = {Simple and efficient synthesis of 2-Aryl-2,3-dihydroquinolin-4(1H)-ones using silica chloride as a new catalyst under solvent-free conditions}, journal = {Synthetic Communications}, volume = {40}, number = {9}, year = {2010}, month = {APR}, pages = {PII 921000023}, publisher = {TAYLOR \& FRANCIS INC}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {

A mild, efficient, and high-yielding method for the synthesis of 2-aryl-2,3-dihydroquinolin-4(1H)-ones from their corresponding 2-amino chalcones using silica chloride (SiO2Cl) under solvent-free conditions is described. A series of 2-aryl-2,3-dihydroquinolin-4(1H)-ones containing both electron-donating and electron-withdrawing substituents were synthesized.

}, keywords = {2-Amino chalcones, 2-aryl-2, 3-dihydroquinolin-4(1H)-ones, Microwave, silica chloride}, issn = {0039-7911}, doi = {10.1080/00397910903097252}, author = {Muthukrishnan, Murugan and Mujahid, Mohammad and Punitharasu, V. and Dnyaneshwar, D. A.} } @article { ISI:000284261800094, title = {Small molecule inhibition of phosphatidylinositol-3,4,5-triphosphate (PIP3) binding to pleckstrin homology domains}, journal = {Proceedings of the National Academy of Sciences of the United States of America}, volume = {107}, number = {46}, year = {2010}, month = {NOV}, pages = {20126-20131}, publisher = {NATL ACAD SCIENCES}, address = {2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA}, abstract = {

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

}, keywords = {Anticancer, PIP3 antagonist}, issn = {0027-8424}, doi = {10.1073/pnas.1004522107}, author = {Miao, Benchun and Skidan, Igor and Yang, Jinsheng and Lugovskoy, Alexey and Reibarkh, Mikhail and Long, Kai and Brazell, Tres and Durugkar, Kulbhushan A. and Maki, Jenny and Ramana, C. V. and Schaffhausen, Brian and Wagner, Gerhard and Torchilin, Vladimir and Yuan, Junying and Degterev, Alexei} } @article { ISI:000285682500012, title = {Solid-acid-based process for the conversion of hemicellulose}, journal = {Green Chemistry}, volume = {12}, number = {12}, year = {2010}, month = {DEC}, pages = {2153-2156}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

We describe a solid-acid-catalyzed conversion of hemicellulose (a component of lignocellulosic material) into xylose, arabinose and furfural in aqueous media.

}, issn = {1463-9262}, doi = {10.1039/c004128a}, author = {Dhepe, Paresh Laxmikant and Sahu, Ramakanta} } @article { ISI:000275580600010, title = {Solvent-free selective oxidation of benzyl alcohol to benzaldehyde by tert-butyl hydroperoxide over U3O8-supported nano-gold catalysts}, journal = {Applied Catalysis A-General}, volume = {375}, number = {2}, year = {2010}, month = {MAR}, pages = {252-257}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Liquid-phase oxidation of benzyl alcohol to benzaldehyde by tertiary butyl hydroperoxide over different uranium oxide supported nano-gold catalysts in the absence of a solvent has been thoroughly investigated. The influences of catalyst parameters [viz, method of gold deposition (impregnation, co-precipitation, deposition-precipitation and homogeneous deposition-precipitation), gold loading (08 wt\%) and catalyst calcination temperature (100-900 degrees C)] on the catalyst performance have been investigated. The influence of reaction conditions [viz, reaction time (0-2 h) and temperature (25-94 degrees C)] on the process performance has also been studied. The Au/U3O8 catalyst prepared by the homogeneous deposition-precipitation and calcined at 400 degrees C showed very high activity (100\% benzyl alcohol conversion with \>85\% selectivity for benzaldehyde) in the process for a short reaction period (0.5 h) at 94 degrees C. The catalyst also showed excellent reusability in the process. (C) 2010 Elsevier B.V. All rights reserved.

}, keywords = {Au/U3O8 catalyst, Benzaldehyde, Benzyl alcohol, Nano-gold, Partial oxidation, tert-Butyl hydroperoxide}, issn = {0926-860X}, doi = {10.1016/j.apcata.2010.01.007}, author = {Choudhary, Vasant R. and Dumbre, Deepa K.} } @article { ISI:000280204900018, title = {Structural diversity in a series of metal-organic frameworks (MOFs) composed of divalent transition metals, 4,4 {\textquoteleft}-bipyridine and a flexible carboxylic acid}, journal = {Crystengcomm}, volume = {12}, number = {8}, year = {2010}, month = {APR}, pages = {2381-2389}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A series of flexible metal-organic frameworks (MOFs) have been successfully synthesized under hydrothermal condition using 1,3-adamantanediacetic acid (C(14)H(20)O(4), H(2)ADA) as a flexible dicarboxylate building block, 4,4{\textquoteright}-bipyridine and transition metal ions [Cd(II), Zn(II), and Mn(II)] as metal centers in DMF and aqueous media. These MOFs formulated as [Cd(ADA)(4,4{\textquoteright}-bipy)(0.5)]center dot(DMF) (Cd-ADA-1), [Mn(ADA)(4,4{\textquoteright}-bipy)(0.5)]center dot(DMF) (Mn-ADA-1), Zn(ADA)(4,4{\textquoteright}-bipy)(0.5) (Zn-ADA-1), and [Mn(HADA)(2)(4,4{\textquoteright}-bipy)(H(2)O)(2)] (Mn-ADA-2) (ADA = 1,3-adamantanediacetate, 4,4{\textquoteright}-bipy = 4,4{\textquoteright}-bipyridine and DMF = N,N{\textquoteright}-dimethyl formamide) display interesting 1D, 2D and 3D structural features depending on the solvent of synthesis. All these MOFs were structurally determined by single-crystal X-ray diffraction. The coordination modes of this ligand are discussed and in addition, thermal stability and hydrogen (H(2)) and carbon-dioxide (CO(2)) adsorption properties of Cd-ADA-1, Mn-ADA-1 and Zn-ADA-1 are also presented. Hydrogen sorption at 77 K and up to 1 atm is found to be 0.42, 0.72 and 1.36 wt\% without saturation for Zn-ADA-1, Mn-ADA-1 and Cd-ADA-1 samples.

}, issn = {1466-8033}, doi = {10.1039/c000723d}, author = {Pachfule, Pradip and Panda, Tamas and Dey, Chandan and Banerjee, Rahul} } @article {42725, title = {Structural diversity in manganese, iron and cobalt complexes of the ditopic 1,2- bis(2,2{\textquoteright}-bipyridyl-6-yl)ethyne ligand and observation of epoxidation and catalase activity of manganese compounds}, journal = {Royal Society of Chemistry}, volume = {39}, year = {2010}, month = {JUN}, pages = {7266-7275}, abstract = {

A ditopic 1,2-bis(2,2'-bipyridyl-6-yl)ethyne ligand, L, has been synthesized for the first time by consecutive Suzuki and Sonogashira coupling reactions either in a one- or two-step synthesis. Coordination of L with some first-row transition metals, Fe, Mn and Co showed a very rich structural diversity that can be obtained with this ligand. Reaction of L with MnII(OAc)2 yielded a dimanganese(II) complex, [Mn2L(μ-OAc)3]PF6, (1) where the two somewhat inequivalent trigonal-bipyramidal Mn atoms separated by 3.381 {\r A} are bridged by L and three acetate moieties. A similar reaction of L with MnIII(OAc)3 yielded a very different dimanganese complex [Mn2L'(OH)(OAc)2(DMF)2]PF6{\textperiodcentered}DMF (2) where L' is a E-1,2-bis(2,2'-bipyridyl-6-yl)ethene fragment that was formed in situ. The L' ligand bridges between the two Mn centers, despite its trans configuration, which leads to a very strained ethene bridging moiety. The Mn atoms are also bridged by two acetate ligands and a hydroxy group that bridges between the Mn atoms and the ethene fragment; DMF completes the octahedral coordination around each Mn atom which are separated by 3.351 {\r A}. A comproportionation reaction of L with MnII(OAc)2 and n-Bu4NMnO4 yielded a tetramanganese compound, [Mn4(μ3-O)2(OAc)4(H2O)2L2](PF6)2{\textperiodcentered}2CH3CN (3). Compound 3 has a dimer of dimers structure of the tetranuclear Mn core that consists of binuclear [Mn2O(OAc)2L]+ fragment and a PF6 anion. BVS calculations indicate that 3 is a mixed-valent 2MnII plus 2MnIII compound where two [MnII2O(OAc)2L]+ fragments are held together by MnIII{\textendash}O inter-fragment linkers which have a distorted octahedral geometry. The Mn atoms in the [Mn2O(OAc)2L]+ fragments have a capped square-pyramid configuration where an aqua ligand is capped on one of the faces. Although the aqua ligand is well within a bonding distance to a carbon atom of the proximal ethyne bridge, there does not appear to be an oxygen{\textendash}carbon bond formation, rather the ligand is constrained in this position, as deduced by the observation that the bond lengths and angles of the ligand are essentially the same as those for the free ligand, L. Reaction of L with perchlorate or triflate salts of Fe(II), Mn(II) and Co(II) in dry acetonitrile yielded binuclear triple helicate structures (2[thin space (1/6-em)]:[thin space (1/6-em)]3 metal to L ratios) [Fe2L3](CF3SO3)4{\textperiodcentered}CH3CN (4), [Mn2L3](ClO4)4{\textperiodcentered}1.7CH3CN{\textperiodcentered}1.65EtOEt (5) and [Co2L3](ClO4)4{\textperiodcentered}2CH3CN{\textperiodcentered}2EtOEt (6) where each M(II) center with a slightly distorted octahedral geometry is bridged by three of the ditopic ligands. The M{\textendash}M distances varied; 5.961 {\r A} (Mn), 6.233 {\r A} (Co) 6.331 {\r A} (Fe). Reaction of L with Co(ClO4)2{\textperiodcentered}6H2O in wet acetonitrile yielded a dicobalto(III) compound, [Co2L'3(O)2](ClO4)2{\textperiodcentered}H2O (7), with two types of L' fragments; one bridging between the two Co centers and two non-bridging ligands, each bonded to a Co atom via one bipyridyl group where the other is non-bonding. The octahedral coordination sphere around each Co atom is completed by the formation of a cobalt{\textendash}carbon bond from the two carbon atoms of the ethene moiety of the bridging ligand and by a hydroxy moiety that is also bonded to the ethene group of the non-bridging ligand. Reaction of L with Co(ClO4)2{\textperiodcentered}6H2O in dry acetonitrile in the presence of Et3N yielded the tetracobalto(II) complex {[Co2L4(OH)4](ClO4)4}2 (8) with a unique twisted square configuration of cobalt ions with Co{\textendash}Co distances of 3.938 to 4.131 {\r A}. In addition to the L bridging ligand the Co atoms are linked by hydroxy moieties. Some preliminary catalytic studies showed that the Mn compounds 1 and 2 were active (high yield within 3 min) for alkene epoxidation with peracetic acid and hydrogen peroxide dismutation (catalase activity).

}, doi = {10.1039/B925129D}, author = {Madhu, Vedichi and Ekambaram, Balaraman and Shimon, Linda J. W. and Diskin, Yael and Leitus, Gregory and Neumann, Ronny} } @article { ISI:000275049800051, title = {Structural diversity in partially fluorinated metal organic frameworks (F-MOFs) composed of divalent transition metals, 1,10-phenanthroline, and fluorinated carboxylic acid}, journal = {Crystal Growth \& Design}, volume = {10}, number = {3}, year = {2010}, month = {MAR}, pages = {1351-1363}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Seven new partially fluorinated metal-organic frameworks (F-MOFs) have been synthesized under different solvothermal conditions (H(2)O or N,N-dimethylformamide (DMF)) from transition metal cations [Zn(II), Co(II), and Mn(II)], 1,10-phenanthroline (phen), and 4,4{\textquoteright}-(hexafluoroisopropylidene) bis(benzoic acid) (C(17)H(10)F(6)O(4), H(2)hfbba) to determine the influence of reaction conditions on the formation of metal-organic frameworks. This family of materials displays a striking degree of structural similarity depending on the solvent of synthesis. Of the seven materials, two contain three-dimensional connectivity: Co(3)(hfbba)(6)(phen)(2) (F-MOF-6) and Mn(3)(hfbba)(6)(Phen)(2) (F-MOF-10). Three materials are one-dimensional structures: Zn(hfbba)(0.5)(phen)(HCO(2)) (F-MOF-8), Mn(Hhfbba)(2)(Phen) (F-MOF-11), and [Mn(hfbba)(2)(dm-phen)]center dot(H(2)O) (F-MOF-11A). Lastly, Co(hfbba)(phell)(2)center dot 2(H(2)hfbba)(H(2)O)(HCO(2)) (F-MOF-7) and Zn(hfbba)(phen)(2)center dot 2(H(2)hfbba) (H(2)O)-(HCO(2)) (F-MOF-9) are discrete zero-dimensional molecular complexes. F-MOF-6 and -10, which feature it three-dimensional (3D) framework with pcu topolgy are formed in DMF like F-MOF-8 and at 85 degrees C. The remaining F-MOFs are formed by a solvothermal reaction at 120 degrees C in water. F-MOF-7 and -9 are isostructural discrete zero-dimensional molecular complexes (a similar to 19.5; b similar to 13.7; c similar to 26.2/29.6 angstrom; beta similar to 99.9/120.04; V similar to 6840 angstrom(3)). All these F-MOFs were structurally determined by single-crystal X-ray diffraction. Solid-state properties such its UV-vis and the thermal stability of F-MOF-6 to -11A have also been studied. Insight into the factors influencing the preferred crystallization of a specific complex over others has been obtained from full quantum chemical (QM) calculations using density functional theory (DFT).

}, issn = {1528-7483}, doi = {10.1021/cg9013812}, author = {Pachfule, Pradip and Dey, Chandan and Panda, Tamas and Vanka, Kumar and Banerjee, Rahul} } @article { ISI:000278147900009, title = {Structural, magnetic, and gas adsorption study of a two-dimensional tetrazole-pyrimidine based metal-organic framework}, journal = {Crystal Growth \& Design}, volume = {10}, number = {6}, year = {2010}, month = {JUN}, pages = {2475-2478}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A new two-dimensional (2D) metal-organic framework, Cu-TP-1, has been synthesized under solvothermal conditions (DMF) from the transition metal cation Cu(II) and 2-tetrazole pyrimidine (C5H5N6, H-TP). The structure has been determined by single crystal X-ray crystallography which shows a (6,3) honeycomb 2D net with perpendicular one-dimensional channels. Permanent porosity of Cu-TP-1 has been determined by the nitrogen adsorption isotherm. Cu-TP-1 show interesting H-2 and CO2 uptake. CO2 uptake of Cu-TP-1 (at 298 K, 1 atm pressure) is seen to be comparable to the recently reported ZIF-95 which outperforms ZIF-100 and BPL carbon. The magnetic properties show an antiferromagnetically coupled Cu ... Cu interaction down to 8 K with a Weiss temperature around 108 K.

}, issn = {1528-7483}, doi = {10.1021/cg1003726}, author = {Pachfule, Pradip and Das, Raja and Poddar, Pankaj and Banerjee, Rahul} } @article { ISI:000281125800003, title = {Structure-function mimicry of oxidized purple acid phosphatase-PAP(ox)-A new functional model}, journal = {Indian Journal of Chemistry Section A-Inorganic Bio-Inorganic Physical Theoretical \& Analytical Chemistry}, volume = {49}, number = {8}, year = {2010}, month = {AUG}, pages = {1023-1029}, publisher = {NATL INST SCIENCE COMMUNICATION-NISCAIR}, address = {DR K S KRISHNAN MARG, PUSA CAMPUS, NEW DELHI 110 012, INDIA}, abstract = {

{Electronic structure and spectroscopic properties of the novel diiron active site of oxidized mammalian purple acid phosphatase analogues, Fe-6: [Fe-2 (mu-O) (mu-OAc) (4HNSQ(ox))(2 center dot-)(ONSQ(ox))(2 center dot-)(H2O)(4)] and Fe-7: [Fe-2 (mu-O) (mu-OAc)(ONSQ(ox))(2 center dot-)(OAc) (H2O)(4)] are described. Magnetic susceptibility SQUID data of Fe-6 are best fitted to Heisenberg{\textquoteright}s isotropic spin pair (S = 5/2, 3/2) model using magnetic parameters g = 2 and J = - 36.8 cm(-1) with R factor = 6.4 x 10(-4). The antiferromagnetic exchange establishes Fe(III)-O-Fe(III) dimeric core with Fe(III) site having two radical ligations in the naphthosemiquinone oxime form of lawsone oxime. In the model compound Fe-7 of oxidized purple acid phosphatase, bridged and terminal acetate functions are identified according to their different energies of activations, i.e, similar to 34 and 58 kJ mol(-1) respectively. Also, the reduced naphthoquinone oxime form of ligand is characterized by its energy of activation (similar to 15 kJ mol(-1)) from pyrolytic reaction. Mossbauer parameters

}, keywords = {Antiferromagnetic exchange, Bioinorganic chemistry, DNA cleavage, iron, Nuclease activity, PAP(ox) analogues}, issn = {0376-4710}, author = {Waghmode, Shobha A. and Date, Sadgopal K. and Gupta, Vidya S. and Rane, Sandhya Y.} } @article { ISI:000283745300023, title = {Study of the effect of plasma-striking atmosphere on Fe-oxidation in thermal dc arc-plasma processing}, journal = {Journal of Vacuum Science \& Technology A}, volume = {28}, number = {6}, year = {2010}, month = {NOV}, pages = {1399-1403}, publisher = {A V S AMER INST PHYSICS}, address = {STE 1 NO 1, 2 HUNTINGTON QUADRANGLE, MELVILLE, NY 11747-4502 USA}, abstract = {

The effect of plasma-striking atmosphere: air and air+Ar-gas on the crystallization of Fe-oxide phases was studied using dc thermal arc-plasma processing route. The powders were characterized by x-ray diffraction, vibrating sample magnetometry, transmission electron microscopy, and Mossbauer spectroscopy techniques. At room temperature and O(2) rich atmosphere, arc-evaporated Fe(2+) ions oxidize into either gamma-Fe(2)O(3) or Fe(3)O(4) depending upon the combining ratio of Fe with molecular O(2). Fe/O ratio could be adjusted using proper flow rate of Ar gas to crystallize the pure gamma-Fe(2)O(3). (C) 2010 American Vacuum Society. [DOI: 10.1116/1.3504597]

}, issn = {0734-2101}, doi = {10.1116/1.3504597}, author = {Banerjee, Indrani and Khollam, Y. B. and Mahapatra, S. K. and Das, A. K. and Bhoraskar, S. V.} } @article { ISI:000276492300024, title = {Switching of hydrophilic to ultra hydrophilic properties of flower-like gold nanostructures}, journal = {Applied Surface Science}, volume = {256}, number = {13}, year = {2010}, month = {APR}, pages = {4192-4195}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Flower-like morphologies of gold nanostructures were obtained via chemical method by controlling molar concentration ratio of reducing agent and precursor. Chloroauric acid was used as a metal precursor while tri-sodium citrate as the reducing agent. These flower-like structures were characterized by UV-vis spectroscopy, Scanning Electron Microscopy (SEM) and X-ray Diffraction (XRD) techniques. The basic crystallite size calculated via XRD measurement was found to be similar to 10 nm and remain unaffected by the different concentration ratios. The coating of these structures was made over clean glass substrate and analyzed for wettability by measuring their water contact angles. Our analysis indicates that the coatings of hierarchical flower-like structures of gold are able to provide ultra hydrophilic properties to glass substrate. (C) 2010 Elsevier B.V. All rights reserved.

}, keywords = {Gold flower-like nanostructures, Ultra hydrophilic, Wettability}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2010.01.123}, author = {Dhumale, Vinayak A. and Shah, Preeti V. and Mulla, Imtiaz S. and Sharma, R. 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:000277091700039, title = {Synthesis and structural comparisons of five new fluorinated metal organic frameworks (F-MOFs)}, journal = {Crystengcomm}, volume = {12}, number = {5}, year = {2010}, month = {JAN}, pages = {1600-1609}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A series of fluorinated metal-organic frameworks (F-MOFs) have been successfully synthesized under hydrothermal condition using 4,40-(hexafluoroisopropylidene) bis(benzoic acid) (C(17)H(10)F(6)O(4), H(2)hfbba) as a flexible dicarboxylate building block, Cu(+2) and various heterocyclic co-ligands. These F-MOFs formulated as [Cu(hfbba)(phen)(2)]center dot 2(H(2)hfbba)(H(2)O)(HCO(2)) (F-MOF-1), [Cu(hfbba)(2)(2,2{\textquoteright}-bipy) 2(H(2)O)] (F-MOF-2), [Cu(hfbba)(4,4{\textquoteright}-dime-2,2{\textquoteright}-bipy)(HCO(2))]center dot(hfbba)(H(2)O) (F-MOF-3), [Cu(2)(hfbba)(2)(3-mepy)(2)]center dot(DMF) 2(3-mepy) (F-MOF-4), and [Cu(hfbba)(2)(phen)(2)]center dot 0.5(DMF) (F-MOF5) (hfbba = 4,4{\textquoteright}-(Hexafluoroisopropylidene) bis(benzoate), phen 1,1{\textquoteright}-phenanthroline; 2,2{\textquoteright}-bipy 2,2{\textquoteright}-bipyridine; 4,4{\textquoteright}dime-2,2{\textquoteright}-bipy 4,4{\textquoteright}-dimethyl 2,2{\textquoteright}-bipyridine; 3-mepy 3-methyl-pyridine and DMF dimethyl formamide) display interesting H-bonded, 1D and 2D structural features. All these F-MOFs were structurally determined by single-crystal X-ray diffraction. F-MOF-1 and 5 form a distorted octahedral Cu(+2) secondary building unit (SBU). F-MOF-5 forms a one-dimensional architecture constructed from Cu(2+) ions bridged by phen anions and two types of 4 hfbba ligands while in F-MOF-1, two among the three acid co-ligands are not coordinated with Cu(2+) ions. F-MOF-2 displays dinuclear SBUs within the three-dimensional frameworks whereas F-MOF-3 displays mononuclear SBUs and forms a one-dimensional chain. F-MOF-4 display a interesting 2D framework with conventional Cu(2)(CO(2))(4) paddle wheel SBU. In the crystal structures four hfbba ligands, each coordinated to a dicopper paddlewheel unit via one of their carboxylate groups. Solid-state properties such as UV-vis and thermal stability of F-MOF-1-5 have also been studied.

}, issn = {1466-8033}, doi = {10.1039/b917483d}, author = {Pachfule, Pradip and Dey, Chandan and Panda, Tamas and Banerjee, Rahul} } @article { ISI:000282663700004, title = {Synthesis of acrolein by gas-phase dehydration of glycerol over silica supported bronsted acidic ionic liquid catalysts}, journal = {Journal of Chemical Technology and Biotechnology}, volume = {85}, number = {10}, year = {2010}, month = {OCT}, pages = {1319-1324}, publisher = {JOHN WILEY \& SONS LTD}, address = {THE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W SUSSEX, ENGLAND}, abstract = {

BACKGROUND: Glycerol has become readily available as a byproduct from the biodiesel industry. High functionality and relatively low price make it a potential building block to produce value-added derivatives such as acrolein. RESULTS: Dehydration of glycerol to acrolein was performed over several silica supported Bronsted acidic ionic liquids as catalysts. All the catalysts prepared were active for the synthesis of acrolein (conversion of glycerol was observed in the range 35-90\% with selectivity to acrolein in the range 29-58\%). CONCLUSIONS: Catalyst prepared from triphenyl (3-sulfopropyl) phosphonium 4-methylbenzenesulfonate gave good activity and selectivity at 4 h reaction time. The conversion of glycerol decreased with increase in glycerol concentration. Higher temperature (325 degrees C) resulted in significantly lower conversion as well as selectivity to acrolein. With the use of two additional traps cooled to -7 degrees C, the selectivity to acrolein increased significantly for good catalysts. (C) 2010 Society of Chemical Industry

}, keywords = {acidic ionic liquids, acrolein, glycerol dehydration, supported catalyst}, issn = {0268-2575}, doi = {10.1002/jctb.2434}, author = {Munshi, Mudassir K. and Lomate, Samadhan T. and Deshpande, Raj Madhukar and Rane, Vilas H. and Kelkar, Ashutosh A.} } @article { ISI:000276083200006, title = {Synthesis of azepane and nojirimycin iminosugars: the sharpless asymmetric epoxidation of D-glucose-derived allyl alcohol and highly regioselective epoxide ring opening using sodium azide}, journal = {Tetrahedron-Asymmetry}, volume = {21}, number = {2}, year = {2010}, month = {FEB}, pages = {163-170}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2010.01.007}, author = {Jadhav, Vrushali H. and Bande, Omprakash P. and Puranik, Vedavati G. and Dhavale, Dilip D.} } @article { ISI:000276490800006, title = {Synthesis of eight-membered iminocyclitols from D-glucose}, journal = {Tetrahedron}, volume = {66}, number = {15}, year = {2010}, month = {APR0}, pages = {2830-2834}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {Baylis-Hillman reaction, Conjugate addition, diastereoselectivity, Iminosugars}, issn = {0040-4020}, doi = {10.1016/j.tet.2010.02.044}, author = {Jadhav, Vrushali H. and Bande, Omprakash P. and Puranik, Vedavati G. and Dhavale, Dilip D.} } @article { ISI:000276804800005, title = {Synthesis of (-)-galantinic acid via iterative hydrolytic kinetic resolution and tethered aminohydroxylation}, journal = {Tetrahedron}, volume = {66}, number = {17}, year = {2010}, month = {APR}, pages = {3159-3164}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A new synthetic strategy for (-)-galantinic acid is reported using iterative hydrolytic kinetic resolution and tethered aminohydroxylation as the key steps. (C) 2010 Elsevier Ltd. All rights reserved.

}, keywords = {1, 2-Aminoalcohol, 3-Diol, Iterative hydrolytic kinetic resolution, selectivity, Tethered aminohydroxylation}, issn = {0040-4020}, doi = {10.1016/j.tet.2010.02.093}, author = {Dubey, Abhishek and Kauloorkar, Shruti Vandana and Kumar, Pradeep} } @article { ISI:000282259600001, title = {Systems approach to investigating host-pathogen interactions in infections with the biothreat agent Francisella. constraints-based model of Francisella tularensis}, journal = {BMC Systems Biology}, volume = {4}, year = {2010}, month = {AUG}, pages = {118}, publisher = {BIOMED CENTRAL LTD}, address = {236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND}, abstract = {

Background: Francisella tularensis is a prototypic example of a pathogen for which few experimental datasets exist, but for which copious high-throughout data are becoming available because of its re-emerging significance as biothreat agent. The virulence of Francisella tularensis depends on its growth capabilities within a defined environmental niche of the host cell. Results: We reconstructed the metabolism of Francisella as a stoichiometric matrix. This systems biology approach demonstrated that changes in carbohydrate utilization and amino acid metabolism play a pivotal role in growth, acid resistance, and energy homeostasis during infection with Francisella. We also show how varying the expression of certain metabolic genes in different environments efficiently controls the metabolic capacity of F. tularensis. Selective gene-expression analysis showed modulation of sugar catabolism by switching from oxidative metabolism (TCA cycle) in the initial stages of infection to fatty acid oxidation and gluconeogenesis later on. Computational analysis with constraints derived from experimental data revealed a limited set of metabolic genes that are operational during infection. Conclusions: This integrated systems approach provides an important tool to understand the pathogenesis of an ill-characterized biothreat agent and to identify potential novel drug targets when rapid target identification is required should such microbes be intentionally released or become epidemic.

}, issn = {1752-0509}, doi = {10.1186/1752-0509-4-118}, author = {Raghunathan, Anu and Shin, Sookil and Daefler, Simon} } @article { ISI: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:000276061200012, title = {Ultrasound-triggered release of ibuprofen from a chitosan-mesoporous silica composite - a novel approach for controlled drug release}, journal = {Macromolecular Symposia}, volume = {287}, year = {2010}, note = {4th International Symposium on Macro-and Supramolecular Architectures and Materials, Dusseldorf, GERMANY, SEP 07-11, 2008}, month = {JAN}, pages = {80-88}, publisher = {Int Union Pure \& Appl Chem; German Res Fdn}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {

In this work, an attempt was made to synthesize a novel Chitosan-Mesoporous silica (CS-MS) hybrid composite to design a drug delivery system based on ultrasound triggered stimuli-responsive smart release. The in-vitro drug release properties of both the Mesoporous Silica (MS) and Chitosan (CS) hybrids were investigated. Ibuprofen (Ibu) was used as a model drug. The results from powder X-Ray diffraction (XRD) patterns, and BET N(2) adsorption isotherms exhibited that MS can accommodate drug molecules into the lumen of the channels and pores. Drug release, stimulated by temperature and pH of the release media was also investigated. We studied the Ultrasound (US) triggered release of Ibu in a simulated body fluid (pH 7.4). The results exhibited that US can be used as a non-invasive technique for drug release from polymeric materials. The enhancing effect of ultrasound on drug release is due to the Cavitation effect, without causing any significant destruction on the polymer morphology.

}, keywords = {Chitosan, drug delivery systems, ibuprofen, Mesoporous silica, Ultrasound}, issn = {1022-1360}, doi = {10.1002/masy.201050111}, author = {Depan, Dilip and Saikia, Lakshi and Singh, Raj Pal} } @article { ISI:000276341700068, title = {Understanding the reactivity properties of Au-n (6 <= n <= 13) clusters using density functional theory based reactivity descriptors}, journal = {Journal of Physical Chemistry C}, volume = {114}, number = {14}, year = {2010}, month = {APR}, pages = {6690-6703}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

{Relativistic density functional theory (DFT) based calculations have been performed on gold clusters with six to thirteen atoms (Au-n

}, issn = {1932-7447}, doi = {10.1021/jp1004852}, author = {De, Himadri Sekhar and Krishnamurty, Sailaja and Pal, Sourav} } @article { ISI:000274869900014, title = {Vanadia-titania thin films for photocatalytic degradation of formaldehyde in sunlight}, journal = {Applied Catalysis A-General}, volume = {374}, number = {1-2}, year = {2010}, month = {FEB}, pages = {103-109}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {Formaldehyde, Methylene blue, Photocatalysis, Sunlight, Thin films, V(2)O(5)/TiO(2)}, issn = {0926-860X}, doi = {10.1016/j.apcata.2009.11.035}, author = {Akbarzadeh, Rokhsareh and Shubhangi B. Umbarkar and Sonawane, Ravindra S. and Takle, Srikant and Dongare, Mohan K.} } @article { ISI:000295235200041, title = {Ab initio and periodic DFT investigation of hydrogen storage on light metal-decorated MOF-5}, journal = {International Journal of Hydrogen Energy}, volume = {36}, number = {17}, year = {2011}, month = {AUG}, pages = {10816-10827}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The effect of light metal (M = Li, Be, Mg, and Al) decoration on the stability of metal organic framework MOF-5 and its hydrogen adsorption is investigated by ab initio and periodic density functional theory (DFT) calculations by employing models of the form BDC:M-2:nH(2) and MOF-5:M-2:nH(2), where BDC stands for the benzenedicarboxylate organic linker and MOF-5 represents the primitive unit cell. The suitability of the periodic DFT method employing the GGA-PBE functional is tested against MP2/6-311 + G* and MP2/cc-pVTZ molecular calculations. A correlation between the charge transfer and interaction energies is revealed. The metal-MOF-5 interactions are analyzed using the frontier molecular orbital approach. Difference charge density plots show that H-2 molecules get polarized due to the charge generated on the metal atom adsorbed over the BDC linker, resulting in electrostatic guest-host interactions. Our solid state results show that amongst the four metal atoms, Mg and Be decoration does not stabilize the MOF-5 to any significant extent. Li and Al decoration strengthened the H-2-MOE-5 interactions relative to the pure MOF-5 exhibited by the enhanced binding energies. The hydrogen binding energies for the Li- and Al-decorated MOF-5 were found to be sensible for allowing reversible hydrogen storage at ambient temperatures. A high hydrogen uptake of 4.3 wt.\% and 3.9 wt.\% is also predicted for the Li- and Al-decorated MOF-5, respectively. Copyright (C) 2011, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved.

}, keywords = {ab initio calculations, Density functional theory, Hydrogen binding energies, Hydrogen storage, Metal-Pi-Arene interactions}, issn = {0360-3199}, doi = {10.1016/j.ijhydene.2011.05.165}, author = {Dixit, Mudit and Maark, Tuhina Adit and Pal, Sourav} } @article { ISI:000294572800023, title = {Antifungal activity of novel synthetic peptides by accumulation of reactive oxygen species (ROS) and disruption of cell wall against Candida albicans}, journal = {Peptides}, volume = {32}, number = {8}, year = {2011}, month = {AUG}, pages = {1732-1740}, publisher = {ELSEVIER SCIENCE INC}, address = {360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA}, abstract = {

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

}, keywords = {Antifungal peptides, Candida albicans, Cell wall, ROS}, issn = {0196-9781}, doi = {10.1016/j.peptides.2011.06.003}, author = {Maurya, Indresh Kumar and Pathak, Sarika and Sharma, Monika and Sanwal, Hina and Chaudhary, Preeti and Tupe, Santosh and Deshpande, Mukund V. and Chauhan, Virander Singh and Prasad, Rajendra} } @article { ISI:000291262700018, title = {Aromatic bromination of aldehydes and ketones using 1,3-di-n-butylimidazolium tribromide [BBIm]Br3 ionic liquids under solvent-free conditions}, journal = {Journal of the Iranian Chemical Society}, volume = {8}, number = {2}, year = {2011}, month = {JUN}, pages = {531-536}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

An environmentally benign and efficient process for the preparation of monobromo derivatives of aryl aldehydes and ketones was developed by simple and practical reactions of aryl aldehydes or ketones with 1,3-di-n-butylimidazolium tribromide ([BBIm]Br-3), as a brominating reagent under solvent-free conditions in very high yields. The process has several advantages: high conversions, short reaction time, mild reaction conditions, simple workup with good to quantitative yields and re-usable ionic liquid.

}, keywords = {Bromination, green chemistry, Ionic liquid, Solvent-free, [BBIm]Br-3}, issn = {1735-207X}, doi = {10.1007/BF03249087}, author = {Borikar, Sanjay P. and Daniel, Thomas} } @article { ISI:000292893300014, title = {Assembly of polyethyleneimine in the hexagonal mesophase of nonionic surfactant: effect of pH and temperature}, journal = {Journal of Physical Chemistry B}, volume = {115}, number = {29}, year = {2011}, month = {JUL}, pages = {9059-9069}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

We investigate the dispersion of a pH responsive polymer, polyethyleneimine, PEI, in a hexagonal (H(1)) mesophase of a nonionic surfactant, C(12)E(9), and water, at pH ranging from basic (pH = 12.8) to acidic (pH = 1). While the C(12)E(9)/H(2)O phase behavior is independent of pH, we demonstrate that, in the PEI/C(12)E(9)/H(2)O system, changing the pH influences PEI-C(12)E(9) interactions, and thus, influences the isotropic-H(1) phase transition. With decrease in pH, there is increasing protonation of the PEI chain, and consequently, the chain extends. We show, using a combination of SAXs, optical microscopy and visual experiments, that the inclusion of PEI in a 1:1 surfactant water mixture, lowers the hexagonal-isotropic transition temperature, T. At higher pH = 12.8 T(HI) shows a pronounced decrease from SO to 13 degrees C on addition of PEI, and the PEI/C(12)E(9)/H(2)O system forms a transparent gel. At pH = 1, we observe qualitatively different behavior and an opaque gel forms below T(HI)= 25 degrees C. The isotropic-H(1) transition, in turn, influences the phase separation of PEI chains from the C(12)E(9)/H(2)O system. 2D NMR ROESY data provides evidence that there are strong surfactant PEI interactions at high pH that significantly reduce at lower pH. The NMR data is in accord with molecular dynamics simulations that show that surfactants strongly aggregate with unprotonated PEI chains, but not with fully protonated chains; thus, in this system, the pH controls a cascade of microstructural organization: increasing pH decreases chain protonation and increases polymer-surfactant interactions, resulting in suppression of the isotropic-H(1) transition to lower temperatures, thus, influencing the phase separation of PEI from the surfactant/water system.

}, issn = {1520-6106}, doi = {10.1021/jp202614x}, author = {Sharma, Kamendra P. and Choudhury, Chandan Kumar and Srivastava, Sonal and Davis, Hilda C. and Rajamohanan, P. R. and Roy, Sudip and Kumaraswamy, Guruswamy} } @article { ISI:000296414700021, title = {Assimilatory potential of helicoverpa armigera reared on host (chickpea) and nonhost (cassia tora) diets}, journal = {Journal of Proteome Research}, volume = {10}, number = {11}, year = {2011}, month = {NOV}, pages = {5128-5138}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Adaptation to plant allelochemicals is a crucial aspect of herbivore chemical ecology. To understand an insect ecology, we studied an effect of nonhost Cassia tora seed-based diet (Ct) on growth, development, and molecular responses in Helicoverpa armigera. We employed a comparative approach to investigate the proteomic differences in gut, hemolymph, and frass of H. armigera reared on a normal (chickpea seed-based, Cp) and Ct diet. In this study, a total of 46 proteins were identified by nano-LC-MS(E). Among them, 17 proteins were up-regulated and 29 proteins were down-regulated when larvae were exposed to the Ct diet. Database searches combined with GO analysis revealed that gut proteases engrossed in digestion, proteins crucial for immunity, adaptive responses to stress, and detoxification were down-regulated in the Ct fed larvae. Proteins identified in H. armigera hemolymph were found to be involved in defense mechanisms. Moreover, proteins found in frass of the Ct fed larvae were observed to participate in energy metabolism. Biochemical and quantitative real-time PCR analysis of selected candidate proteins showed differential gene expression patterns and corroborated with the proteomic data. Our results suggest that the Ct diet could alter expression of proteins related to digestion, absorption of nutrients, adaptation, defense mechanisms, and energy metabolism in H. armigera.

}, keywords = {adaptation, Cassia tora, Gene expression, Helicoverpa armigera, proteomics}, issn = {1535-3893}, doi = {10.1021/pr200591m}, author = {Dawkar, Vishal V. and Chikate, Yojana R. and Gupta, Vidya S. and Slade, Susan E. and Giri, Ashok P.} } @article { ISI:000296873900005, title = {Asymmetric first total syntheses and assignment of absolute configuration of oxazinin-5, oxazinin-6 and preoxazinin-7}, journal = {Organic \& Biomolecular Chemistry}, volume = {9}, number = {23}, year = {2011}, month = {SEP}, pages = {7990-7992}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Asymmetric first total syntheses of the unprecedented toxins oxazinin-5, oxazinin-6 and preoxazinin-7 have been achieved from a common key intermediate 18, derived from a regiocontrolled Sharpless asymmetric aminohydroxylation and oxa-Michael reaction, which in addition to confirming the structure also established the absolute configuration of the natural products. On the way an expeditious synthesis of a metabolite bursatellin was completed in 8 steps.

}, issn = {1477-0520}, doi = {10.1039/c1ob06320k}, author = {Dethe, Dattatraya H. and Ranjan, Alok and Pardeshi, Vijendra H.} } @article { ISI:000286862200012, title = {Asymmetric total synthesis of (2S,3S)-3-hydroxypipecolic acid}, journal = {Tetrahedron Letters}, volume = {52}, number = {3}, year = {2011}, month = {JAN}, pages = {404-406}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A synthetic route to (2S,3S)-3-hydroxypipecolic acid was achieved from readily available nonchiral pool starting material cis-2-butene-1,4-diol and involved Claisen orthoester rearrangement, Sharpless asymmetric dihydroxylation and intramolecular lactamisation of azido lactone as the key steps. (C) 2010 Elsevier Ltd. All rights reserved.

}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2010.11.062}, author = {Chavan, Subhash P. and Dumare, Nilesh B. and Harale, Kishor R. and Kalkote, Uttam R.} } @article {42570, title = {Auxin signaling and transport promote susceptibility to the root-infecting fungal pathogen fusarium oxysporum in arabidopsis}, journal = {Molecular Plant-Microbe Interactions}, volume = {24}, year = {2011}, month = {JUN}, pages = {733-748}, doi = {10.1094/MPMI-08-10-0194}, author = {Kidd, Brendan N. and Kadoo, Narendra Y. and Dombrecht, Bruno and Tekeoglu, Muecella and Gardiner, Donald M. and Thatcher, Louise F. and Aitken, Elizabeth A. B. and Schenk, Peer M. and Manners, John M. and Kazan, Kemal} } @article { ISI:000299148200039, title = {Azide derivatized anticancer agents of vitamin K-3: X-ray structural, DSC, resonance spectral and API studies}, journal = {Journal of Molecular Structure}, volume = {1006}, number = {1-3}, year = {2011}, month = {DEC}, pages = {288-296}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Compound 1 [1-imino (acetyl hydrazino)-Vitamin K-3], displays valence tautomerically related electronic isomers as Form land Form II. Form I exhibits 2D packing fragment with 1D ribbon chains of N-H center dot center dot center dot O hydrogen bonds and shows EPR silent features. While Form II is EPR active and exhibits biradical nature with double quantum transitions at g = 2.0040. H-1 NMR of compound 2, [1-imino (hydrazino carboxylate)-Vitamin K-3] and Form II exhibit pi delocalization via resonance assisted H-bonding [RAHB] effect compared to Form I. Molecular interactions in Form I and II are visualized by DSC. The electronic structures of compounds 1 and 2 have been correlated to their API values by measuring anticancer activities, mitochondrial potentials and DNA shearing patterns. Form II and compound 2 indicate mitochondria mediated apoptosis (similar to 75\% cell death) while Form I causes 35\% cell death. (C) 2011 Elsevier B.V. All rights reserved.

}, keywords = {Anticancer agents, API (Active Pharmaceutical Ingredients), Electronic isomers, RAHB (resonance assisted H-bonding), Vitamin K-3}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2011.09.022}, author = {Badave, Kirti D. and Patil, Yogesh and Gonnade, Rajesh G. and Srinivas, Darbha and Dasgupta, Rajan and Khan, Ayesha A. and Rane, Sandhya} } @article { ISI:000293587300003, title = {Biocompatible gellan gum-reduced gold nanoparticles: cellular uptake and subacute oral toxicity studies}, journal = {Journal of Applied Toxicology}, volume = {31}, number = {5}, year = {2011}, month = {JUL}, pages = {411-420}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {

Currently gold nanoparticles are being explored for drug delivery and other biomedical applications; therefore it is necessary to study the fate of such nanoparticles inside the body. The objective of the present study was to investigate the cellular uptake and toxicity of the gold nanoparticles synthesized using a microbial polysaccharide, gellan gum, as a capping and reducing agent. The cellular uptake of gold nanoparticles was studied on mouse embryonic fibroblast cells, NIH3T3 and human glioma cell line, LN-229. The cellular uptake study indicated that the gellan gum-reduced gold nanoparticles were located in cancer cells (LN-229) while no uptake was observed in normal mouse embryonic fibroblast cells (NIH3T3). The toxicity of the gold nanoparticles was evaluated by carrying out subacute 28 day oral toxicity studies in rats. Subacute administration of gum-reduced gold nanoparticles to the rats did not show any hematological or biochemical abnormalities. The weight and normal architecture of various organs did not change compared with control. The current findings, while establishing the specific uptake of nanoparticles into cancerous cells, also demonstrates that the gellan gum-reduced gold nanoparticles are devoid of toxicity in animals following oral administration. Copyright (c) 2010 John Wiley \& Sons, Ltd.

}, keywords = {cell lines, cellular uptake, Gellan gum, gold nanoparticles, subacute toxicity}, issn = {0260-437X}, doi = {10.1002/jat.1595}, author = {Dhar, Sheetal and Mali, Vishal and Bodhankar, Subhash L. and Shiras, Anjali and Bhagavatula L. V. Prasad and Pokharkar, Varsha} } @article { ISI:000287428900016, title = {Bioethanol production from renewable polymer lichenan using lichenase from an alkalothermophilic thermomonospora sp and thermotolerant yeast}, journal = {Fuel Processing Technology}, volume = {92}, number = {3}, year = {2011}, month = {MAR}, pages = {401-406}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Biomass feedstocks available decentrally will be more commodious for localized biorefinery approach than the exhaustive large scale and centralized plants driven by cost intensive technology. Lichen is present in a wide range of habitats in a distributed manner. A maximum hydrolysis of 73\%-76\% for lichenan from Cetraria islandica, Usnea barbata and Parmelia sp. were obtained in 24 h using lichenase from an alkalothermophilic Thermomonospora sp. wherein the hydrolysis was 100\% with commercial enzyme Accellerase (TM) 1000. The synergistic role of beta-glucosidase in lichenan hydrolysis was demonstrated by the exogenous addition of beta-glucosidase to Thermomonospora lichenase which resulted in complete hydrolysis. The hydrolysates of lichenan obtained using Accellerase or a cocktail of Thermomonospora lichenase and beta-glucosidase when fermented with free cells of Saccharomyces at 40 degrees C produced an ethanol yield of 0.45 g/g-0.48 g/g with theoretical conversion efficiencies of 93\%-96\%. The Ca-alginate immobilized yeast cells were reused eight times at 40 degrees C with 100\% fermentation efficiency. (C) 2010 Elsevier B.V. All rights reserved.

}, keywords = {Ethanol, Hydrolysis, Lichenan, Lichenase, Synergism, Thermotolerant yeast}, issn = {0378-3820}, doi = {10.1016/j.fuproc.2010.10.001}, author = {Menon, Vishnu and Divate, Rupesh and Rao, Mala} } @article { ISI:000294678600026, title = {Biogenic synthesis of silver nanoparticles using nicotiana tobaccum leaf extract and study of their antibacterial effect}, journal = {African Journal of Biotechnology}, volume = {10}, number = {41}, year = {2011}, month = {AUG}, pages = {8122-8130}, publisher = {ACADEMIC JOURNALS}, address = {P O BOX 5170-00200 NAIROBI, VICTORIA ISLAND, LAGOS 73023, NIGERIA}, abstract = {

A green synthesis of silver nanoparticle was carried out using tobacco leaf extract. Synthesized nanoparticles were characterized using UV-Vis absorption spectroscopy, TEM, EDAX, FT-IR and photoluminescence study, respectively. UV-Vis absorption spectroscopy of prepared silver colloidal solution showed absorption maxima at 418 nm. Excitation maximum and emission maximum obtained from photoluminescence study were found at 414 and 576 nm, respectively. TEM analysis showed average particle size of 8 nm, while SAED pattern confirmed the crystalline nature of synthesized nanoparticles. FT-IR analysis indicated the involvement of carboxyl (-C = O), hydroxyl (-OH) and amine (-NH) functional groups of tobacco leaf extract in preparation of silver nanoparticles. EDAX analysis showed proportion of silver (54.55\%) among other elements in nanoparticle. Pseudomonas aeruginosa and Escherichia coli DH5 alpha showed highest sensitivity towards silver nanoparticles.

}, keywords = {FT-IR spectroscopy, photoluminescence, silver nanoparticles, Tobacco, UV-Vis absorption}, issn = {1684-5315}, author = {Prasad, Kumar Suranjit and Pathak, Darshit and Patel, Ankita and Dalwadi, Palak and Prasad, Ram and Patel, Pradip and Selvaraj, Kaliaperumal} } @article { ISI:000291335600078, title = {Biological control of cyanobacteria using polyphosphate accumulating bacteria isolated from activated sludge}, journal = {Journal of Pure and Applied Microbiology}, volume = {5}, number = {1}, year = {2011}, month = {APR}, pages = {469-471}, publisher = {DR M N KHAN}, address = {54, NEAR POST OFFICE, THANA ST, BHOPAL, SHAHJAHANABAD 462 001, INDIA}, abstract = {

Increased input of nutrients into water body leads to massive proliferation of cyanobacteria and other algae. This ultimately results in the eutrophication of the water body. The cyanobacterial blooms exert negative environmental impacts such as extensive growth of alga, bad odor, decline in dissolved oxygen, production of cyanotoxin, decreased growth of submerged aquatic organisms and change in taste of water. This results into reduction in qualitative and quantitative properties of water. Various chemical based methods of eutrophication control are suggested by researchers but those endanger the aquatic ecosystem. Considering hazardous effect of chemical agents, biological agents may be used more safely. Here we have shown that polyphosphate accumulating bacteria (PABs) isolated from activated sludge are efficient in reducing cyanobacterial blooms up to 95.56\% by trapping phosphorus in metapolyphosphate form. This is the first study that provides direct evidence that use of these microorganisms gives promising result in controlling cyanobacterial blooms and consequently eutrophication process without affecting the ecosystem of water body.

}, keywords = {Cyanobacterial blooms, Eutrophication, Metapolyphosphate accumulating bacteria}, issn = {0973-7510}, author = {Dudhane, Amol and Mhaindarkar, Vaibhav P.} } @article { ISI:000289455200019, title = {Biomimetic total syntheses of flinderoles B and C}, journal = {Journal of the American Chemical Society}, volume = {133}, number = {9}, year = {2011}, month = {MAR}, pages = {2864-2867}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A simple and efficient biomimetic synthesis of pyrrolo[1,2-a]indoles using a highly stereo- and regioselective [3 + 2] reaction cascade was developed and then further applied in the first total synthesis of flinderoles B and C, which proceeded in 17.2\% yield over the longest linear sequence of 11 steps.

}, issn = {0002-7863}, doi = {10.1021/ja1116974}, author = {Dethe, Dattatraya H. and Erande, Rohan D. and Ranjan, Alok} } @article {42530, title = {Borazine as a sensor for fluoride ion: a computational and experimental study}, journal = {Tetrahedron Letters}, volume = {52}, year = {2011}, month = {MAY}, pages = {3636{\textendash}3639}, abstract = {

The computational and experimental studies have revealed that even simple molecule like borazine can act as a sensor for fluoride ions. This study further reported the various binding modes of analytes using quantum chemical calculations and the nature of such interactions have been examined using electron density surface analysis. Total charge transfer analysis (qCT) correlates well with the binding affinities of analytes with the borazine receptor.

}, doi = {10.1016/j.tetlet.2011.05.018}, author = {Kesharwani, Manoj K. and Suresh, Moorthy and Das, Amitava and Ganguly, Bishwajit} } @article { ISI:000287176600009, title = {Carbon nanotube-modified sodium dodecyl sulfate-polyacrylamide gel electrophoresis for molecular weight determination of proteins}, journal = {Analytical Biochemistry}, volume = {409}, number = {2}, year = {2011}, month = {FEB}, pages = {230-235}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

The effect of incorporating carbon nanotubes (CNTs) in the gel matrix on the electrophoretic mobility of proteins based on their molecular weight differences was investigated using sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE). More specifically, a reduction in standard deviation in the molecular weight calibration plots by 55\% in the case of multiwalled carbon nanotubes (MWCNTs) and by 34\% in the case of single-walled carbon nanotubes (SWCNTs) compared with that of pristine polyacrylamide gels was achieved after incorporating an insignificant amount of functionalized CNTs into the gel matrix. A mechanism based on a more uniform pore size distribution in CNT modified polyacrylamide gel matrix is proposed. Furthermore, the impact of SWCNTs and MWCNTs on the mobility of proteins in different molecular weight regimes at a given acrylamide concentration offers a tunable gel matrix in terms of the selection of molecular weight ranges of proteins. The robustness and excellent reproducibility of the CNT-PAGE protocol are expected to have a significant impact on the molecular weight determination of newly isolated proteins. (C) 2010 Elsevier Inc. All rights reserved.

}, keywords = {Carbon nanotubes, Gel electrophoresis, Molecular weight determination, Polyacrylamide, Protein separation}, issn = {0003-2697}, doi = {10.1016/j.ab.2010.10.021}, author = {Parthasarathy, Meera and Debgupta, Joyashish and Kakade, Bhalchandra A. and Ansary, Abu Ayoobul and Khan, Mohammad Islam and Pillai, Vijayamohanan K.} } @article { ISI:000296527900089, title = {Ceria-zirconia mixed oxides as thermal resistant catalysts for the decomposition of nitrous oxide at high temperature}, journal = {Catalysis Today}, volume = {176}, number = {1}, year = {2011}, note = {2nd International Symposium on Air Pollution Abatement Catalysis (APAC), Cracow, POLAND, SEP 08-11, 2011}, month = {NOV}, pages = {453-457}, publisher = {French GDFSUEZ Co}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

This present study deals with the development of thermally stable catalysts for the decomposition of nitrous oxide. There is actually a growing interest to minimise the emissions of nitrous oxide (N(2)O) as side-product from nitric acid plants due to a global warming potential of approximately 300 times higher than that of CO(2). Different strategies have already been implemented at industrial scale but they are still suffering from significant drawbacks essentially associated to a poor selectivity and sometimes a short lifetime in particular when the catalytic process is inserted downstream the ammonia burner. In those critical conditions, with high residual temperature of similar to 900 degrees C, significant surface and bulk reconstructions take place and then lead to drastic losses of specific surface area and related catalytic performances in the decomposition of N(2)O to N(2). Previous investigations performed in our laboratory revealed the potentiality of zirconia particularly after yttria incorporation [Appl. Catal. B 62 (2005) 236]. Novel developments of more stable ceria-zirconia based catalysts are reported in this study. Further stabilisation and enhancement in activity have been discussed on the basis of oxygen mobility related to structural properties. (C) 2010 Elsevier B.V. All rights reserved.

}, keywords = {Ceria-zirconia based catalysts, Greenhouse gas, N(2)O catalytic decomposition, Nitric acid plant, Nitrous oxide}, issn = {0920-5861}, doi = {10.1016/j.cattod.2010.10.068}, author = {Esteves, P. and Wu, Y. and Dujardin, Christophe and Dongare, Mohan K. and Granger, P.} } @article { ISI:000296204100007, title = {Chlorate ion mediated rutile to anatase reverse phase transformation in the TiO2 nanosystem}, journal = {Dalton Transactions}, volume = {40}, number = {43}, year = {2011}, month = {SEP}, pages = {11374-11377}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Rutile TiO2 nanoneedles (8 nm x 100 nm) synthesized at room temperature by anodization in perchloric acid (pH \< 1) are shown to undergo an interesting reverse phase transformation to anatase nanoparticles (8 nm) at 300 degrees C only if the chlorate ions are maintained in the ambient medium. When chlorate ions are removed by multiple washing, the rutile phase and the needle morphology are maintained. The mechanism of formation of the ion-stabilized solid and its thermal evolution is discussed.

}, issn = {1477-9226}, doi = {10.1039/c1dt11288k}, author = {Bhosale, Reshma and Hyam, Rajeshkumar S. and Dhanya, P. and Ogale, Satishchandra B.} } @article {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 {42532, title = {Comparative study of porphyrin derivatives in monolayers at the air-water interface and in langmuir-blodgett films}, journal = {Thin Solid Films}, volume = {519}, year = {2011}, month = {MAR}, pages = {8066{\textendash}8073}, abstract = {

The orientation and aggregation of various porphyrin derivatives at the air{\textendash}water interface and in Langmuir{\textendash}Blodgett films were investigated. Monolayer properties of these molecules, where long alkyl chain(s) were covalently bound through different functionality of varying hydrophilicity were studied by measuring surface pressure area isotherms. Such derivatives, where ether functionality (functionalities) was (were) used for linking long alkyl chain(s), did not form uniform monolayer; instead they were found to form multilayer clusters or aggregates on the water surface. On the other hand, porphyrin derivative functionalized at the four peripheral phenyl rings with eight hexadecyl ether chains formed stable spherical vesicles when deposited on mica. Tetra N-alkyl pyridinium porphyrins with long alkyl chain were found to form various phases on the water surface. Evidence of transition from horizontal orientation to vertical orientation of porphyrin rings of porphyrin molecules having C14 chains was observed. This type of transition was lost with the porphyrin molecule with a relatively smaller chain (C8).

}, doi = {10.1016/j.tsf.2011.02.082}, author = {Ghosh, Amrita and Mahato, Prasenjit and Choudhury, Sipra and Das, Amitava} } @article {42538, title = {Competitive binding of Ba2+and Sr2+ to 18-crown-6 in a receptor with a 1-methoxyanthraquinone analogue as the other binding site}, journal = {Europian Journal of Inorganic Chemistry}, year = {2011}, month = {OCT}, pages = {4680{\textendash}4690}, abstract = {

Owing to their immense biological significance, development of sensors for the selective detection of alkaline earth metal ions has attracted vast research interest. In this article we have reported the synthesis, characterisation and ion binding studies of a new RuII-polypyridyl-crown-anthraquinone complex (5). Studies confirm selective binding of BaII, SrII and CaII ions, with Kmath image \> Kmath image \>\> Kmath image, over all other metal ions, to the crown ether moiety and not to the methoxy anthraquinone component, the latter being the second binding site available and known for its affinity towards alkaline earth metal ions from one of our previous reports.

}, doi = {10.1002/ejic.201100472}, author = {Banerjee, Tanmay and Suresh, Moorthy and Ghosh, Hirendra N. and Das, Amitava} } @article { ISI:000293516200047, title = {Competitive wetting of acetonitrile and dichloromethane in comparison to that of water on functionalized carbon nanotube surfaces}, journal = {Physical Chemistry Chemical Physics}, volume = {13}, number = {32}, year = {2011}, month = {JUL}, pages = {14668-14674}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Differential wetting of pristine and ozonized carbon nanotubes has been studied using solvents like acetonitrile and dichloromethane in comparison to the well-known wetting behavior of water. Based on their unique structural and physical properties, functionalized CNT substrates have been used due to the fact that independent variation in molecular as well as electronic properties could be controlled by understanding the wetting of these liquids on carbon nanotubes (CNTs), both pristine as well as ozone treated. The sensitivity of the wetting behavior with respect to molecular interactions has been investigated using contact angle measurements while Raman and XPS studies unravel the differential wetting behavior. Charge-transfer between adsorbed molecules and CNTs has been identified to play a crucial role in determining the interfacial energies of these two liquids, especially in the case of acetonitrile. Ozone treatment has been observed to affect the surface properties of pristine CNTs along with a concomitant change in the wetting dynamics.

}, issn = {1463-9076}, doi = {10.1039/c1cp21121h}, author = {Debgupta, Joyashish and Kakade, Bhalchandra A. and Pillai, Vijayamohanan K.} } @article { ISI:000291061500032, title = {Conformational transitions in ariesaema curvatum lectin: characterization of an acid induced active molten globule}, journal = {Journal of Fluorescence}, volume = {21}, number = {2}, year = {2011}, month = {MAR}, pages = {753-763}, publisher = {SPRINGER/PLENUM PUBLISHERS}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Biophysical characterization of a lectin from Ariesaema curvatum (ACL) was carried out using steady state as well as time resolved fluorescence and CD spectroscopy under various denaturing conditions. An intermediate with altered tryptophan microenvironment was detected in the phase diagram, which exibited pronounced secondary structure and hemagglutinating activity in presence of 0.25 M Gdn-HCl. An acid induced molten- globule like structure possessing activity and higher thermostability was detected. Transition to the molten globule state was reversible in nature. The lectin retained hemagglutinating activity even after incubation at 95 A degrees C. Both chemical and thermal unfolding of the lectin were found to consist of multistate processes. Fluorescence quenching of ACL was strong with acrylamide and KI. The single tryptophan was found to be surrounded by high density of the positively charged amino acid residues as shown by a ten fold higher K(sv) for KI compared to that for CsCl. The average lifetime of tryptophan fluorescence increased from 1.24 ns in the native state to 1.72 ns in the denatured state.

}, keywords = {Araceae, Fluorescence lifetime, Hemagglutinin, Molten globule, Secondary structure, Thermostability, Unfolding}, issn = {1053-0509}, doi = {10.1007/s10895-010-0766-2}, author = {Sharma, Urvashi and Gaikwad, Sushama M. and Suresh, C. G. and Dhuna, Vikram and Singh, Jatinder and Kamboj, Sukhdev Singh} } @article { ISI:000291899200004, title = {Convenient and efficient protocol for the synthesis of acylals catalyzed by bronsted acidic ionic liquids under ultrasonic irradiation}, journal = {Ultrasonics Sonochemistry}, volume = {18}, number = {5}, year = {2011}, month = {SEP}, pages = {928-931}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The synthesis of acylals (1,1-diacetates) via the reactions of aldehydes with acetic anhydride was carried Out in 85-97\% yields at room temperature under ultrasound irradiation catalyzed by the Bronsted acidic ionic liquid [bmpy]HSO(4). This method provides several advantages, such as solvent-free conditions, operational simplicity, higher yields, and reduced environmental consequences. The ionic liquid was recovered and reused. (C) 2011 Elsevier B.V. All rights reserved.

}, keywords = {1, 1-Butyl-3-methylpyridinium hydrogen sulfate, 1-Diacetates, Acylals, Ionic liquid, Solvent-free, Ultrasonic irradiation}, issn = {1350-4177}, doi = {10.1016/j.ultsonch.2011.03.022}, author = {Borikar, Sanjay P. and Daniel, Thomas} } @article { ISI:000291139700014, title = {Convenient formal synthesis of (2S,3S)-3-hydroxy pipecolic acid}, journal = {Tetrahedron-Asymmetry}, volume = {22}, number = {5}, year = {2011}, month = {MAR}, pages = {587-590}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A convenient synthesis of (2S,3S)-3-hydroxy pipecolic acid starting from inexpensive and easily available L-(+)-tartaric acid has been described. (C) 2011 Elsevier Ltd. All rights reserved.

}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2011.02.023}, author = {Chavan, Subhash P. and Harale, Kishor R. and Dumare, Nilesh B. and Kalkote, Uttam R.} } @article { ISI:000288517400019, title = {Correlation of architecture with excimer emission in 100\% pyrene-labeled self-assembled polymers}, journal = {Journal of Polymer Science Part A-Polymer Chemistry}, volume = {49}, number = {7}, year = {2011}, month = {APR}, pages = {1678-1690}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {

Pyrene was incorporated as pendant unit to side-chain urethane methacrylate polymers having a short ethyleneoxy or a long polyethyleneoxy spacer segment. The short-spacer pyrene urethane methacrylate was also incorporated either as block or random copolymer (1:9) along with polystyrene. The excimer emission was observed to be different for different polymers with the random copolymer exhibiting the lowest efficiency. But, the total quantum yield was highest (phi = 0.58) for random copolymer due to the high emission coefficient of monomer compared to that of excimer. The polymer dynamics were compared by steady state emission and fluorescence decay in THF or THF/water (9:1) solvent mixture and films. The solid state decay profile showed decay without a rise time indicating presence of ground state aggregates. In THF/water (9:1), the decay profile at the excimer emission (500 nm) showed a rise time indicating dynamic excimers. The evolution of excimeric emission centred similar to 430 or similar to 480 nm as a function of temperature was also studied in THF/water (9:1). The I(E)/I(M) ratio for the lambda(343) nm excitation exhibited steady increase with temperature with the block copolymer PS-b-PIHP exhibiting the highest ratio and highest rate of increase; whereas, the random copolymer PS-r-PIHP had the lowest I(E)/I(M) ratios. (C) 2011 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 49: 1678-1690, 2011

}, keywords = {I(E)/I(M) ratio, Morphology, pyrene, Self-assembly, structure-property relations, time-resolved and variable temperature fluorescence}, issn = {0887-624X}, doi = {10.1002/pola.24596}, author = {Kaushlendra, K. and Deepak, V. D. and Asha, S. K.} } @article { ISI:000287363500022, title = {Cytotoxicity of sophorolipid-gellan gum-gold nanoparticle conjugates and their doxorubicin loaded derivatives towards human glioma and human glioma stem cell lines}, journal = {Nanoscale}, volume = {3}, number = {2}, year = {2011}, month = {JAN}, pages = {575-580}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Biocompatible gold nanoparticles were synthesized by using a naturally occurring gum-Gellan Gum-as a capping and reducing agent. These were further conjugated with sophorolipids which again were accessed through a biochemical transformation of a fatty acid. The cellular uptake of sophorolipid-conjugated gellan gum reduced gold nanoparticles and their cytotoxicity on human glioma cell line LN-229 and human glioma stem cell line HNGC-2 were investigated. Quite surprisingly even the simple sophorolipid-conjugated gellan gum reduced/capped gold nanoparticles showed greater efficacy in killing the glioma cell lines and, gratifyingly, the glioma stem cell lines also. The cytotoxic effects became more prominent once the anti cancer drug doxorubicin hydrochloride was also conjugated to these gold nanoparticles.

}, issn = {2040-3364}, doi = {10.1039/c0nr00598c}, author = {Dhar, Sheetal and Reddy, E. Maheswara and Prabhune, Asmita and Pokharkar, Varsha and Shiras, Anjali and Bhagavatula L. V. Prasad} } @article { ISI: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:000295275200035, title = {Design and in situ synthesis of a Cu-based porous framework featuring isolated double chain magnetic character}, journal = {Chemical Communications}, volume = {47}, number = {39}, year = {2011}, month = {SEP}, pages = {11008-11010}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A Cu-based double chain MOF was synthesized in hydrothermal conditions using an in situ ligand formation method. This double chain MOF shows temperature dependent ferromagnetic (long range ordering) and antiferromagnetic (intra double chain) coupling. The magnetic behaviour originating from the individual double chain remains almost same even after structural collapse due to the removal of guest water molecules.

}, issn = {1359-7345}, doi = {10.1039/c1cc13418c}, author = {Dey, Chandan and Das, Raja and Saha, Binoy Krishna and Poddar, Pankaj and Banerjee, Rahul} } @article {42526, title = {Diamine derivative of a ruthenium(II)-polypyridyl complex for chemodosimetric detection of nitrite ion in aqueous solution}, journal = {Inorganica Chimica Acta}, volume = {372}, year = {2011}, month = {FEB}, pages = {115{\textendash}119}, abstract = {

Nitrite is quite an abundant anion in the environment. It, however, becomes toxic to human life, as well as aquatic animals when present above the permissible concentration level. We have reported here a Ru(II)-polypyridyl-based complex (1) for chemodosimetric detection of nitrite ion in aqueous solution. Formation of the new triazole based complex, generated by reaction of 1 and N2O3, is ascertained by comparing its properties with a presynthesised triazole complex.

}, doi = {10.1016/j.ica.2011.01.066}, author = {Ghosh, Amrita and Das, Priyadip and Saha, Sukdeb and Banerjee, Tanmay and Bhatt, Harshad B. and Das, Amitava} } @article { ISI:000288438500030, title = {Dibutyl phthalate, a secondary metabolite from mimusops elengi}, journal = {Chemistry of Natural Compounds}, volume = {46}, number = {6}, year = {2011}, month = {JAN}, pages = {955-956}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, issn = {0009-3130}, doi = {10.1007/s10600-011-9793-8}, author = {Ruikar, A. D. and Gadkari, T. V. and Phalgune, U. D. and Puranik, Vedavati G. and Deshpande, N. R.} } @article { ISI: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: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:000291715300005, title = {Electrochemical unzipping of multi-walled carbon nanotubes for facile synthesis of high-quality graphene nanoribbons}, journal = {Journal of the American Chemical Society}, volume = {133}, number = {12}, year = {2011}, month = {MAR}, pages = {4168-4171}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Here we report a remarkable transformation of carbon nanotubes (CNTs) to nanoribbons composed of a few layers of graphene by a two-step electrochemical approach. This consists of the oxidation of CNTs at controlled potential, followed by reduction to form graphene nanoribbons (GNRs) having smooth edges and fewer defects, as evidenced by multiple characterization techniques, including Raman spectroscopy, atomic force microscopy, and transmission electron microscopy. This type of {\textquoteleft}{\textquoteleft}unzipping{\textquoteright}{\textquoteright} of CNTs (single-walled, multi-walled) in the presence of an interfacial electric field provides unique advantages with respect to the orientation of CNTs, which might make possible the production of GNRs with controlled widths and fewer defects.

}, issn = {0002-7863}, doi = {10.1021/ja1101739}, author = {Shinde, Dhanraj B. and Debgupta, Joyashish and Kushwaha, Ajay and Aslam, Mohammed and Pillai, Vijayamohanan K.} } @article { ISI:000288848900007, title = {Enantiospecific route to (+)-(1R, 3S)-cis-chrysanthemic acid from (-)-D-pantolactone(1)}, journal = {Synthesis-Stuttgart}, number = {7}, year = {2011}, month = {APR}, pages = {1067-1070}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

In this paper, a novel route for the synthesis of (+)-(1R,3S)-cis-chrysanthemic acid is described. The use of readily available (-)-D-pantolactone as a starting point, application of ring-closing metathesis to form the cyclopentene intermediate, and Haller-Bauer/Grob-type fragmentation to form the target compound are the highlights of the present synthesis.

}, keywords = {alkenes, Metathesis, ring closure, stereoselective synthesis, Wittig reaction}, issn = {0039-7881}, doi = {10.1055/s-0030-1258451}, author = {Hajare, Atul K. and Datrange, Laxmikant S. and Murthy, Y. L. N. and Bhuniya, Debnath and Reddy, D. Srinivasa} } @article { ISI: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:000291832600007, title = {Enhanced DSSC performance with high surface area thin anatase TiO2 nanoleaves}, journal = {Solar Energy}, volume = {85}, number = {6, SI}, year = {2011}, month = {JUN}, pages = {1213-1219}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Thin anatase TiO2 nanoleaves (NLs) with high surface area (similar to 93 m(2)/g) are synthesized by hydrothermal route and dye-sensitized solar cells (DSSC) made using such NLs are compared with those made with hydro-thermally synthesized TiO2 nanoparticles and the Degussa P25 powder. The NLs-based DSSCs show increment of 16\% and 24\% in the total conversion efficiency over the cells made with NPs and P25 respectively. Interestingly, the highest increment in the conversion efficiency (similar to 35\%) is achieved for cells made using a 50:50 (wt/wt) mixture of NLs and NPs. In this case the dye loading is found to be \>50\% higher than the case of NP films. Moreover the DC resistance of diffusion of I-3(-) in electrolyte (as revealed by the electrochemical impedance spectroscopy) is substantially lower than the NP film case, other cell parameters being nominally comparable. (C) 2011 Elsevier Ltd. All rights reserved.

}, keywords = {Dye-sensitized solar cells, Electrochemical impedance spectroscopy, hydrothermal}, issn = {0038-092X}, doi = {10.1016/j.solener.2011.02.029}, author = {Dhas, Vivek V. and Muduli, Subas and Agarkar, Shruti A. and Rana, Abhimanyu and Hannoyer, Beatrice and Banerjee, Rahul and Ogale, Satishchandra B.} } @article { ISI:000293491600007, title = {Esterification of fatty acids with glycerol over Fe-Zn double-metal cyanide catalyst}, journal = {Catalysis Communications}, volume = {12}, number = {14}, year = {2011}, month = {AUG}, pages = {1302-1306}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Solid Fe-Zn double-metal cyanide (DMC) complex exhibits high catalytic activity for esterification of fatty acids (FA) with glycerol. DMC catalysts with varying acidities were prepared by synthesizing the material at four different temperatures (10, 25, 50 and 80 degrees C). The catalyst prepared at 50 degrees C exhibited highest catalytic activity. Catalytic activity of DMC was influenced by both acidity and surface area. Complete conversion of FA was achieved at 140-200 degrees C under atmospheric pressure. Chain length of FA was found to influence the rate of reaction and product selectivity. (C) 2011 Elsevier B.V. All rights reserved.

}, keywords = {Acid-catalyzed reaction, Double-metal cyanide (DMC), Esterification of fatty acid, Fatty acid glycerides, solid acid catalyst}, issn = {1566-7367}, doi = {10.1016/j.catcom.2011.05.008}, author = {Kotwal, Mehejabeen and Deshpande, Suvarna S. and Srinivas, D.} } @article { ISI:000287281900003, title = {Esterification of levulinic acid to n-butyl levulinate over heteropolyacid supported on acid-treated clay}, journal = {Journal of Natural Gas Chemistry}, volume = {20}, number = {1}, year = {2011}, month = {JAN}, pages = {18-24}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Levulinic acid has been identified as a promising green, biomass-derived platform chemical. n-Butyl levulinate is used as an important intermediate having diverse applications. The present work focuses on the synthesis of n-butyl levulinate by esterification of levulinic acid with n-butanol using heteropolyacid (HPA) supported on acid-treated clay montmorillonite (K10). 20\% (w/w) dodecatungestophosphoric acid (DTPA) supported on K10 was found to be the most efficient catalyst with 97\% levulinic acid conversion and 100\% selectivity towards n-butyl levulinate. Effects of various process parameters were studied to examine the efficacy of 20\% (w/w) DTPA/K10 for optimization of the activity.

}, keywords = {dodectungestophosphoric acid, K10, levulinic acid, n-butanol, n-Butyl levulinate}, issn = {1003-9953}, doi = {10.1016/S1003-9953(10)60147-8}, author = {Dharne, S. and Bokade, Vijay V.} } @article { ISI:000294359100090, title = {Evidence of lateral heat transfer during laser assisted atom probe tomography analysis of large band gap materials}, journal = {Applied Physics Letters}, volume = {99}, number = {8}, year = {2011}, month = {AUG}, pages = {Article No. 084101}, publisher = {AMER INST PHYSICS}, type = {Article}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {

Investigation of wustite (FeO), iron (Fe), and silicon (Si) specimens by infrared laser assisted three dimensional atom probe tomography shows evidence of confined surface absorption of the laser energy as the mechanism of laser assisted field evaporation for high band gap materials. The absorption region is shown to be located on the laser illumination side, close to the specimen apex. A simple model based on thermal diffusivity and spatial extent of the absorption region is derived and applied to the experimental results. The values of thermal diffusivity thus obtained are in good agreement with the published data. (C) 2011 American Institute of Physics. [doi:10.1063/1.3622647]

}, issn = {0003-6951}, doi = {10.1063/1.3622647}, author = {Bachhav, Mukesh N. and Danoix, R. and Vurpillot, F. and Hannoyer, Beatrice and Ogale, Satishchandra B. and Danoix, F.} } @article {42524, title = {Exciton-coupled charge-transfer dynamics in a porphyrin J-aggregate/TiO 2 complex}, journal = {Chemistry a European Journal}, volume = {17}, year = {2011}, month = {MAR}, pages = {3458{\textendash}3464}, abstract = {

Exciton-coupled charge-transfer (CT) dynamics in TiO2 nanoparticles (NP) sensitized with porphyrin J-aggregates has been studied by femtosecond time-resolved transient absorption spectroscopy. J-aggregates of 5,10,15-triphenyl-20-(3,4-dihydroxyphenyl) porphyrin (TPPcat) form CT complexes on TiO2 NP surfaces. Catechol-mediated strong CT coupling between J-aggregate and TiO2 NP facilitates interfacial exciton dissociation for electron injection into the conduction band of the TiO2 nanoparticle in pulse width limited time (\<80 fs). Here, the electron-transfer (\<80 fs) process dominates over the intrinsic exciton-relaxation process (J-aggregates: ca. 200 fs) on account of exciton-coupled CT interaction. The parent hole on J-aggregates is delocalized through J-aggregate excitonic coherence. As a result, holes immobilized on J-aggregates are spatially less accessible to electrons injected into TiO2, and thus the back electron transfer (BET) process is slower than that of the monomer/TiO2 system. The J-aggregate/porphyrin system shows exciton spectral and temporal properties for better charge separation in strongly coupled composite systems.

}, doi = {10.1002/chem.201002537}, author = {Verma, Sandeep and Ghosh, Amrita and Das, Amitava and Ghosh, Hirendra Nath} } @article { ISI:000288386600076, title = {Ex-situ dispersion of core-shell nanoparticles of Cu-Pt on an in situ modified carbon surface and their enhanced electrocatalytic activities}, journal = {Chemical Communications}, volume = {47}, number = {13}, year = {2011}, month = {FEB}, pages = {3951-3953}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Direct dispersion of core-shell nanoparticles on a carbon support (Cu@ Pt/C) has been achieved while retaining the essential core-shell features of the nanoparticles by adopting an in situ surface modification-cum-anchoring strategy.

}, issn = {1359-7345}, doi = {10.1039/c0cc05645f}, author = {Dhavale, Vishal M. and Unni, SreeKuttan M. and Kagalwala, Husain N. and Pillai, Vijayamohanan K. and Kurungot, Sreekumar} } @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:000288677200073, title = {Ferrocene based organometallic gelators: a supramolecular synthon approach}, journal = {Soft Matter}, volume = {7}, number = {7}, year = {2011}, month = {FEB}, pages = {3634-3641}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The supramolecular synthon namely primary ammonium dicarboxylate (PAD) synthon has been exploited to generate a new series of salt based low molecular weight gelators (LMWGs) derived from ferrocenedicarboxylic acid (FDCA) and primary amines Me-(CH2)(n)-NH2 (n = 3-15). While most of the salts are capable of forming gels with DMSO and DMF, nearly all of them show a tendency to form gels with at least one of the solvents studied. Structure property correlation based on single crystal and powder X-ray diffraction data in combination with optical-, scanning-, and transmission-electron microscopy reveals that the supramolecular synthon approach adopted herein for designing LMWGs is indeed useful and allows one to get an easy access to a new series of organometallic gelators.

}, issn = {1744-683X}, doi = {10.1039/c0sm01148g}, author = {Sahoo, Pathik and Puranik, Vedavati G. and Patra, A. K. and Sastry, P. U. and Dastidar, Parthasarathi} } @article { ISI:000294386000007, title = {Finite temperature behavior of gas phase neutral Au-n (3 <= n <= 10) clusters: a first principles investigation}, journal = {Journal of Physical Chemistry C}, volume = {115}, number = {35}, year = {2011}, month = {SEP}, pages = {17278-17285}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

{Relativistic density functional theory (DFT) based molecular dynamical simulations are performed on gold clusters with 3-10 atoms (Au-n

}, issn = {1932-7447}, doi = {10.1021/jp2023605}, author = {De, Himadri Sekhar and Krishnamurty, Sailaja and Mishra, Deepti and Pal, Sourav} } @article {42523, title = {Folding and unfolding movements in a [2]pseudorotaxane}, journal = {Journal of Organic Chemistry}, volume = {76}, year = {2011}, month = {DEC}, pages = {138{\textendash}144}, abstract = {

A new dibenzo[24]crown-8 derivative (1) was synthesized and functionalized with aromatic moieties such as naphthalene and coumarin units. These two fluorophores are known to form an effective FRET (Forster resonance energy transfer) pair, and this formed the basis for the design of this host crown ether derivative. Results of the steady-state and time-resolved fluorescence studies confirmed the resonance energy transfer between the donor naphthalene moiety and acceptor coumarin fragment, while NMR spectra and computational studies support a folded conformation for the uncomplexed crown ether 1. This was found to form an inclusion complex, a [2]pseudorotaxane type with imidazolium ion derivatives as the guest molecules with varying alkyl chain lengths ([C4mim]+ or [C10mim]+). The host crown ether (1) tends to adopt an open conformation on formation of the interwoven inclusion complex (1{\textperiodcentered}[C4mim]+ or 1{\textperiodcentered}[C10mim]+). This change in conformation, from the folded to a open one, was predicted by computational as well as 1H NMR studies and was confirmed by single crystal X-ray structure for one (1{\textperiodcentered}[C4mim]+) of the two inclusion complexes. The increase in the effective distance between the naphthalene and coumarin moieties in the open conformation of these inclusion complexes was also supported by the decrease in the effective FRET process that was operational between naphthalene and coumarin moieties in the free molecule (1). Importantly, this inclusion complex formation was found to be reversible, and in the presence of a stronger base/polar solvent, such as triethyl amine/DMSO, the deprotonation/effective solvation of the cationic imidizolium ions ([C4mim]+ or [C10mim]+) resulted in decomplexation or dethreading with restoration of the original emission spectra for 1, which signifies the subsequent increase in the FRET process. Thus we could demonstrate that a molecular folding-unfolding type of movement in the crown ether derivative could be induced by chemical input as an imidazolium ion.

}, doi = {10.1021/jo101762k}, author = {Suresh, Moorthy and Mandal, Amal Kumar and Kesharwani, Manoj K. and Adarsh, N. N. and Ganguly, Bishwajit and Kanaparthi, Ravi Kumar and Samanta, Anunay and Das, Amitava} } @article { ISI:000293518300007, title = {From graphite oxide to highly water dispersible functionalized graphene by single step plant extract-induced deoxygenation}, journal = {Green Chemistry}, volume = {13}, number = {8}, year = {2011}, month = {JUL}, pages = {1990-1996}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

We report a single step facile synthesis of highly water dispersible functionalized graphene nanosheets by plant extract-induced deoxygenation of graphite oxide (GO). The results of various characterizations reveal that the properties of such plant extract-converted graphene nanosheets (PCGN) are comparable to chemically converted graphene nanosheets (CCG). These results open a green route to the emerging graphene-based technologies.

}, issn = {1463-9262}, doi = {10.1039/c1gc15393e}, author = {Mhamane, Dattakumar and Ramadan, Wegdan and Fawzy, Manal and Rana, Abhimanyu and Dubey, Megha and Rode, Chandrashekhar and Lefez, Benoit and Hannoyer, Beatrice and Ogale, Satishchandra} } @article { ISI:000285387600001, title = {Greener ullmann-type coupling of aryl halides for preparing biaryls using reusable Pd/ZrO2 catalyst}, journal = {Synthetic Communications}, volume = {41}, number = {2}, year = {2011}, month = {JAN}, pages = {PII 931249796}, publisher = {TAYLOR \& FRANCIS INC}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {

Biaryls with excellent yields can be prepared by the Ullmann-type coupling of aryl halides in the presence of potassium carbonate (as a base) and dimethylformamide (as a solvent), at 140 degrees C, using a reusable Pd (2.5wt\%)/ZrO2 catalyst. The product yield of 4-iodoanisole coupling is strongly influenced by the catalyst preparation method, solvent, and base.

}, keywords = {Aryl halides, Biaryls, Pd, Ullmann coupling reaction, ZrO2}, issn = {0039-7911}, doi = {10.1080/00397910903531805}, author = {Dumbre, Deepa K. and Wakharkar, Radhika D. and Choudhary, Vasant R.} } @article { ISI:000296393500028, title = {Growth and structural properties of Mg-N (N=10-56) clusters: density functional theory study}, journal = {Journal of Physical Chemistry A}, volume = {115}, number = {44}, year = {2011}, month = {NOV}, pages = {12307-12314}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Using the minima hopping global geometry optimization method on density functional potential energy surface, we have studied the structural and electronic properties of magnesium clusters for a size range of Mg-N where N = 10-56. Our exhaustive search reveals that most of our global minima are nonsymmetric in the size range above N = 20. We elucidate the evolutionary trend of the entire series and present more details about the peculiar growth of the clusters. For N\> 20, it is possible to divide the cluster into two regions: the core region and the surface region. It turns out that the growth follows a peculiar cyclic pattern where the core and surface grow alternatively. The surface energy, as a function of number of atoms shows a clear signature as the number of atoms in the core increases by one. We have also carried out stability analysis and the stable sizes(magic numbers) agree very well with the experimental magic numbers reported by Diederich [J. Chem. Phys. 2011, 134, 124302]. We point out the similarities and differences between our results and sodium clusters.

}, issn = {1089-5639}, doi = {10.1021/jp204442e}, author = {Heidari, Ideh and De, Sandip and Ghazi, S. M. and Goedecker, Stefan and Kanhere, Dilip G.} } @article { ISI:000295149400011, title = {In situ encapsulation of Pt nanoparticles in mesoporous silica: synthesis, characterisation and effect of particle size on CO oxidation}, journal = {Applied Catalysis A-General}, volume = {403}, number = {1-2}, year = {2011}, month = {AUG}, pages = {91-97}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Pt nanoparticles of narrow size distribution and average particle size of 4.4 nm are isolated exclusively inside SBA-12 mesoporous silica by a novel in situ method. The interaction of Pt precursor with surfactant-polymer composite micelle is followed by NMR and UV studies. The final Pt incorporated silica material is characterised by XRD, TEM and N(2) adsorption. The mesoporous nature of the silica is found to be intact after Pt incorporation without any pore blockage. CO oxidation activity of this material is compared with that of mesoporous silica incorporating different sizes of Pt viz., 1.8, 3.6 and 8 nm. Activation energies of CO oxidation for all these materials are calculated by a simple differential method based on first principles. A comparison of activation energies and single site yields reveals that these parameters are distinguishably less in catalyst containing 1.8 nm Pt nanoparticles but more or less same in catalysts containing 3.6, 4.4 and 8 nm Pt nanoparticles. (C) 2011 Elsevier B.V. All rights reserved.

}, keywords = {CO oxidation, In situ synthesis, Mesoporous silica, Pt nanoparticle}, issn = {0926-860X}, doi = {10.1016/j.apcata.2011.06.016}, author = {Prashar, Atul K. and Mayadevi, S. and Rajamohanan, P. R. and Devi, R. Nandini} } @article { ISI:000293492300024, title = {Influence of Al3+ insertion in the stannosilicate MFI framework on the catalytic performance in vapor phase aniline N-methylation}, journal = {Applied Catalysis A-General}, volume = {401}, number = {1-2}, year = {2011}, month = {JUL}, pages = {182-188}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {Al-Sn-MFI, Aniline, Bronsted and Lewis acid, Methanol, N-methylaniline}, issn = {0926-860X}, doi = {10.1016/j.apcata.2011.05.019}, author = {Niphadkar, P. S. and Joshi, P. N. and Deshpande, Suvarna S. and Bokade, Vijay V.} } @article {42540, title = {Interfacial electron transfer dynamics of two newly synthesized catecholate bound ruII polypyridyl-based sensitizers on TiO2 nanoparticle surface - a femtosecond pump probe spectroscopic study}, journal = {Europian Journal of Inorganic Chemistry}, year = {2011}, month = {SEP}, pages = {4187{\textendash}4197}, abstract = {

Two new catecholate-bound RuII{\textendash}polypyridine based sensitizers, (2,2'-bipyridine){ethyl 3-(4-hydroxyphenyl)-2-[(4'-methyl-2,2'-bipyridinyl-4-carbonyl)amino]propionate}{4-[2-(4'-methyl-2,2'-bipyridinyl-4-yl)vinyl]benzene-1,2-diol)}ruthenium(II) hexafluorophosphate (5) and [(2,2'-bipyridine)-(4-2,2'-bipyridinyl-4-yl-phenol)-(4-{2-(4'-methyl-2,2'-bipyridinyl-4-yl)vinyl}benzene-1,2-diol)]ruthenium(II) hexafluorophosphate (6) with secondary electron-donating groups (tyrosine and phenol, respectively) were synthesized and characterized. Steady-state optical absorption and emission studies confirm strong coupling between the sensitizers and TiO2 nanoparticles. Femtosecond visible transient absorption spectroscopy has been employed to study interfacial electron transfer (IET) dynamics in the dye{\textendash}nanoparticle systems to explore the influence of the secondary electron-donating groups on IET dynamics. Electron injection into the conduction band of nanoparticulate TiO2 has been confirmed by detection of the conduction band electrons in TiO2 ([e{\textendash}]TiO2CB) and radical cation of the adsorbed dye (D{\textperiodcentered}+) in real time monitored by transient absorption spectroscopy. A single exponential and pulse-width limited (\< 100 fs) electron injection has been observed. Back electron transfer (BET) dynamics have been studied by monitoring the decay kinetics of the injected electron in the conduction band of TiO2 and by the recovery of the ground state bleach. BET dynamics in dye{\textendash}TiO2 systems for complexes 5 and 6 have been compared with those of [bis(2,2'-bpy)-(4-{2-(4'-methyl-2,2'-bipyridinyl-4-yl)vinyl}benzene-1,2-diol)]ruthenium(II) hexafluorophosphate (7), which does not have a secondary electron-donating group.

}, doi = {10.1002/ejic.201100411}, author = {Banerjee, Tanmay and Rawalekar, Sachin and Das, Amitava and Ghosh, Hirendra Nath} } @article { ISI:000300460900038, title = {Investigation of wustite (Fe1-xO) by femtosecond laser assisted atom probe tomography}, journal = {Ultramicroscopy}, volume = {111}, number = {6}, year = {2011}, month = {MAY}, pages = {584-588}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

In this paper, we report results obtained from laser assisted three-dimensional (3-D) atom probe tomography (APT) on wustite (Fe1-xO). Oxides are generally insulating and hence hard to analyse in conventional electrical assisted APT. To overcome this problem, femtosecond laser pulses are used instead of voltage pulses. Here we discuss some aspects of pulsed laser field evaporation and optimization of parameters to achieve better chemical accuracy. (C) 2010 Elsevier B.V. All rights reserved.

}, keywords = {Atom probe tomography, Laser assisted field evaporation, Wustite}, issn = {0304-3991}, doi = {10.1016/j.ultramic.2010.11.023}, author = {Bachhav, Mukesh N. and Danoix, R. and Danoix, F. and Hannoyer, Beatrice and Ogale, Satishchandra B. and Vurpillot, F.} } @article { ISI:000285674000014, title = {Investigations of magnetic and dielectric properties of cupric oxide nanoparticles}, journal = {Solid State Communications}, volume = {151}, number = {1}, year = {2011}, month = {JAN}, pages = {55-60}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Cupric oxide nanoparticles of similar to 8-10 nm width and 40-45 nm length self assembled as large particles similar to 1-1 5 mu m have been investigated in the 10-325 K temperature range using magnetic and dielectric measurements In magnetic measurements a single broad peak at similar to 230 K in a zero field cooled sample has been observed Coercivity in magnetization measurements at 10 K suggests that the nanoparticles are core-shell type particles with an antiferromagnetic core and a ferromagnetic shell Dielectric measurements at various frequencies from 3 7 Hz to 949 kHz exhibit a sharp peak at 284 K followed by weak anomalies around 213 and 230 K (C) 2010 Elsevier Ltd All rights reserved

}, keywords = {CuO nanoparticles, Dielectric, Ferroelectric transition, Ferromagnetic}, issn = {0038-1098}, doi = {10.1016/j.ssc.2010.10.024}, author = {Bhalerao-Panajkar, Rohini S. and Shirolkar, Mandar M. and Das, Raja and Maity, Tuhin and Poddar, Pankaj and Kulkarni, S. K.} } @article { ISI: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:000298210100002, title = {Lithium tetrafluoroborate catalyzed highly efficient inter- and intramolecular aza-Michael addition with aromatic amines}, journal = {Comptes Rendus Chimie}, volume = {14}, number = {12}, year = {2011}, month = {DEC}, pages = {1059-1064}, publisher = {ELSEVIER FRANCE-EDITIONS SCIENTIFIQUES MEDICALES ELSEVIER}, address = {23 RUE LINOIS, 75724 PARIS, FRANCE}, abstract = {

Lithium tetrafluoroborate has been demonstrated for the first time to be an efficient catalyst in intermolecular aza-Michael addition aromatic amines to electron deficient alkenes. Suitability of the same catalyst in intramolecular aza-Michael addition leading 2-aryl-2,3-dihydroquinolin-4(1H) ones has also been described. (C) 2011 Published by Elsevier Masson SAS on behalf of Academie des sciences.

}, keywords = {2-aryl-2, 3-dihydroquinolin-(4H)-1-ones, Anilines, Lithium tetrafluoroborate, Michael addition}, issn = {1631-0748}, doi = {10.1016/j.crci.2011.09.006}, author = {Lad, Uday P. and Kulkarni, M. A. and Desai, Uday V. and Wadgaonkar, P. P.} } @article { ISI:000288772300011, title = {Magnetic properties of thermal plasma synthesized nanocrystalline nickel ferrite (NiFe2O4)}, journal = {Journal of Alloys and Compounds}, volume = {509}, number = {12}, year = {2011}, month = {MAR}, pages = {4404-4413}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

A rapid synthesis method is reported for magnetic nanoparticles of nickel ferrite involving thermal plasma assisted vapor phase condensation process. The as-synthesized samples were characterized by X-ray Diffraction, Transmission Electron Microscopy, Vibrating Sample Magnetometer and X-ray Photoelectron Spectroscopy techniques. The average particle size was determined from the TEM micrographs and found to be around 30 nm. The effects of reactor parameters on the magnetic and structural properties have been evaluated, to find the optimized parameters so as to achieve the highest values of saturation magnetization and coercivity. Reasonably high saturation magnetization (48 emu/g) has been assigned to the high degree of crystallinity, achieved on account of high temperature during the growth, and the cation redistribution. The high value of coercivity (1150e) is explained on the basis of possible lattice defects arising from the cation redistribution. Detailed analysis of cation distribution using the XRD line intensity data leads to the conclusion that these samples are iron deficit and nickel rich. (C) 2011 Elsevier B.V. All rights reserved.

}, keywords = {crystal structure, Magnetic measurements, Magnetization, Nanostructured materials, TEM}, issn = {0925-8388}, doi = {10.1016/j.jallcom.2011.01.057}, author = {Nawale, Ashok B. and Kanhe, Nilesh S. and Patil, K. R. and Bhoraskar, S. V. and Mathe, Vikas L. and Das, A. K.} } @article { ISI:000234250400007, title = {Microwave-hydrothermal (MH) synthesis of Ba1-xSrxTiO3 (BST)}, journal = {Ferroelectrics}, volume = {327}, year = {2011}, note = {4th Asian Meeting on Ferroelectricity (AMF-4), Indian Inst Sci, Bangalore, INDIA, DEC 12-15, 2003}, month = {MAR}, pages = {39-43}, publisher = {Dept Sci \& Technol; Defense R\& D Org; Council Sci \& Ind Res; Mat Res Soc India; Indian Inst Sci; IEEE UFFC; Taylor \& Francis Sci Publ; Int Journal FERROELECT}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {

The barium-strontium titanate (BST) powders are used in fabrication of various microelectronic devices (because of their field- \& composition dependent dielectric properties), integrated capacitors \& as thin dielectric layer in DRAM (dynamic random access memories). The utility of MH synthesis route in deriving the BST powders was explored in the present studies under strongly alkaline conditions (pH \> 12). Potassium titanyl oxalate (KTO) and nitrates of Ba \& Sr were used as the starting precursors and KOH as a mineralizer. The typical BST composition, namely, BST with Sr = 0.25 was chosen for the experimentation. All the MH experiments were carried out in the MARS-5 microwave accelerated digestion system (CEM Corpn., USA). The stoichiometric BST powders were obtained under the MH conditions of 200 degrees C, 200 psi, and 30 min when the Ba/Sr ratio (greater than or similar to 3.25) was kept slightly in excess. The acetic acid treated and water washed MH derived powders showed formation of exclusively cubic BST phase (a(0) = 3.992 A degrees) as confirmed by XRD. These powders were further processed in the form of disks and sintered at high temperature (1350 degrees C/4 h) in air to obtain dense (rho \>= 92\%) ceramic bodies. Electrical measurements on the lapped and electroded samples (sintered at 1350 degrees C/4h) revealed epsilon(T-c) = 6800, tan delta = 0.1\% and T-c = 32 degrees C. These properties are comparable to the reported standard data in the literature.

}, issn = {0015-0193}, doi = {10.1080/00150190500316226}, author = {Deshpande, S. B. and Khollam, Y. B. and Potdar, H. S.} } @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:000293168000044, title = {Novel hybrids of fluconazole and furanones: design, synthesis and antifungal activity}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {21}, number = {16}, year = {2011}, month = {AUG}, pages = {4873-4878}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {Antifungal activity, Fluconazole, Furanones}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2011.06.022}, author = {Borate, Hanumant B. and Sawargave, Sangmeshwer P. and Chavan, Subhash P. and Chandavarkar, Mohan A. and Iyer, Ramki and Tawte, Amit and Rao, Deepali and Deore, Jaydeep V. and Kudale, Ananada S. and Mahajan, Pankaj S. and Kangire, Gopinath S.} } @article {43203, title = {Novel pyrazole-3-carboxamide derivatives as cannabinoid-1 (CB1) antagonists: journey from non-polar to polar amides}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {21}, year = {2011}, month = {JAN}, pages = {562-568}, abstract = {The synthesis and biological evaluation of novel pyrazole-3-carboxamide derivatives as CB1 antagonists are described. As a part of eastern amide SAR, various chemically diverse motifs were introduced. In general, a range of modifications were well tolerated. Several molecules with high polar surface area were also indentified as potent CB1 receptor antagonists. The in vivo proof of principle for weight loss is exemplified with a lead compound from this series. (C) 2010 Elsevier Ltd. All rights reserved.}, doi = {10.1016/j.bmcl.2010.10.055}, author = {Sasmal, Pradip K. and Reddy, D. Srinivasa and Talwar, Rashmi and Venkatesham, B. and Balasubrahmanyam, D. and Kannan, M. and Srinivas, P. and Kumar, K. Shiva and Devi, B. Neelima and Jadhav, Vikram P. and Khan, Sanjoy K. and Mohan, Priya and Chaudhury, Hira and Bhuniya, Debnath and Iqbal, Javed and Chakrabarti, Ranjan} } @article { ISI: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 {43371, title = {One pot and single step hydrolytic process for the conversion of lignocellulose into value added chemicals}, number = {PCT/IN2010/000047}, year = {2011}, month = {AUG}, abstract = {The present invention provides a single step hydrolytic process for the conversion of lignocellulose, into value added chemicals wherein said process is catalyzed by at least one heterogeneous solid acid catalyst selected from a group comprising of zeolites, zeolites with Si/metal, mesoporous silica, oxides and phosphates, clays, ion-exchange resins, heteropolyacids, various sulfates, phosphates, selenates, crystalline materials and amorphous materials.}, author = {Dhepe, Paresh Laxmikant and Sahu, Ramakanta} } @article { ISI:000286902200016, title = {One-pot synthesis of 2,4,5-trisubstituted imidazoles using MoO3/SiO2, an efficient and recyclable catalyst}, journal = {Synthetic Communications}, volume = {41}, number = {5}, year = {2011}, month = {JAN}, pages = {PII 932996516}, publisher = {TAYLOR \& FRANCIS INC}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {

[image omitted] A simple one-pot synthesis has been developed for the synthesis of 2,4,5-trisubstituted imidazoles using an efficient and recyclable MoO3/SiO2 solid acid catalyst by condensation of benzil or benzoin, benzaldehyde, and ammonium acetate in acetonitrile as a solvent. Using this solid catalyst, the reactions could be carried out under mild reaction conditions with very good yield of imidazoles, up to 95\%. This catalyst could be recycled very easily, which makes this methodology environmentally benign.

}, keywords = {benzil, benzoin, cyclocondensation, imidazoles, MoO3, One-pot, SiO2, solid acid}, issn = {0039-7911}, doi = {10.1080/00397911003644415}, author = {Bhosale, Sidhanath V. and Kalyankar, Mohan B. and Nalage, Santosh V. and Bhosale, Dattatry S. and Pandhare, Swati L. and Kotbagi, Trupti V. and Shubhangi B. Umbarkar and Dongare, Mohan K.} } @article { ISI:000287273000004, title = {One-pot three-component kabachnik-fields synthesis of alpha-aminophosphonates using H-beta zeolite catalyst}, journal = {Tetrahedron Letters}, volume = {52}, number = {8}, year = {2011}, month = {FEB}, pages = {863-866}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {Carbonyl compound, H-beta zeolite, Primary amine, Substituted phosphite}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2010.11.105}, author = {Tillu, V. H. and Dumbre, Deepa K. and Wakharkar, R. D. and Choudhary, Vasant R.} } @article { ISI:000295552400021, title = {One-step synthesis of 4-alkyl-3-aryl-2,6-dicyanoanilines and their use in the synthesis of highly functionalized 2,3,5,6,7-and 2,3,4,5,7-substituted indoles}, journal = {Tetrahedron Letters}, volume = {52}, number = {42}, year = {2011}, month = {OCT}, pages = {5491-5493}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A three-component, one-step method for the synthesis of 4-alkyl-3-aryl-2,6-dicyanoanilines involving reaction of alkyl aldehyde, malononitrile and aryl aldehyde in presence of morpholine is reported. Highly functionalized 2,3,5,6,7- and 2,3,4,5,7-substituted indoles were prepared from these dicyanoanilines by reaction with ethyl bromoacetate. These substituted dicyanoanilines and indoles have a potential to be converted into various other compounds taking advantage of various functional groups present in these molecules. (C) 2011 Elsevier Ltd. All rights reserved.

}, keywords = {aldehydes, Dicyanoanilines, indoles, Malononitrile}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2011.08.064}, author = {Sawargave, Sangmeshwer P. and Kudale, Ananada S. and Deore, Jaydeep V. and Bhosale, Dattatry S. and Divse, Jaisingh M. and Chavan, Subhash P. and Borate, Hanumant B.} } @article { ISI:000298534500008, title = {Organocatalytic route to the synthesis of (6S)-5,6-dihydro-6-[(2R)-2-hydroxy-6-phenylhexyl]-2H-pyran-2-one and ravensara lactones}, journal = {Tetrahedron-Asymmetry}, volume = {22}, number = {18-19}, year = {2011}, month = {OCT}, pages = {1749-1756}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2011.09.017}, author = {Dwivedi, Namrata and Tripathi, Divya and Kumar, Pradeep} } @article { 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:000296821900021, title = {Perspectives for nano-biotechnology enabled protection and nutrition of plants}, journal = {Biotechnology Advances}, volume = {29}, number = {6}, year = {2011}, month = {NOV}, pages = {792-803}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Indiscriminate use of pesticides and fertilizers causes environmental pollution, emergence of agricultural pests and pathogens, and loss of biodiversity. Nanotechnology, by virtue of nanomaterial related properties, has potential agro-biotechnological applications for alleviation of these problems. The literature pertaining to the role of nanotechnology in plant and soil systems demonstrates that nanomaterials may assist in a) the controlled release of agrochemicals for nutrition and protection against pests and pathogens, b) delivery of genetic material, c) sensitive detection of plant disease and pollutants and d) protection and formation of soil structure. For instance, porous silica (15 nm) and biodegradable, polymeric chitosan (78 nm) nanoparticles displayed slow release of encapsulated pesticide and fertilizer, respectively. Further, nanosized gold (5-25 nm) delivered DNA to plant cells while iron oxide (30 nm) based nanosensors detected pesticides at minute levels. These functions assist the development of precision farming by minimizing pollution and maximizing the value of farming practice. (C) 2011 Elsevier Inc. All rights reserved.

}, keywords = {Biofertilizer, Biopesticides, Controlled delivery, Fertilizer, Genetic material, Nanomaterials, Nanosensors, Pathogen, Pesticides, Residues}, issn = {0734-9750}, doi = {10.1016/j.biotechadv.2011.06.007}, author = {Ghormade, Vandana and Deshpande, Mukund V. and Paknikar, Kishore M.} } @article {42521, title = {Photoactive RuII-polypyridyl complexes that display sequence selectivity and high-affinity binding to duplex DNA through groove binding}, journal = {Chemistry A European Journal}, volume = {17}, year = {2011}, month = {FEB}, pages = {2089{\textendash}2098}, abstract = {

The duplex-DNA binding properties of a nonintercalating polypyridyl ruthenium(II) complex that incorporates a linear extended ligand with a catechol moiety has been probed with a variety of photo- and biophysical techniques. These studies reveal that the complex groove binds to DNA sequences biphasically, and displays binding constants equivalent to those of high-affinity metallointercalators. The complex also displays preferential binding to AT-rich sequences. Changes in the structure of the coordinated catechol ligand and the incorporation of intercalating ancillary ligands into the complex were found to modulate both the optical-binding response and binding parameters of the system, which indicates that the catechol moiety plays a crucial role in the observed enhancement to binding affinities.

}, doi = {10.1002/chem.201002149}, author = {Ghosh, Amrita and Das, Priyadip and Gill, Martin R. and Kar, Prasenjit and Walkar, Michael G. and Thomas, Jim A. and Das, Amitava} } @article {42719, title = {Photocatalytic splitting of CS2 to a carbon-sulfur polymer and S8 catalyzed by a bimetallic ruthenium(II) compound with a tertiary amine binding site - towards photocatalytic splitting of CO2?}, journal = {Inorganic Chemistry}, volume = {50}, year = {2011}, month = {OCT}, pages = {11273{\textendash}11275}, abstract = {

The catalytic photocleavage of CS2 to S8 and a (CxSy)n polymer with visible light using a dinuclear ruthenium(II) compound with a bipyridine units for photoactivity and a vicinal tertiary amine binding site for CS2 activation was studied. The catalyst was characterized by X-ray diffraction, 1H NMR, and 13C NMR, ESI-MS and elemental analysis. CS2 photocleavage was significant (240 turnovers, 20 h) to yield isolable S8 and a (CxSy)n polymer. A mononuclear catalyst or one without an amine binding site showed significantly less activity. XPS of the (CxSy)n polymer showed a carbon/sulfur ratio \~{}1.5{\textendash}1.6 indicating that in part both C{\textendash}S bonds of CS2 had been cleaved. Catalyst was also included within the polymer. The absence of peaks in the 1H NMR verified the (CxSy)n nature of the polymer, while 13C NMR and IR indicated that the polymer had multiple types of C{\textendash}S and C{\textendash}C bonds.

}, doi = {10.1021/ic2008045}, author = {Livanov, Konstantin and Madhu, Vedichi and Balaraman, Ekambaram and Shimon, Linda J. W. and Diskin-Posner, Yael and Neumann, Ronny} } @article {42541, title = {Photophysical properties of ligand localized excited state in ruthenium(ii) polypyridyl complexes: a combined effect of electron donor-acceptor ligand}, journal = {Dalton Trans}, volume = {40}, year = {2011}, month = {AUG}, pages = {9765-9773}, abstract = {

We have synthesized ruthenium(II) polypyridyl complexes (1) Ru(II)(bpy)2(L1), (2) Ru(II)(bpy)2(L2) and (3) Ru(II)(bpy)(L1)(L2), where bpy = 2,2'-bipyridyl, L1 = 4-[2-(4'-methyl-2,2'-bipyridinyl-4-yl)vinyl]benzene-1,2-diol) and L2 = 4-(N,N-dimethylamino-phenyl)-(2,2'-bipyridine) and investigated the intra-ligand charge transfer (ILCT) and ligand{\textendash}ligand charge transfer (LLCT) states by optical absorption and emission studies. Our studies show that the presence of electron donating {\textendash}NMe2 functionality in L2 and electron withdrawing catechol fragment in L1 ligands of complex 3 introduces low energy LLCT excited states to aboriginal MLCT states. The superimposed LLCT and MLCT state produces redshift and broadening in the optical absorption spectra of complex 3 in comparison to complexes 1 and 2. The emission quantum yield of complex 3 is observed to be extremely low in comparison to that of complex 1 and 2 at room temperature. This is attributed to quenching of the 3MLCT state by the low-emissive 3LLCT state. The emission due to ligand localized CT state (ILCT and LLCT) of complexes 2 and 3 is revealed at 77 K in the form of a new luminescence band which appeared in the 670{\textendash}760 nm region. The LLCT excited state of complex 3 is populated either via direct photoexcitation in the LLCT absorption band (350{\textendash}700 nm) or through internal conversion from the photoexcited 3MLCT (400{\textendash}600 nm) states. The internal conversion rate is determined by quenching of the 3MLCT state in a time resolved emission study. The internal conversion to LLCT and ILCT excited states are observed to be as fast as \~{}200 ps and \~{}700 ps for complexes 3 and 2, respectively. The present study illustrates the photophysical property of the ligand localized excited state of newly synthesized heteroleptic ruthenium(II) polypyridyl complexes.

}, doi = {10.1039/C1DT10266D}, author = {Verma, Sandeep and Kar, Prasenjit and Das, Amitava and Ghosh, Hirendra Nath} } @article { ISI: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 {42536, title = {Receptor design and extraction of inorganic fluoride ion from aqueous medium}, journal = {Chemical Communications}, volume = {47}, year = {2011}, month = {MAY}, pages = {7398-7400}, abstract = {

A receptor with acidic methylene hydrogens is found to act as an efficient binding mode for F-. This reagent could as well be used for selective and quantitative extraction of F- from the aqueous solution of NaF and sea water.

}, doi = {10.1039/C1CC11458A}, author = {Das, Priyadip and Mandal, Amal Kumar and Kesharwani, Manoj K. and Suresh, Eringathodi and Ganguly, Bishwajit and Das, Amitava} } @article { ISI:000295856200011, title = {Recurrent somatic embryogenesis and plant regeneration in Angelica glauca Edgew., a critically endangered medicinal plant of the Western Himalaya}, journal = {Journal of Horticultural Science \& Biotechnology}, volume = {86}, number = {5}, year = {2011}, month = {SEP}, pages = {493-498}, publisher = {HEADLEY BROTHERS LTD}, address = {INVICTA PRESS, ASHFORD TN24 8HH, KENT, ENGLAND}, abstract = {

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

}, issn = {1462-0316}, author = {Pandey, Meena and Dhar, Uppeandra and Samant, Sher Singh and Shirgurkar, Mrudul Vijay and Thengane, Shubhada Ratnakar} } @article { ISI:000290940400021, title = {Role of doping-induced photochemical and microstructural properties in the photocatalytic activity of InVO4 for splitting of water}, journal = {Journal of Materials Science}, volume = {46}, number = {16}, year = {2011}, month = {AUG}, pages = {5466-5476}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

We report in this paper on microstructural, optical and photocatalytic properties of single-phase indium orthovanadates, as a function of doping at lattice sites. The UV-visible spectra of these samples exhibited intense UV-region bands at 250 and 350 nm, besides broad absorption band in visible region (350-700 nm). The wavelength at absorption edge and the intensity of visible absorption showed considerable increase on doping of an impurity, particularly at V or O lattice sites. Also, the samples gave rise to blue-green photoluminescence emission, with overriding bands at ca. 420, 450, 460 and 485 nm, on excitation at 240-420 nm wavelengths. The intensity of these fluorescence bands varied with excitation wavelength and impurity content of a sample. In deviation with several earlier studies, only oxygen and no hydrogen were produced during photocatalytic splitting of water, in the experiments conducted under visible light (\> 395 nm) and at a pH of similar to 6.5. The O-2 yield depended on the dispersed metal co-catalyst, impurity content and the addition of methanol as sacrificial reagent. On the other hand, small quantities of hydrogen and no oxygen were evolved on UV-irradiation of pure water using metal/InVO4. These results are ascribed to flat band potentials and the doping-induced inter-band donor and acceptor charge trapping states of InVO4, the presence of which is revealed by XRD, luminescence and XPS studies. Our study also confirms that the onset of absorption edge may not necessarily correspond to band-to-band energy gap of a semiconducting material. This accounts for some anomalous band gap energies reported earlier for InVO4.

}, issn = {0022-2461}, doi = {10.1007/s10853-011-5489-5}, author = {Rakesh, K. and Khaire, S. and Bhange, Deu S. and Dhanasekaran, P. and Deshpande, Suvarna S. and Awate, S. V. and Gupta, N. M.} } @article { ISI:000288529500015, title = {Role of lattice defects and crystallite morphology in the UV and visible-light-induced photo-catalytic properties of combustion-prepared TiO2}, journal = {Materials Chemistry and Physics}, volume = {126}, number = {3}, year = {2011}, month = {APR}, pages = {546-554}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

The physico-chemical, photo-physical and micro-structural properties responsible for the strikingly different photocatalytic behavior of combustion-prepared TiO2 (c.TiO2) and Degussa P25 (d.TiO2) samples are elucidated in this study. Electron microscopy and selected area electron diffraction micrographs revealed that the two samples exhibited different morphologies. The grains of c.TiO2 were spherical and comprised of 5-6 nm size primary particle. On the other hand, d.TiO2 consisted of large (0.5-3.0 mu m) size and irregular shape aggregates having primary particles of 15-40 nm cross-sectional diameter. The ESR study revealed that the presence of certain defect states in c.TiO2 helped in stabilization of O-. and Ti3+-OH type species during room-temperature UV-irradiation. No such paramagnetic species were however formed over d.TiO2 under similar conditions. C1s and Ti 2p XPS spectra provide evidence for the presence of some lattice vacancies in c.TiO2 and also for the bulk Ti4+ -\> Ti3+ conversion during its UV-irradiation. Compared to d.TiO2, c.TiO2 displayed considerably higher activity for discoloration of methyl orange but very poor activity for splitting of water, both under UV and visible light radiations. This is attributed to enhanced surface adsorption of dye molecules over c.TiO2, because of its textural features and also the presence of photo-active ion-radicals. On the other hand, the poor activity of c.TiO2 for water splitting is related to certain defect-induced inter-band charge trapping states in the close vicinity of valence and conduction bands of c.TiO2, as revealed by thermoluminescence spectroscopy. Further, the dispersion of nanosize gold particles gave rise to augmented activity of both the catalysts, particularly for water splitting. This is explained by the promotional role of Au-0 or Au-0/TiO2 interfacial sites in the adsorption and charge-adsorbate interaction processes. (C) 2011 Elsevier B.V. All rights reserved.

}, keywords = {Band-structure, Interfaces, Microstructure, Nanostructures, Semiconductors}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2011.01.029}, author = {Deshpande, Aparna and Madras, Giridhar and Gupta, N. M.} } @article { ISI:000291113200050, title = {Role of micro-structure and interfacial properties in the higher photocatalytic activity of TiO2-supported nanogold for methanol-assisted visible-light-induced splitting of water}, journal = {Physical Chemistry Chemical Physics}, volume = {13}, number = {23}, year = {2011}, month = {MAY}, pages = {11329-11339}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

This paper deals with the textural, microstructural and interfacial properties of Au/TiO2 nanocomposites, in relation to their photocatalytic activity for splitting of water. TiO2 samples of two different morphologies were employed for dispersing different cocatalysts, such as: Au, Pt, Ag or Cu, for the sake of comparison. The samples were characterized using powder XRD, XPS, UV-visible, thermoluminescence, SEM, HRTEM and SAED techniques. Compared to other metal/TiO2 photocatalysts, Au/TiO2 with an optimum gold loading of 1 wt\% was found to exhibit considerably higher activity for visible light induced production of H-2 from splitting water in the presence of methanol. Further, the sol-gel prepared TiO2 (s.TiO2), having spherical grains of 10-15 nm size, displayed better photoactivity than a Degussa P25 catalyst. The electron microscopy investigations on s.TiO2 revealed significant heterogeneity in grain morphology of individual TiO2 particles, exposure of the lattice planes, metal dispersion, and the interfacial metal/TiO2 contacts. The gold particles were found to be in a better dispersed state. O-2 TPD experiments revealed that the gold nanoparticles and Au/TiO2 interfaces may serve as distinct binding sites for adsorbate molecules. At the same time, our thermoluminescence measurements provide an insight into Au-induced new defect states that may facilitate the semiconductor-to-metal charge transfer transition. In conclusion, the superior photocatalytic activity of Au/TiO2 may relate to the grain morphology of TiO2, dispersion of gold particles, and the peculiar architecture of metal/oxide heterojunctions; giving rise in turn to augmented adsorption of reactant molecules and their interaction with the photo-generated e(-)/h(+) pair. The role played by methanol as a sacrificial reagent in photocatalytic splitting of water is discussed.

}, issn = {1463-9076}, doi = {10.1039/c1cp21194c}, author = {Awate, S. V. and Deshpande, Suvarna S. and Rakesh, K. and Dhanasekaran, P. and Gupta, N. M.} } @article { ISI:000287268900024, title = {Room temperature ferromagnetism in undoped and Fe doped ZnO nanorods: microwave-assisted synthesis}, journal = {Journal of Solid State Chemistry}, volume = {184}, number = {2}, year = {2011}, month = {FEB}, pages = {391-400}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

One-dimensional (1D) undoped and Fe doped ZnO nanorods of average length similar to 1 mu m and diameter similar to 50 nm have been obtained using a microwave-assisted synthesis. The magnetization (M) and coercivity (H-c) value obtained for undoped ZnO nanorods at room temperature is similar to 5 X 10(-3) emu/g and similar to 150 Oe, respectively. The Fe doped ZnO samples show significant changes in M -H loop with increasing doping concentration. Both undoped and Fe doped ZnO nanorods exhibit a Curie transition temperature (T-c) above 390 K. Electron spin resonance and Mossbauer spectra indicate the presence of ferric ions. The origin of ferromagnetism in undoped ZnO nanorods is attributed to localized electron spin moments resulting from surface defects/vacancies, where as in Fe doped samples is explained by F center exchange mechanism. (C) 2010 Published by Elsevier Inc.

}, keywords = {Diluted magnetic semiconductors, Nanostructures, ZnO}, issn = {0022-4596}, doi = {10.1016/j.jssc.2010.11.008}, author = {Limaye, Mukta V. and Singh, Shashi B. and Das, Raja and Poddar, Pankaj and Kulkarni, Sulabha K.} } @article { ISI:000287996100027, title = {Selective catalytic oxidation of geraniol to citral with molecular oxygen in supercritical carbon dioxide}, journal = {Applied Catalysis A-General}, volume = {394}, number = {1-2}, year = {2011}, month = {FEB}, pages = {209-214}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Selective catalytic oxidation of geraniol to citral with molecular oxygen in supercritical carbon dioxide (scCO(2)) has been investigated. The catalyst used was a chromium containing mesoporous molecular sieve catalyst viz. CrMCM-41. Comparison studies were performed with CoMCM-41. PtMCM-41 and PdMCM-41 catalysts. Among the various catalysts studied. CrMCM-41 showed a high conversion of geraniol and an excellent selectivity for citral. In contrast CoMCM-41, PtMCM-41 and PdMCM-41 catalysts exhibited low conversion of geraniol. However all three catalysts compared showed similar citral selectivity to CrMCM-41. The effect of CO(2) pressure and reaction temperature geraniol oxidation was studied with CrMCM-41. Supercritical CO(2) medium was found to enhance the conversion of geraniol and/or yield of citral. It was noticed that the catalyst can be recycled with negligible loss of conversion. (C) 2011 Elsevier B.V. All rights reserved.

}, keywords = {Citral, Geraniol, heterogeneous catalyst, Molecular oxygen, Selective oxidation, Supercritical carbon dioxide}, issn = {0926-860X}, doi = {10.1016/j.apcata.2011.01.001}, author = {Dapurkar, Sudhir E. and Kawanami, Hajime and Chatterjee, Maya and Rode, Chandrasekhar V. and Yokoyama, Toshirou and Ikushima, Yutaka} } @article { ISI:000293419700042, title = {Selectivity tailoring in liquid phase oxidation over MWNT-Mn3O4 nanocomposite catalysts}, journal = {Journal of Physical Chemistry C}, volume = {115}, number = {31}, year = {2011}, month = {AUG}, pages = {15440-15448}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Highly selective multiwalled nanotubes (MWNT)-Mn3O4 nano-composite catalyst was designed for liquid phase oxidation of p-cresol, which gave highest selectivity of 90\% to the first step oxidation product, p-hydroxy benzyl alcohol. Mn3O4 nanoparticles and MWNT-Mn3O4 nanocomposites were synthesized by coprecipitation route using mixed precursors under controlled conditions. The phase purity of Mn3O4 and the formation of MWNT-Mn3O4 nanocomposites were confirmed by X-ray diffraction, Raman spectroscopy, and X-ray photoelectron spectroscopy. High-resolution transmission electron microscopy revealed the selective exposure of (101) and (001) planes of Mn3O4 nanoparticles in the MWNT-Mn3O4 composite, while lowering in oxidizing capacity of MWNT-Mn3O4 nanocomposite confirmed by cyclic voltametry was due to incorporation of electron rich MWNT. Thus, selectivity tuning of the new material (MWNT-Mn3O4 nanocomposite) was found to be due to alteration in both geometric as well as electronic properties. A plausible reaction pathway also has been proposed involving the predominant role of nucleophilic lattice oxygen (O2-) species due to exposure of particular crystal planes giving highest selectivity to p-hydroxy benzyl alcohol.

}, issn = {1932-7447}, doi = {10.1021/jp203318n}, author = {Biswal, Mandakini and Dhas, Vivek V. and Mate, Vivek R. and Banerjee, Abhik and Pachfule, Pradip and Agrawal, Kanika L. and Ogale, Satishchandra B. and Rode, Chandrashekhar V.} } @article { ISI:000295422000005, title = {Sesquiterpene lactone, a potent drug molecule from artemisia pallens wall with anti-inflammatory activity}, journal = {Arzneimittel-Forschung-Drug Research}, volume = {61}, number = {9}, year = {2011}, month = {DEC}, pages = {510-514}, publisher = {ECV-EDITIO CANTOR VERLAG MEDIZIN NATURWISSENSCHAFTEN}, address = {BANDELSTOCKWEG 20, POSTFACH 1255, D-88322 AULENDORF, GERMANY}, abstract = {

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

}, keywords = {Anti-inflammatory activity, Artemisia pollens, Asteraceae, Mice, Single crystal x-ray structure}, issn = {0004-4172}, author = {Ruikar, Anjali D. and Misar, Ashwini V. and Jadhav, Ravindra B. and Rojatkar, Supada R. and Mujumdar, Arvind M. and Puranik, Vedavati G. and Deshpande, Nirmala R.} } @article { ISI:000293213600025, title = {Shape preserving chemical transformation of ZnO mesostructures into anatase TiO2 mesostructures for optoelectronic applications}, journal = {Energy \& Environmental Science}, volume = {4}, number = {8}, year = {2011}, month = {AUG}, pages = {2835-2839}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

In this work we report on the synthesis of various ZnO mesostructures (rods, spheres, flakes and flower-like morphologies) by hydrothermal and co-precipitation methods and their remarkable and complete transformation into anatase TiO2 mesostructures with nominally similar shapes using controlled low temperature TiCl4 treatment. Various techniques are used to demonstrate the phase purity and morphology details. Based on the careful examination of the transformation of ZnO rods into TiO2 tubes we suggest a mechanism which embodies initial formation of a thin TiO2 shell on the ZnO surface by ion exchange (Ti4+-Zn2+) followed by Zn diffusion through the shell and its oxidation on the surface. We used these converted TiO2 mesostructures for light harvesting in Dye Sensitized Solar Cells (DSSCs) to enhance the conversion efficiency. It is shown that DSSCs made using a doctor bladed film of TiO2 nanoparticles with an overlayer of TiCl4 treated ZnO flowers yield a solar cell efficiency of 6.9\% which is considerably higher than that with only TiO2 nanoparticle film (5.4\%) of comparable thickness.

}, issn = {1754-5692}, doi = {10.1039/c1ee01515j}, author = {Muduli, Subas and Game, Onkar S. and Dhas, Vivek V. and Yengantiwar, Ashish and Ogale, Satishchandra B.} } @article { ISI:000292776300038, title = {Silver nanoparticle studded porous polyethylene scaffolds: bacteria struggle to grow on them while mammalian cells thrive}, journal = {Nanoscale}, volume = {3}, number = {7}, year = {2011}, month = {JUN}, pages = {2957-2963}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Silver nanoparticle studded scaffolds were prepared by exploiting the Ag+ ion reducing activity of sophorolipids-a class of {\textquoteleft}glycolipids{\textquoteright} that cap the ensuing nanoparticles as well. To achieve this, the porous polyethylene scaffolds are subjected to N-2+H-2 plasma treatment, in the first step. Subsequently the sophorolipids are covalently attached to the amine groups on the polymer surface through simple amide chemistry to yield sophorolipid grafted polymer scaffolds. These are then exposed to Ag+ ions under appropriate conditions leading to the formation of silver nanoparticles immobilized on the polymer scaffolds. It has been found that while bacteria do not survive on these silver studded scaffolds, CHO-K1 cells thrive on them making them good candidates for tissue engineering and bio-implant applications.

}, issn = {2040-3364}, doi = {10.1039/c1nr10154d}, author = {D{\textquoteright}Britto, Virginia and Kapse, Harsha and Babrekar, Harshada A. and Prabhune, Asmita and Bhoraskar, S. V. and Premnath, V. and Bhagavatula L. V. Prasad} } @article {42542, title = {Solvent-dependent aggregation behavior of a new Ru(ii)-polypyridyl based metallosurfactant}, journal = {Chemical Communications}, volume = {47}, year = {2011}, month = {SEP}, pages = {11074-11076}, abstract = {

Variation of the solvent polarity leads to the formation of vesicles and reverse vesicles of a newly synthesized amphiphilic Ru(II)-polypyridyl complex.

}, doi = {10.1039/C1CC13957F}, author = {Mahato, Prasenjit and Saha, Sukdeb and Choudhury, Sipra and Das, Amitava} } @article { ISI:000295757900019, title = {Solvent-free selective oxidation of primary alcohols-to-aldehydes and aldehydes-to-carboxylic acids by molecular oxygen over MgO-supported nano-gold catalyst}, journal = {Catalysis Communications}, volume = {13}, number = {1}, year = {2011}, month = {OCT}, pages = {82-86}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Magnesium oxide supported nano-gold catalyst (prepared by the homogeneous deposition precipitation technique) showed high activity/selectivity and excellent reusability in the oxidation of different primary alcohols and aldehydes to corresponding aldehydes and carboxylic acids, respectively, by molecular oxygen (under atmospheric pressure) in the absence of any solvent. Influence of the catalyst calcination temperature (400-900 degrees C), reaction temperature (50-120 degrees C) and use of different solvents (viz. toluene. p-xylene, DMF or DMSO) on the oxidation reaction has also been studied. (C) 2011 Published by Elsevier B.V.

}, keywords = {Alcohols, aldehydes, Au/MgO, Molecular oxygen, Solvent-free oxidation}, issn = {1566-7367}, doi = {10.1016/j.catcom.2011.07.001}, author = {Choudhary, Vasant R. and Dumbre, Deepa K.} } @article { ISI:000289050100049, title = {Solvothermal synthesis, structure, and properties of metal organic framework isomers derived from a partially fluorinated link}, journal = {Crystal Growth \& Design}, volume = {11}, number = {4}, year = {2011}, month = {APR}, pages = {1215-1222}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Solvothermal reactions of Cu(NO3)(2) center dot 3H(2)O with 4,4{\textquoteright}-(hexafluoroisopropylidene) bis(benzoic acid) (C17H10F6O4, H(2)hfbba) and terminal monodentate ligand 3-methyl pyridine (3-picoline/3-mepy) in the presence of N, N-dimethyl formamide (DMF) and N,N-diethyl formamide (DEF) solvents gave rise to two structurally different two-dimensional (2D) fluorinated metal organic frameworks (F-MOFs). The effect of the choice of solvent has been clearly reflected in the structures obtained. The F-MOFs reported in this paper are formulated as [Cu-2(hfbba)(2)(3-mepy)(2)] center dot (DMF)(2)(3-mepy) (F-MOF-4), [Cu-2(hfbba)(2)(3-mepy)(2)] (Cu-F-MOF-4B), and [Zn-2(hfbba)(2)(3-mepy)(2)] center dot (3-mepy) (Zn-F-MOF-4B) which displays interesting 2D structures with and without interdigitation depending on the solvent used. The structures of these F-MOFs have been determined by X-ray crystallography and further identified by IR spectroscopy, powder X-ray diffraction (PXRD), and thermogravimetric analysis (TGA). The effect of interdigitation has been reflected in the gas adsorption and magnetic properties of these F-MOFs. These F-MOFs also show comparable H-2 and CO2 uptake depending on their structural variation. Temperature-dependent magnetic susceptibility measurements over a wide range of temperatures exhibit dominantly short-range antiferromagnetic behavior, with weak ferromagnetic behavior showing up at very low temperatures, which is evident from opening of the hysteresis loop with a finite value of coercivity in both F-MOF-4 and Cu-F-MOF-4B. We observed a smaller value of mu(eff) per Cu atom and coercivity in Cu-F-MOF-4B than the F-MOF-4 due to relatively larger distances between the neighboring dicopper paddlewheel secondary building unit.

}, issn = {1528-7483}, doi = {10.1021/cg101414x}, author = {Pachfule, Pradip and Das, Raja and Poddar, Pankaj and Banerjee, Rahul} } @article { ISI:000295237400015, title = {Stereoselective synthesis and antimicrobial activity of steroidal C-20 tertiary alcohols with thiazole/pyridine side chain}, journal = {European Journal of Medicinal Chemistry}, volume = {46}, number = {9}, year = {2011}, month = {SEP}, pages = {3681-3689}, publisher = {ELSEVIER FRANCE-EDITIONS SCIENTIFIQUES MEDICALES ELSEVIER}, address = {23 RUE LINOIS, 75724 PARIS, FRANCE}, abstract = {

Stereoselective synthesis of novel steroidal C-20 tertiary alcohols with thiazole and pyridine side chain using Grignard reaction of steroidal ketones and thiazole/pyridine magnesium bromide have been realized. These molecules were evaluated in vitro for their antifungal and antibacterial activities. Most of the compounds exhibited significant antifungal and antibacterial activity against all the tested strains. (C) 2011 Elsevier Masson SAS. All rights reserved.

}, keywords = {antibacterial activity, Antifungal activity, Grignard reaction, Steroid side chain, Steroidal ketones}, issn = {0223-5234}, doi = {10.1016/j.ejmech.2011.05.032}, author = {Shingate, Bapurao B. and Liazra, Braja G. and Salunke, Deepak B. and Pore, Vandana S. and Shirazi, Fazal and Deshpande, Mukund V.} } @article { ISI:000288074100009, title = {Stereoselective synthesis of (-)-galantinic acid}, journal = {Synthesis-Stuttgart}, number = {6}, year = {2011}, month = {MAR}, pages = {901-904}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

An efficient and highly concise synthesis of (-)-galantinic acid has been achieved using an asymmetric allylation reaction of Garner{\textquoteright}s aldehyde.

}, keywords = {Amino alcohol, Chiral pool, iterative asymmetric allylation, Oxidation, stereoselective synthesis}, issn = {0039-7881}, doi = {10.1055/s-0030-1258431}, author = {Dubey, Abhishek and Harbindu, Anand and Kumar, Pradeep} } @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:000285735100021, title = {Structural and selective gas adsorption studies of polyoxometalate and tris(ethylenediamine) cobalt(III) based ionic crystals}, journal = {Crystal Growth \& Design}, volume = {11}, number = {1}, year = {2011}, month = {JAN}, pages = {139-146}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Seven new ionic solids built on polyoxometalate anions and [Co(en)(3)](3+) cations, namely, [Co(en)(3)Mo(8)O(26)(H(3)O)-(Cl)](DMF)(4)(H(2)O) (Co-Mo(8)-DMF), [alpha-PW(12)O(40)][Co(en)(3)]center dot 6DMF (Co-W(12)P-DMF), [alpha-PW(12)O(40)][Co(en)(3)]center dot 6DEF (Co-W(12)P-DEF), [alpha-PMo(12)O(40)][Co(en)(3)]center dot 5.5DMF (Co-Mo(12)P-DMF), [alpha-PMo(12)O(40)][Co(en)(3)]center dot 6DEF (Co-Mo(12)P-DEF), [alpha-SiW(12)O(40)]-[Co(en)(3)](3/2)[Cl](1/2)center dot 6DMF center dot 3H(2)O (Co-W(12)Si-DMF), and [alpha-SiW(12)O(40)][Co(en)(3)]center dot 6DEF (Co-W(12)Si-DEF), have been synthesized from nonaqueous (DMF/DEF) media and characterized by single-crystal X-ray diffraction. We attempt to understand if [Co(en)(3)](3+) cations used in these reaction systems play a crucial role in controlling the assembly of these crystals. These ionic solids, after removal of the DMF or DEF molecules, are found to exhibit size selective H(2) adsorption properties over N(2). The amount of hydrogen adsorption was influenced by POM anion types and their orientations. CoMo(12)P-DEF has the highest (0.9 wt \%) H(2) uptake, and CoW(12)P-DEF has the lowest (0.4 wt \%) uptake among the series when the adsorbate pressure approached 1 atm.

}, issn = {1528-7483}, doi = {10.1021/cg101201b}, author = {Dey, Chandan and Das, Raja and Pachfule, Pradip and Poddar, Pankaj and Banerjee, Rahul} } @article { ISI:000289710700005, title = {Structural, magnetic, and gas adsorption study of a series of partially fluorinated metal-organic frameworks (HF-MOFs)}, journal = {Inorganic Chemistry}, volume = {50}, number = {9}, year = {2011}, month = {MAY}, pages = {3855-3865}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Four new partially fluorinated metal organic frameworks (HF-MOFs) have been synthesized under different solvothermal conditions (H2O or dimethylformamide (DMF)) from transition metal cations [Co2+ and Mn2+], 3-methyl pyridine (3-mepy) and 4,4{\textquoteright}-(hexafluoroisopropylidene) bis(benzoic acid) (C17H10F6O4, H(2)hfbba), to determine the influence of reaction conditions on the formation of MOFs. This family of materials displays a striking degree of structural similarity depending on the solvent of synthesis. HF-MOFs synthesized from H2O [Co-HFMOF-W, Co(liffiba)(3-mepy)(H2O) and Mn-HFMOF-W, Mn(hfbba)(3-mepy)(H2O)] contain three-dimensional connectivity whereas HF-MOFs synthesized from DmF Co-HFMOF-D, [Co-2(hfbba)(2)(3-mepy)(2)]center dot(DMF)(3) and Mn-HFMOE-D, [Mn-2(hfbba)(2)(3-mepy)]center dot(H2O) are two-dimensional in nature. Co-HFMOF-W and Mn-HFMOF-W are iso-structural polymeric materials. Thermal gravimetric analysis performed on as-synthesized HP-MOFs revealed that these compounds have high thermal stability (similar to 350 degrees C). The continuous decrease of the chi T product with decreasing T for Co-HFMOF-D and Co-HFMOF-W respectively indicates the presence of antiferromagnetic exchange interaction between two Co2+ (S = 3/2) metal centers within a duster.

}, issn = {0020-1669}, doi = {10.1021/ic1017246}, author = {Pachfule, Pradip and Das, Raja and Poddar, Pankaj and Banerjee, Rahul} } @article { ISI:000287056000001, title = {Structure determination and dynamics of protein-RNA complexes by NMR spectroscopy}, journal = {Progress in Nuclear Magnetic Resonance Spectroscopy}, volume = {58}, number = {1-2}, year = {2011}, month = {FEB}, pages = {1-61}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, keywords = {Dynamics, NMR spectroscopy, Protein-RNA complex, Structure determination}, issn = {0079-6565}, doi = {10.1016/j.pnmrs.2010.10.001}, author = {Dominguez, Cyril and Schubert, Mario and Duss, Olivier and Ravindranathan, Sapna and Allain, Frederic H. T.} } @article {42529, title = {Studies on [3]pseudorotaxane formation from a bis-azacrown derivative as host and imidazolium ion-derivatives as guest}, journal = {Organic \& Biomolecular Chemistry}, volume = {9}, year = {2011}, month = {MAR}, pages = {4811-4817}, abstract = {

A new host molecule, having two azacrown derivatives bridged by luminescent naphthalene diimide functionality, is found to form a [3]pseudorotaxane derivative with imidazolim ion-based guest molecules in non-polar solvents through hydrogen-bonded adduct formation. Depending upon the length of the covalent linker that links the imidazolium ion and the luminescent naphthalene fragment in the guests, the [3]pseudorotaxane adducts adopt different conformation or orientation with varying π{\textendash}π/donor{\textendash}acceptor interaction. The mechanism for the naphthalene-based luminescence quenching by NDI fragment on adduct formation was found to be a combination of static, as well as dynamic with static quenching as the dominant one.

}, doi = {10.1039/C0OB01106A}, author = {Mandal, Amal Kumar and Suresh, Moorthy and Das, Amitava} } @article { ISI:000298175400040, title = {Studies on the feasibility of recycled polystyrene doped with NLO active meta-Nitroaniline for optoelectronics applications}, journal = {Polymers for Advanced Technologies}, volume = {22}, number = {12}, year = {2011}, month = {DEC}, pages = {1865-1871}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

A Guest-Host system based on meta-Nitroaniline (m-NA) and recycled polystyrene (RPS) susceptible to generate nonlinear optically (NLO) active property such as second harmonic generation (SHG) has been prepared. Pure, sublimed, optical grade, crystalline m-NA is used as a guest and RPS from the disposable packaging waste as available utilized as the host polymer. In this paper we report the effect of NLO active m-NA on the bulk and optical properties of RPS. The purified m-NA was incorporated from 1-10 wt\% in the RPS polymer matrix by conventional solution casting method. Thin, transparent, freestanding films obtained were characterized with optical microscope, scanning electron microscope (SEM), viscosity measurement, and UV-Visible (UV-Vis) spectroscopy for bulk properties evaluation and Nd:YAG laser studies for optoelectronics application such as SHG through frequency doubling. Copyright (C) 2010 John Wiley \& Sons, Ltd.

}, keywords = {frequency doubling, guest-host NLO systems, meta-Nitroaniline, nonlinear optical activity, Polystyrene, second harmonic generation}, issn = {1042-7147}, doi = {10.1002/pat.1685}, author = {Sureshkumar, M. S. and Goyal, R. K. and Negi, Y. S. and Pratheepkumar, A. and Reddy, K. Raghunatha and Singh, R. P. and Dadge, Jagdish W. and Aiyer, Rohini C.} } @article { ISI: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:000298764800037, title = {Synthesis and characterization of CdS/PVA nanocomposite thin films from a complexing agent free system}, journal = {Materials Chemistry and Physics}, volume = {131}, number = {1-2}, year = {2011}, month = {DEC}, pages = {223-229}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

CdS/PVA nanocomposite thin films have been deposited on glass substrates by in situ thermolysis of precursors dispersed in polyvinyl alcohol (PVA). The synthetic technique reported in this study is free from complexing agent and hence no need to control the pH of the solution as in the case of conventional CBD. The as-prepared films were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), selected area electron diffraction (SAED), UV-vis spectroscopy, and photoluminescence (PL) spectra. The XRD and SAED results indicated the formation of CdS nanoparticles with hexagonal phase in the PVA matrix. The photoluminescence and UV-vis spectroscopy revealed that CdS/PVA films showed quantum confinement effect. From the shift in optical band gap, particle sizes were calculated using effective mass approximation (EMA) method and it was found to be in agreement with the results obtained from TEM observations. The SEM results indicated that as grown films were homogeneous with no visible pinholes and cracks. The film prepared at 100 degrees C was found to be suitable for application as a window layer in solar cell. (C) 2011 Elsevier B.V. All rights reserved.

}, keywords = {CdS/PVA, Nanocomposite, Optical properties, Thermolysis}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2011.09.011}, author = {Saikia, Dulen and Saikia, P. K. and Gogoi, P. K. and Das, M. R. and Sengupta, P. and Shelke, M. V.} } @article { ISI:000289692500038, title = {Synthesis and characterization of poly-L-lysine grafted SBA-15 using NCA polymerization and click chemistry}, journal = {Journal of Materials Chemistry}, volume = {21}, number = {18}, year = {2011}, month = {APR}, pages = {6690-6697}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Poly-L-lysine (PLL) grafted ordered mesoporous material was prepared by a combination of NCA polymerization and click chemistry. Large pore SBA-15 with a mesopore diameter of similar to 12 nm was synthesized using a previously reported method. The surface of this SBA-15 material was modified with azidopropyl groups. This {\textquoteleft}{\textquoteleft}clickable{\textquoteright}{\textquoteright} SBA-15 was then reacted with an alkyne terminated poly-L-lysine synthesized by the ring-opening polymerization of 3-cbz-L-lysine NCA with N-TMS propargylamine as the initiator. This procedure allows grafting of a uniform polymer film with a high polymer loading. No appreciable pore blocking was observed upon grafting of PLL. No change in the periodic structure of the SBA-15 was observed throughout the grafting process. The SBA-15 PLL conjugate was characterized using (13)C and (29)Si NMR, XRD, FT-IR, N(2) adsorption-desorption and thermogravimetry. The results indicate that polypeptides can be easily grafted onto various ordered mesoporous materials by this {\textquoteleft}{\textquoteleft}grafting to{\textquoteright}{\textquoteright} methodology with accessible pores and high loadings of the polypeptide.

}, issn = {0959-9428}, doi = {10.1039/c0jm04589f}, author = {Kar, Mrityunjoy and Malvi, Bharmana and Das, Anindita and Panneri, Suyana and Sen Gupta, Sayam} } @article { ISI: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:000289330000005, title = {Synthesis of C1- and C8a-epimers of (+)-castanospermine from D-glucose derived gamma,delta-epoxyazide: intramolecular 5-endo epoxide opening approach}, journal = {Tetrahedron}, volume = {67}, number = {15}, year = {2011}, month = {APR}, pages = {2773-2778}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A concise synthesis of two diastereomers of (+)-castanospermine namely 1- and 8a-epi-castanospermine 1b and 1c, respectively, is reported from D-glucose. The methodology involves stereoselective cross metathesis of D-glucose derived alkene 2 with 4-bromo-1-butene followed by azide displacement and m-CPBA oxidation to afford diastereomeric gamma,delta-epoxyazides 5a/5b. The Staudinger reaction of epoxyazide 5a followed by reaction with benzylchloroformate (CbzCl) unexpectedly furnished 1,3-oxazinan-2-one derivative 7 whose stereochemistry was establish by single crystal X-ray. This helps to assign the stereochemistry in the epoxidation reaction. The reduction of 5a/5b was then carried out by transfer hydrogenation to provide gamma,delta-epoxyamine that concomitantly undergoes intramolecular 5-endo-tet cyclization to afford hydroxypyrrolidine ring skeleton with sugar framework-a precursor to castanospermine analogues 1b/1c. (C) 2011 Elsevier Ltd. All rights reserved.

}, keywords = {alkaloids, Cross metathesis, D-Glucose, Epoxide, Oxazinanone, Polyhydroxy indolizidines}, issn = {0040-4020}, doi = {10.1016/j.tet.2011.02.030}, author = {Kalamkar, Navnath B. and Puranik, Vedavati G. and Dhavale, Dilip D.} } @article { ISI:000291293600027, title = {Synthesis of cube-shaped gold nanostructures by electron irradiation}, journal = {Materials Letters}, volume = {65}, number = {11}, year = {2011}, month = {JUN}, pages = {1605-1607}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The needle-like gold nanostructures were synthesized by using chloroauric acid (HAuCl(4)) as a metal precursor and sodium borohydride (NaBH(4)) as the reducing agent. These needle-like nanostructures of gold were irradiated with high energy electrons (E-6 MeV, phi similar to 10(12) e cm(-2) s(-1)). The pre- and post-irradiated gold nanostructures were characterized by Scanning Electron Microscopy (SEM), UV-vis spectroscopy, X-ray Diffraction (XRD) and contact angle measurement (GBX-Model Digidrop) techniques. The results of the SEM revealed that after electron irradiation, the needle-like gold structures got fragmented into identical cube-shaped gold nanostructures, though of different sizes. The XRD analysis indicated that the average crystallite size of the gold nanostructures remained unchanged even after irradiation with high energy electrons. A glass surface showed hydrophilic behavior when coated with needle-like nanostructures and became ultra hydrophilic when coated with cube-shaped gold nanostructures. (C) 2011 Elsevier B.V. All rights reserved.

}, keywords = {Gold nanostructures, High energy electron irradiation, Nanostructured materials, Radiation damage, Surfaces, Ultra hydrophilic surfaces}, issn = {0167-577X}, doi = {10.1016/j.matlet.2011.02.053}, author = {Dhumale, Vinayak A. and Gangwar, Rajesh K. and Shah, Preeti V. and Bhoraskar, Vasant N. and Mulla, Imtiaz S. and Sharma, Rishi B.} } @article { ISI:000286860900003, title = {Synthesis of silver nanoparticles in an aqueous suspension of graphene oxide sheets and its antimicrobial activity}, journal = {Colloids and Surfaces B-Biointerfaces}, volume = {83}, number = {1}, year = {2011}, month = {MAR}, pages = {16-22}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A solution-based approach to the synthesis of silver (Ag) nanoparticles by chemical reduction of AgNO3 in a graphene oxide (GrO) suspension is demonstrated. X-ray diffraction and transmission electron microscopy indicate that the Ag nanoparticles, of size range 5-25 nm, were decorated on the GrO sheets. The size and shape of the Ag nanoparticles are dependent on the concentration of the AgNO3 solution. Antimicrobial activity of such hybrids materials is investigated against the Gram negative bacteria Escherichia coli and Pseudomonous aeruginosa. The bacterial growth kinetics was monitored in nutrient broth supplemented with the Ag nanoparticle-GrO suspension at different conditions. It was observed that P. aeruginosa is comparatively more sensitive to the Ag nanoparticle-GrO suspension. (C) 2010 Elsevier B.V. All rights reserved.

}, keywords = {Antimicrobial activity, Escherichia coli, graphene oxide, Pseudomonous aeruginosa, Silver nanoparticle}, issn = {0927-7765}, doi = {10.1016/j.colsurfb.2010.10.033}, author = {Das, Manash R. and Sarma, Rupak K. and Saikia, Ratul and Kale, Vinayak S. and Shelke, Manjusha V. and Sengupta, Pinaki} } @article { ISI:000286789100007, title = {Target cum flexibility: an alkyne [2+2+2]-cyclotrimerization strategy for synthesis of trinem library}, journal = {Tetrahedron Letters}, volume = {52}, number = {1}, year = {2011}, month = {JAN}, pages = {38-41}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A rapid access to the central 4,5,6-tricyclic core of 4,5,6-trinems has been achieved by employing the alkyne [2+2+2]-cyclotrimerization as the key and final reaction in the synthesis. (C) 2010 Elsevier Ltd. All rights reserved.

}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2010.10.123}, author = {Ramana, C. V. and Dushing, Mangesh P. and Mohapatra, Sradhanjali and Mallik, Rosy and Gonnade, Rajesh G.} } @article { ISI:000294145600011, title = {Target cum flexibility: synthesis of C(3 {\textquoteleft})-spiroannulated nucleosides}, journal = {Tetrahedron Letters}, volume = {52}, number = {36}, year = {2011}, month = {SEP}, pages = {4627-4630}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

We report a simple strategy for the synthesis of a collection of C(3{\textquoteright})-spirodihydroisobenzo-furannulated nucleosides featuring a [2+2+2]-cyclotrimerization as the key reaction. The cyclotrimerization reactions are facile with the unprotected nucleosides having a diyne unit. When both alkynes of the diyne are terminal, the regioselectivity is poor. However, when one of the terminal alkynes is additionally substituted, the cyclotrimerizations are highly diastereoselective. Since the key bicycloannulation is the final step, this strategy provides flexibility in terms of the alkynes and is thus amenable for the synthesis of a focussed small molecule library. (C) 2011 Published by Elsevier Ltd.

}, keywords = {Dihydroisobenzofuran, Modified nucleosides, Tanaka catalyst, Willkinson catalyst, [2+2+2]-Cyclotrimerization}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2011.06.100}, author = {Dushing, Mangesh P. and Ramana, C. V.} } @article { ISI:000293491600016, title = {Thermally decomposed Ni-Fe-hydrotalcite: a highly active catalyst for the solvent-free N-acylation of different amines by acid chlorides}, journal = {Catalysis Communications}, volume = {12}, number = {14}, year = {2011}, month = {AUG}, pages = {1351-1356}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A composite Ni-Fe catalyst obtained from the thermal decomposition of Ni-Fe-hydrotalcite at 600 degrees C shows very high activity in the solvent-free N-acylation of amines by different acid chlorides with high product yields under very mild reaction conditions (viz, room temperature, short reaction period and small amount of catalyst). The catalyst also shows excellent reusability in the reaction. The crystalline phases present in the catalyst are mixed oxides and hydroxides of nickel and iron. The high catalytic activity of the decomposed Ni-Fe-hydrotalcite is attributed to the formation of uniformly distributed Ni-Fe metal oxides and hydroxides. (C) 2011 Elsevier B.V. All rights reserved.

}, keywords = {Acid chlorides, amines, Decomposition of Ni-Fe-hydrotalcite, N-acylation of amines, Ni-Fe-hydrotalcite derived catalyst}, issn = {1566-7367}, doi = {10.1016/j.catcom.2011.05.015}, author = {Choudhary, Vasant R. and Dumbre, Deepa K.} } @conference {42783, title = {Transfer of technology (ToT) document of ethyl silicate-32}, booktitle = {Transfer of Technology (ToT)/ Technical Documents}, year = {2011}, month = {JAN}, address = {DRDL Hyderabad.}, author = {Ponrathnam, Surendra and Chelanattukizhakkemadath, Raman Rajan and Dwivedi, Mayank and Chavan, Nayaku and Qureshi, Moham and Bhongale, Sunil Sitaram and Rao, Locanindi Hari Sarvothama and Dhanasekharan, Janakiraman and Mohan, S. Krishna and Deokar, Sarika Babasaheb and Momin, Mohasin Shamshuddin} } @conference {42789, title = {Transfer of technology (ToT) document of phenol-aniline-formaldehyde (sf-342a) resins}, booktitle = {Transfer of technology (ToT) document}, year = {2011}, month = {JAN}, address = {DRDL Hyderabad.}, author = {Ponrathnam, Surendra and Chelanattukizhakkemadath, Raman Rajan and Dwivedi, Mayank and Chavan, Nayaku and Qureshi, Moham and Bhongale, Sunil Sitaram and Rao, Locanindi Hari Sarvothama and Dhanasekharan, Janakiraman and Mohan, S. Krishna and Deokar, Sarika Babasaheb and Momin, Mohasin Shamshuddin} } @article {42522, title = {Urea/thiourea derivatives and Zn(II)-DPA complex as receptors for anionic recognition-a brief account}, journal = {Journal of Chemical Sciences}, volume = {123}, year = {2011}, month = {OCT}, pages = {175{\textendash}186}, abstract = {

This review covers few examples of anion complexation chemistry, with a special focus on urea/thiourea-based receptors and Zn(II)-dipicolyl amine-based receptors. This article specially focuses on structural aspects of the receptors and the anions for obtaining the desire specificity along with an efficient receptor{\textendash}anion interaction. Two types of receptors have been described in this brief account; first one being the strong hydrogen bond donor urea/thiourea derivatives, which binds the anionic analytes through hydrogen bonded interactions; while, the second type of receptors are coordination complexes, where the coordination of the anion to the metal centre. In both the cases the anion binding modulate the energy gap between the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) and thereby the spectroscopic response. Appropriate choice of the signalling unit may allow probing the anion binding phenomena through visual detection.

}, doi = {10.1007/s12039-011-0151-y}, author = {Das, Priyadip and Mahato, Prasenjit and Ghosh, Amrita and Mandal, Amal Kumar and Banerjee, Tanmay and Saha, Sukdeb and Das, Amitava} } @article {42534, title = {Zn(II) and Cd(II)-based complexes for probing the enzymatic hydrolysis of Na4P2O7 by alkaline phosphatase in physiological conditions}, journal = {Chemical Communications}, volume = {47}, year = {2011}, month = {SEP}, pages = {8118-8120}, abstract = {

Newly synthesized Zn(II) and Cd(II)-based complexes show unique selectivity towards inorganic pyrophosphate (PPi) in 100\% aqueous medium at pH = 7.4 and act as a "turn-on" and "turn-off" real-time assay, respectively, for the evaluation of the enzymatic activity of alkaline phosphatase.

}, doi = {10.1039/C1CC12682B}, author = {Das, Priyadip and Sourish, Bhattacharya and Sandhya, Mishra and Das, Amitava} } @article {42528, title = {ZnII-2,2?:6?,2?-terpyridine-based complex as fluorescent chemosensor for PPi, AMP and ADP}, journal = {Europian Journal of Inorganic Chemistry}, year = {2011}, month = {JUL}, pages = {3050{\textendash}3058}, abstract = {

A new ZnII{\textendash}2,2':6',2"-terpyridine complex, derivatized with a coumarin moiety (L1Zn), acts as a fluorescent chemosensor for different biologically important phosphates like PPi, AMP and ADP in mixed aqueous media. Depending on the proportion of the aqueous fraction present in the solvent mixture, L1Zn shows a preference for different phosphate moieties at physiological pH. In an aqueous acetonitrile (2:3, v/v) medium this reagent shows a preference for AMP as compared to ADP, ATP and PPi. The binding affinities of L1Zn with different phosphate ions and associated shifts in the electronic spectra were rationalized by DFT calculations. Such an example of a receptor that is selective for AMP under physiological conditions is rare in the literature.

}, doi = {10.1002/ejic.201100125}, author = {Das, Priyadip and Ghosh, Amrita and Kesharwani, Manoj K. and Ramu, Vadde and Ganguly, Bishwajit and Das, Amitava} } @article {42525, title = {Zn(II)-cyclam based chromogenic sensors for recognition of atp in aqueous solution under physiological conditions and their application as viable staining agents for microorganism}, journal = {Inorganic Chemistry}, volume = {50}, year = {2011}, month = {MAR}, pages = {4162{\textendash}4170}, abstract = {

Two chromogenic complexes, L.Zn (where L is (E)-4-((4-(1,4,8,11-tetraazacyclotetradecan-1-ylsulfonyl)phenyl)diazenyl)-N,N-dimethylaniline) and its [2]pseudorotaxane form (α-CD.L.Zn), were found to bind preferentially to adenosine triphosphate (ATP), among all other common anions and biologically important phosphate (AMP, ADP, pyrophosphate, and phosphate) ions in aqueous HEPES buffer medium of pH 7.2. Studies with live cell cultures of prokaryotic microbes revealed that binding of these two reagents to intercellular ATP, produced in situ, could be used in delineating the Gram-positive and the Gram-negative bacteria. More importantly, these dyes were found to be nontoxic to living microbes (eukaryotes and prokaryotes) and could be used for studying the cell growth dynamics. Binding to these two viable staining agents to intercellular ATP was also confirmed by spectroscopic studies on cell growth in the presence of different respiratory inhibitors that influence the intercellular ATP generation.

}, doi = {10.1021/ic200223g}, author = {Mahato, Prasenjit and Ghosh, Amrita and Mishra, Sanjiv K. and Shrivastav, Anupama and Mishra, Sandhya and Das, Amitava} } @article { ISI: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:000307972400024, title = {Adsorption of methylene blue using green pea peels (Pisum sativum): a cost-effective option for dye-based wastewater treatment}, journal = {Biotechnology and Bioprocess Engineering}, volume = {17}, number = {4}, year = {2012}, month = {AUG}, pages = {862-874}, publisher = {KOREAN SOC BIOTECHNOLOGY \& BIOENGINEERING}, address = {KOREAN SCIENCE TECHNOLOGY CENTER, \#704 YEOGSAM-DONG, KANGNAM-KU, SEOUL 135-703, SOUTH KOREA}, abstract = {

Methylene blue (MB), a common toxic dye, is largely discharged from dyeing processes for acrylic, nylon, silk, and woolen fabrics in textile industries. While application of conventional removal processes like chemical precipitation, ion exchange, commercial activated carbon adsorption, etc often become cost-prohibitive, the adsorption of MB by abundantly available green pea peel (GPP: Pisum sativum) derived and acid-treated carbon (GPP-AC) has proved to be a cost-attractive option in the present study. The physicochemical and morphological characteristics of GPP-AC were examined with the help of XRD, BET surface area, SEM, and Fourier transform infrared spectrophotometry ((FT-IR) analysis. The influences of such adsorption parameters as initial dye concentration, pH, contact time, adsorbent dosage, agitation speed, particle size, and temperature were evaluated and optimized. The equilibrium contact time for maximum adsorption of MB on to GPPAC was found to be 7 h. The equilibrium data of the adsorption process were modeled by using the Langmuir, Freundlich, Temkin, and Dubinin-Raduskevich (D-R) isotherms. However, the adsorption equilibrium data were best described by the Langmuir Isotherm model, with a maximum adsorption capacity of 163.94 mg MB/g GPPAC at 30A degrees C.

}, keywords = {Adsorption, Dubinin-raduskevich, Freundlich, green peas peels, Isotherms, Langmuir, Methylene blue, Temkin}, issn = {1226-8372}, doi = {10.1007/s12257-011-0614-5}, author = {Dod, Ramesh and Banerjee, Goutam and Saini, S.} } @article { ISI: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 {42507, title = {Alternative approach: a highly selective dual responding fluoride sensor having active methylene group as binding site}, journal = {Org Biomol Chem.}, volume = {10}, year = {2012}, month = {JAN}, pages = {2263-2271}, abstract = {

A newly designed phosphonium derivative (L) having active methylene functionality, shows unusual preference towards F- over all other anions. The binding process through C{\textendash}H...F- hydrogen bond formation was probed by monitoring the changes in either electronic or luminescence spectra. Changes in both cases are significant enough to allow visual detection. The loss of molecular flexibility of L on forming L{\textperiodcentered}F- effectively interrupts the non-radiative deactivation pathway and accounts for the observed switch on fluorescence response. The results of the time-resolved emission studies for L and L{\textperiodcentered}F- using a time-correlated single photon counting technique further corroborate this presumption. The excellent preference of L towards F- is attributed to an efficient hydrogen bonding interaction between the strongly polarized methylene protons and F-, which delineates the subtle difference in the affinity among other competing anionic analytes like CN-, H2PO4-, CH3CO2-, etc. The relative affinities of various anions and the preferential binding of F- to reagent L are also rationalized using computational studies.

}, doi = {10.1039/C2OB06815J}, author = {Das, Priyadip and Kesharwani, Manoj K. and Mandal, Amal K. and Suresh, Eringathodi and Ganguly, Bishwajit and Das, Amitava} } @article {42779, title = {Amino functionalized oligo polyimides with enhanced storage stability}, number = {EP 11817412 A 20111228}, year = {2012}, month = {JUL}, abstract = {

The invention relates to an improved process for the preparation of amino functionalized oligomeric monomeric reactant type polyimides having higher stability. More particularly it relates to a process for the preparation of soluble imide prepolymers, used as matrix resins that can be rapidly cured with multi-functional moieties such as diepoxy, dicarboxyl, anhydride, diisocyanates to form crosslinked structures having enhanced thermal stability and mechanical strength.

}, author = {Dwivedi, Mayank and Rao, Locanindi Hari Sarvothama and Mohan, Srinivasulu Reddy Krishna and Dhanasekharan, Janakiraman and Rao, Bevara Madhusudana and Kumar, Sriperambudur Rajesh and Ponrathnam, Surendra and Rajan, Chelanattukizhakkemadath Raman and Tayal, Rajiv Kumar and Shadbar, Qureshi Mohammed and Chavan, Nayaku and Deokar, Sarika Babasaheb and Mulani, Khudbudin Baban and Ghorpade, Ravindra V. and Bhongale, Sunil Sitaram and Nalawade, Archana Chetan and Sontakke, Kalpana Vishwanathrao and Bhosle, Sonali Madhavrao and Mule, Smita Atmaram and Dhoble, Deepa Arun and John, Aruldoss and Shaikh, Wasif Abdul Lateef and Harikrishna, Reghunathan and Punitharasu, Vellimala and Momin, Mohasin Shamshuddin} } @article { ISI:000307950000006, title = {Andrographolide inhibits osteopontin expression and breast tumor growth through down regulation of PI3 Kinase/Akt signaling pathway}, journal = {Current Molecular Medicine}, volume = {12}, number = {8}, year = {2012}, month = {SEP}, pages = {952-966}, publisher = {BENTHAM SCIENCE PUBL LTD}, address = {EXECUTIVE STE Y-2, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB EMIRATES}, abstract = {

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

}, keywords = {Andrographolide, angiogenesis and breast tumor, migration, osteopontin, PI 3 kinase}, issn = {1566-5240}, author = {Kumar, S. and Patil, H. S. and Sharma, P. and Kumar, D. and Dasari, Sreekanth and Puranik, Vedavati G. and Thulasiram, H. V. and Kundu, G. C.} } @article { ISI:000301235200031, title = {Band edge modulated conjugated polymers for oxidation prevention}, journal = {Physical Chemistry Chemical Physics}, volume = {14}, number = {13}, year = {2012}, month = {FEB}, pages = {4577-4583}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The impact of electron transfer (ET) from a series of band edge modulated polymers to atmospheric oxygen is examined in connection with substrate oxidation prevention. Polymers with the highest occupied molecular orbital (HOMO) energy level below and above the oxygen energy level were tested and the former showed better efficiency. Furthermore, the oxidation prevention efficiency of a polymer with lower HOMO increased by two orders of magnitude, when the pores on the film were filled with spherical molecules, [6,6]-phenyl-C61-butyric acid methyl ester. We found that the polymer surface hydrophobicity has little or no influence on oxidation prevention. It is interesting to note that a polymer with a hole mobility of 8 x 10(-10) cm(2) V-1 s(-1) showed a two-fold increase in oxidation prevention efficiency compared to a polymer with a hole mobility of 6 x 10(-5) cm(2) V-1 s(-1). Over all, from the concerted approach, we conclude that a polymer devoid of pores with the HOMO energy level below oxygen and low charge carrier mobility is a suitable candidate for prevention of substrate oxidation/corrosion.

}, issn = {1463-9076}, doi = {10.1039/c2cp23544g}, author = {Mahale, Rajashree Y. and Arulkashmir, Arulraj and Dutta, Kingshuk and Krishnamoorthy, Kothandam} } @article { ISI:000307134700044, title = {Bistable dynamic coordination polymer showing reversible structural and functional transformations}, journal = {Inorganic Chemistry}, volume = {51}, number = {15}, year = {2012}, month = {AUG}, pages = {8317-8321}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A bistable dynamic coordination polymer [Ni(pca)(bdc)(0.5)(H2O)(2)] having a two-dimensional (2D) zigzag sheet structure is synthesized solvothermally. Topological analysis revealed that the frameworks have an hcb type of uninodal net. The compound exhibits guest specific reversible structural transformations accompanying reversible changes in physical properties driven by inherent flexibility and transformability.

}, issn = {0020-1669}, doi = {10.1021/ic301481p}, author = {Nagarkar, Sanjog S. and Das, Raja and Poddar, Pankaj and Ghosh, Sujit K.} } @article { ISI:000309370500015, title = {Carbon dioxide reforming of methane over ruthenium substituted strontium titanate perovskite catalysts}, journal = {Indian Journal of Chemistry Section A-Inorganic Bio-Inorganic Physical Theoretical \& Analytical Chemistry}, volume = {51}, number = {9-10, SI}, year = {2012}, month = {SEP}, pages = {1339-1347}, publisher = {NATL INST SCIENCE COMMUNICATION-NISCAIR}, address = {DR K S KRISHNAN MARG, PUSA CAMPUS, NEW DELHI 110 012, INDIA}, abstract = {

Strontium titanate (SrTiO3) doped with varying amounts of ruthenium (7.9, 15.6 and 31 wt\%) have been prepared by the citrate gel synthesis method. Structural and textural characterizations reveal that at lower concentrations, a major part of Ru is incorporated in the lattice of SiTiO3. The content of surface Ru (outside lattice) increases with increasing amounts of the doped Ru. The surface Ru reduced at lower temperatures compared to Ru incorporated into the lattice. The reduction of the lattice substituted Ru occurs only at temperatures above the collapse of the perovskite structure. The catalyst sample with 7.9 wt\% of Ru shows good conversions in the dry reforming of methane with CO2. The conversion of CO2 is in excess compared to methane under the studied reaction conditions. As a result, H-2/CO ratio of the product gases which should have been equivalent to unity is lower than the stoichiometric value. This ratio is particularly low when lower reaction temperatures (873-973 K) were used. Similar was the case when high space velocities were used. Low methane conversion and reverse water gas shift reaction are the causes for the low H-2/CO ratios.

}, keywords = {Carbon dioxide reforming, Catalysts, Citrate gel method, Doped catalysts, Dry reforming, Methane reforming, Perovskites, Reverse water gas shift, Ruthenium doped catalysts, Strontium titanate, Syngas}, issn = {0376-4710}, author = {Gurav, Hanmant R. and Bobade, Richa and Das, Vineetha Lakshmi and Chilukuri, Satyanarayana V.} } @article { ISI: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 { 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:000300887700023, title = {Competition between gelation and crystallisation of a peculiar multicomponent liquid system based on ammonium salts}, journal = {Soft Matter}, volume = {8}, number = {12}, year = {2012}, month = {FEB}, pages = {3446-3456}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

An exemplar competition between gelation and crystallisation phenomena was examined with an unusual synergistic multicomponent (organo) gelator solution (MGS), which consists of a well-defined methanolic solution of (1R, 2R)-1,2-diaminocyclohexane L-tartrate containing 2.4 equiv. of concentrated hydrochloric acid. The optimal composition of the MGS was determined through meticulous solubility, gelation and structural studies, which support a transient gelation mechanism based on the kinetic self-assembly of the tartrate salt driven by hydrogen-bonding interactions, involving ammonium nitrogen donors and hydroxyl oxygen acceptors, and electrostatic interactions. The hydrochloric acid is involved in the solubilisation of the salt through an ionic dissociation-exchange process, which ends up with the formation-precipitation of (1R, 2R)-1,2-diaminocyclohexane dihydrochloride. As a consequence, an irreversible destruction of the gel takes place, which indicates the metastable nature of this phase that cannot be accessed from the thermodynamically equilibrated state. Gelation of a variety of oxygenated and nitrogenated solvents with moderate polarity occurred efficiently using extremely low MGS concentrations at low temperatures, and the gel phase was confirmed by dynamic rheological measurements. Several features make the described MGS unique: (1) it is a multicomponent solution where each component and its stoichiometry play a key role in the reproducible formation and stabilization of the gels; (2) it is formed by simple, small, and commercially available chiral building blocks (dissolved in a well-defined solvent system), which are easily amenable for further modifications; (3) the gelation phenomenon takes place efficiently at low temperature upon warming up the isotropic solution, conversely to the typical gel preparation protocol; and (4) the formed organogels are not thermoreversible despite the non-covalent interactions that characterize the 3D-network.

}, issn = {1744-683X}, doi = {10.1039/c2sm07183e}, author = {Kapoor, Iti and Schoen, Eva-Maria and Bachl, Jurgen and Kuehbeck, Dennis and Cativiela, Carlos and Saha, Subhadeep and Banerjee, Rahul and Roelens, Stefano and Juan Marrero-Tellado, Jose and Diaz, David Diaz} } @article { ISI:000304851500004, title = {Concise synthesis of (+)-deoxoprosophylline via Co(III)(salen)-catalyzed two stereocentered HKR of racemic azido epoxides}, journal = {Tetrahedron Letters}, volume = {53}, number = {26}, year = {2012}, month = {JUN}, pages = {3213-3215}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

An efficient synthesis of (+)-deoxoprosophylline has been achieved in high optical purity (99\% ee) from readily available cis-2-butene-1,4-diol. The strategy employs Co-catalyzed Hydrolytic Kinetic Resolution (HKR) of two stereocentered racemic azido epoxides and diastereoselective intramolecular reductive cyclization as key reactions. (C) 2012 Elsevier Ltd. All rights reserved.

}, keywords = {Azido epoxide, Hydrolytic kinetic resolution, Piperidine, Wittig olefination}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2012.04.067}, author = {Devalankar, Dattatray A. and Sudalai, Arumugam} } @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:000310215400007, title = {Conformational modulation of Ant-Pro oligomers using chirality alteration of proline residues}, journal = {Organic \& Biomolecular Chemistry}, volume = {10}, number = {42}, year = {2012}, month = {SEP}, pages = {8426-8433}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Structural modulation of Ant-Pro (anthranilic acid-proline) oligomers has been carried out by chirality alteration of the proline residues. The results suggest that the chirality altered oligomers show well-defined helical conformation featuring nine-membered hydrogen bonding interactions - without compromising conformational rigidity.

}, issn = {1477-0520}, doi = {10.1039/c2ob26132d}, author = {Kale, Sangram S. and Kotmale, Amol S. and Dutta, Achintya Kumar and Pal, Sourav and Rajamohanan, P. R. and Sanjayan, Gangadhar J.} } @article { ISI:000303951600008, title = {Controlled synthesis of O-glycopolypeptide polymers and their molecular recognition by lectins}, journal = {Biomacromolecules}, volume = {13}, number = {5}, year = {2012}, month = {MAY}, pages = {1287-1295}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The facile synthesis of high molecular weight water-soluble O-glycopolypeptide polymers by the ring-opening polymerization of their corresponding N-carboxyanhydride (NCA) in very high yield (overall yield \> 70\%) is reported. The per-acetylated-O-glycosylated lysine-NCA monomers, synthesized using stable glycosyl donors and a commercially available protected amino acid in very high yield, was polymerized using commercially available amine initiators. The synthesized water-soluble glycopolypeptides were found to be alpha-helical in aqueous solution. However, we were able to control the secondary conformation of the glycopolypeptides (alpha-helix vs nonhelical structures) by polymerizing raceznic amino acid glyco NCAs. We have also investigated the binding of the glycopolypeptide poly(alpha-manno-O-lys) with the lectin Con-A using precipitation and hemagglutination assays as well as by isothermal titration calorimetry (ITC). The ITC results clearly show that the binding process is enthalpy driven for both alpha-helical and nonhelical structures, with negative entropic contribution. Binding stoichiometry for the glycopolypeptide poly(alpha-manno-O-lys) having a nonhelical structure was slightly higher as compared to the corresponding polypeptide which adopted an alpha-helical structure.

}, issn = {1525-7797}, doi = {10.1021/bm201813s}, author = {Pati, Debasis and Shaikh, Ashif Y. and Das, Soumen and Nareddy, Pavan Kumar and Swamy, Musti J. and Hotha, Srinivas and Sen Gupta, Sayam} } @article { ISI:000321004400040, title = {Crystal structure of (2S, 4R)-2-benzyl 1-tert-butyl 4-(tosyloxy)pyrrolidine-1,2-dicarboxylate, C24H29NO7S}, journal = {Zeitschrift Fur Kristallographie-New Crystal Structures}, volume = {227}, number = {3}, year = {2012}, month = {SEP}, pages = {361-362}, publisher = {OLDENBOURG VERLAG}, address = {LEKTORAT MINT, POSTFACH 80 13 60, D-81613 MUNICH, GERMANY}, abstract = {

{C24H29NO7S, triclinic, P1 (no. 1)

}, issn = {1433-7266}, doi = {10.1524/ncrs.2012.0173}, author = {Ghosh, Munmun and Mallick, Arijit and Diaz, David Diaz} } @article { ISI:000301921300006, title = {Crystallization and X-ray structure analysis of a thermostable penicillin G acylase from alcaligenes faecalis}, journal = {Acta Crystallographica Section F-Structural Biology and Crystallization Communications}, volume = {68}, number = {3}, year = {2012}, month = {MAR}, pages = {273-277}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {

{The enzyme penicillin G acylase (EC 3.5.1.11) catalyzes amide-bond cleavage in benzylpenicillin (penicillin G) to yield 6-aminopenicillanic acid, an intermediate chemical used in the production of semisynthetic penicillins. A thermostable penicillin G acylase from Alcaligenes faecalis (AfPGA) has been crystallized using the hanging-drop vapour-diffusion method in two different space groups: C2221, with unit-cell parameters a = 72.9

}, keywords = {calcium binding, disulfide bridges, Ntn hydrolases, orthorhombic form, tetragonal form, Thermostability}, issn = {1744-3091}, doi = {10.1107/S1744309111053930}, author = {Varshney, Nishant Kumar and Kumar, R. Suresh and Ignatova, Zoya and Prabhune, Asmita and Pundle, Archana and Dodson, Eleanor J. and Suresh, C. G.} } @article { ISI:000308285100046, title = {Deposition-precipitation versus anionic-exchange Au/Al2O3 catalysts: a comparative investigation towards the selective reduction of NOx}, journal = {Catalysis Communications}, volume = {26}, year = {2012}, month = {SEP}, pages = {225-230}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Catalytic properties of supported gold catalysts on gamma-Al2O3 prepared by a conventional deposition-precipitation method were compared with those obtained by anionic-exchange for the reduction of NOx by hydrocarbon under lean conditions that simulate Diesel engine exhaust gas. Interestingly, a catalytic activity enhancement is observed after thermal ageing under reactive conditions at 500 degrees C on anionic-exchanged samples which make them suitable for practical developments. On the other hand, the reverse trend is observed on the solids prepared by deposition-precipitation which deactivate at low temperature. Such changes in catalytic properties have been tentatively explained on the basis of textural and structural modifications taking place during thermal ageing under wet atmosphere. (C) 2012 Elsevier B.V. All rights reserved.

}, keywords = {Anionic-exchange, Au catalyst, Deposition-precipitation, NOx abatement, Selective catalytic reduction}, issn = {1566-7367}, doi = {10.1016/j.catcom.2012.06.004}, author = {Nguyen, D. L. and Shubhangi B. Umbarkar and Dongare, Mohan K. and Lancelot, Christine and Girardon, J. S. and Dujardin, Christophe and Granger, P.} } @article { ISI: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:000312147400004, title = {Dye sensitized solar cell (DSSC) by a novel fully room temperature process: a solar paint for smart windows and flexible substrates}, journal = {RSC Advances}, volume = {2}, number = {31}, year = {2012}, month = {MAR}, pages = {11645-11649}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

We report the development of a titania-nanoparticle-based solar paint which gives a conversion efficiency of 3.6\% on FTO/glass substrates under fully room temperature processing. The paint cures quickly saving time in the cell fabrication process. Even on a flexible ITO/PET substrate efficiency of 2.4\% was achieved. We present and analyze the results of described materials and device property characterizations.

}, issn = {2046-2069}, doi = {10.1039/c2ra22182a}, author = {Agarkar, Shruti A. and Dhas, Vivek V. and Muduli, Subas and Ogale, Satishchandra B.} } @article { ISI:000311180800010, title = {Effect of particle size on selective hydrogenation of cinnamaldehyde by Pt encapsulated in mesoporous silica}, journal = {Catalysis Communications}, volume = {28}, year = {2012}, month = {NOV}, pages = {42-46}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Pt nanoparticles of various sizes, viz. 8. 4.9, 3.6 and 1.8 nm were encapsulated in 2D hexagonal mesoporous silica by in-situ synthesis as well as post synthetic modifications so that the final catalyst composition was \<= 1 wt.\% Pt/SiO2. A kinetic analysis of the effect of particle size on selective hydrogenation of cinnamaldehyde was carried out on these catalysts. It was found that the materials, even at such low loading of Pt, were very active for the hydrogenation and selective for the desired product, cinnamyl alcohol. Among the different particle sizes, selectivity was found to be the highest on 8 nm particles. Kinetic analysis shows that the reaction follows a consecutive reaction pathway. (C) 2012 Elsevier B.V. All rights reserved.

}, keywords = {alpha, beta-Unsaturated aldehydes, Cinnamaldehyde hydrogenation, Kinetic analysis, Mesoporous silica, Pt nanoparticles, Selective hydrogenation}, issn = {1566-7367}, doi = {10.1016/j.catcom.2012.08.017}, author = {Prashar, Atul K. and Mayadevi, S. and Devi, R. Nandini} } @article { ISI:000300635600002, title = {Effects of arsenite stress on growth and proteome of Klebsiella pneumoniae}, journal = {Journal of Biotechnology}, volume = {158}, number = {1-2}, year = {2012}, month = {MAR}, pages = {8-16}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

In the present study an arsenite, As(III), tolerating bacterium, MR4, was isolated from Mulla River Pune, India, capable of reducing arsenate to arsenite and identified as Klebsiella pneumoniae (HQ857583). Comparative proteomic analysis using two-dimensional gel electrophoresis (2-DGE) and matrix assisted laser desorption ionization-time of flight-time of flight (MALDI-TOF/ TOF) was used to monitor the proteins undergoing changes in expression levels under 2.5 mM As(III) stress. The 2-DGE proteome map has shown that 60 proteins were differentially expressed under As(III) stress, of which 39 proteins were successfully identified with a MASCOT score greater than 70 (p \< 0.05). Among the identified proteins, membrane transport/ binding proteins, porins, and amino acid metabolism enzymes were down-regulated while stress responsive proteins and antioxidant enzymes were up-regulated. Proteins involved in carbohydrate metabolism, particularly those in pentose phosphate pathway were also up-regulated while those involved in pyruvate metabolism were down-regulated. However, proteins involved in glycolysis and tricarboxylic acid cycle showed a mixed regulation response. These findings provide new insights into the probable mechanisms by which K. pneumoniae (HQ857583) could be adapting to As(III) stress. (C) 2012 Elsevier B.V. All rights reserved.

}, keywords = {(2-DGE), Arsenite stress, Klebsiella pneumoniae, MALDI-TOF-TOF, Two dimensional gel electrophoresis}, issn = {0168-1656}, doi = {10.1016/j.jbiotec.2011.12.013}, author = {Daware, Vandana and Kesavan, Suresh K. and Patil, Rajendra and Natu, Arvind and Kumar, Ameeta and Kulkarni, Mahesh J. and Gade, Wasudeo N.} } @article { ISI:000303485400020, title = {Effects of grain morphology, microstructure and dispersed metal cocatalyst on the photoreduction of water over impurity-doped LaInO3}, journal = {Materials Research Bulletin}, volume = {47}, number = {5}, year = {2012}, month = {MAY}, pages = {1217-1228}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The single phase lanthanum indates doped with Ga (for La) and N (for O), i.e. La1-xGaxInO3 (0 \<= x \<= 0.2) and LaInO1-yNy (y similar to 0.6), exhibit significant activity for photoreduction of water; the yield of H-2 produced depending on dopant, excitation source, and addition of a sacrificial reagent. The two-step H-2 evolution observed for this reaction corresponds with the two distinct absorbance regimes displayed by these materials, one in UV-region due to bandgap excitation and the other in visible region arising from the transitions involving sub-bandgap donor or acceptor energy states. The photocatalytic activity of these d(10) metal oxides increases on coating with a metal/metal oxide co-catalyst, gold exhibiting superior activity to Pt and NiO, irrespective of excitation source and sample composition. The preparation-controlled particle morphology, doping-induced lattice imperfections, and metal/semiconductor hetero-junctions are envisaged to play a key role in the absorption characteristics and photocatalytic water reduction activity of metal/LaInO3 nanocomposites. (C) 2012 Elsevier Ltd. All rights reserved.

}, keywords = {Catalytic properties, Chemical synthesis, Electron microscopy, Interfaces, Semiconductors}, issn = {0025-5408}, doi = {10.1016/j.materresbull.2012.01.031}, author = {Dhanasekaran, P. and Gupta, N. M.} } @article { ISI:000308042000010, title = {Efficient synthesis of a hydroxyethylamine (HEA) isostere and its alpha-aminophosphonate and phosphoramidate derivatives as potential anti-HIV agents}, journal = {Chemmedchem}, volume = {7}, number = {9}, year = {2012}, month = {SEP}, pages = {1601-1611}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

HIV protease is a promising drug target for AIDS therapy, and several potent HIV-1 protease inhibitors have been reported to date. Although existing inhibitors exhibit high selectivity, they have also been associated with severe side effects and the possible emergence of therapeutic resistance. As HIV protease cleaves the peptide bond via a tetrahedral intermediate, various transition-state models such as hydroxyethylamine (HEA) have been designed. We therefore pursued an efficient synthesis of an HEA isostere; this was performed with a novel one-pot reductiontransiminationreduction reaction sequence as a key step. a-Aminophosphonate and phosphoramidate derivatives of the HEA isostere were designed and synthesized, and all of the synthesized derivatives were assayed for their anti-HIV activities against wild-type and mutant HIV strains. Phosphoramidate derivative 15?a was found to be the most active of all synthesized compounds against the IIIB and RES056 strains. As phosphonates are known to exhibit physiological stability, good cell permeability, and other promising pharmacokinetic characteristics, our newly synthesized compounds have the potential as alternatives to existing therapeutics and diagnostics.

}, keywords = {a-aminophosphonates, antiviral agents, hydroxyethylamine isosteres, phosphoramidates, synthesis}, issn = {1860-7179}, doi = {10.1002/cmdc.201200271}, author = {Bhattacharya, Asish K. and Rana, Kalpeshkumar C. and Pannecouque, Christophe and De Clercq, Eric} } @article { ISI: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:000307306500021, title = {Enantio- and diastereocontrolled conversion of chiral epoxides to trans-cyclopropane carboxylates: application to the synthesis of cascarillic acid, grenadamide and L-(-)-CCG-II}, journal = {Organic \& Biomolecular Chemistry}, volume = {10}, number = {34}, year = {2012}, month = {JUL}, pages = {6987-6994}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

An efficient high yielding improved method for the enantio- and diastereoselective cyclopropanation of chiral epoxides using triethylphosphonoacetate and base (Wadsworth-Emmons cyclopropanation) is reported. The utility of this protocol is illustrated by concise and practical synthesis of cascarillic acid, grenadamide and L-(-)-CCG-II, a cyclopropane containing natural products.

}, issn = {1477-0520}, doi = {10.1039/c2ob25622c}, author = {Kumar, Pradeep and Dubey, Abhishek and Harbindu, Anand} } @article { ISI:000307207300023, title = {Enhanced permeation, leaf retention, and plant protease inhibitor activity with bicontinuous microemulsions}, journal = {Journal of Colloid and Interface Science}, volume = {383}, year = {2012}, month = {OCT}, pages = {177-183}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

Bicontinuous microemulsions (BCMEs) have excellent solubulizing properties along with low interfacial tension and aqueous content that can be controlled. In this work, water soluble plant protease inhibitor (PI), well characterized for its activity against insect pests, was incorporated into a BCME system and explored for permeation on hydrophobic leaf surfaces and protease inhibition activity. The bicontinuous nature of the microemulsion containing water:2-propanol:1-butanol (55:35:10 w/w) was characterized using conductivity and self-diffusion coefficient measurements. The PI was soluble in the water-rich bicontinuous domains, stable in the microemulsions, and protease inhibition activity was retained for a prolonged duration. The microemulsions ensured greater wettability and a wider spread of the PI on hydrophobic leaf surfaces as revealed by contact angle measurements. Significantly, trypsin inhibition activity assays of the PI recovered from the leaves after delivery from the microemulsion indicated a significant increase in the PI retention on the leaf. This BCME enabled greater leaf permeation and retention of the PI can be attributed to a temporary disruption of the waxy leaf surface followed by self-repair without causing any long term damage to the plant. (C) 2012 Elsevier Inc. All rights reserved.

}, keywords = {Bicontinuous microemulsion, Biopesticide, Microemulsion pesticide, protease inhibitor, Protein encapsulation, Protein permeation}, issn = {0021-9797}, doi = {10.1016/j.jcis.2012.06.025}, author = {Tamhane, Vaijayanti A. and Dhaware, Deepika G. and Khandelwal, Neha and Giri, Ashok P. and Panchagnula, Venkateswarlu} } @article { ISI: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: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:000308112300043, title = {Evaluation of the insect growth regulator lufenuron (MatchA (R)) for control of aedes aegypti by simulated field trials}, journal = {Parasitology Research}, volume = {111}, number = {3}, year = {2012}, month = {SEP}, pages = {1325-1329}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

The insect growth regulator, Lufenuron, at concentrations of even multiples of LC90 (determined under laboratory conditions) was tested against the III instar larvae of Aedes aegypti under simulated field conditions. For all concentrations tested, 100 \% mortality of the larvae was observed within 24 h of exposure to Lufenuron-treated water. In experiments with LC90 x 4 Lufenuron concentration and where 15 \% of water volume was replaced daily, percent mortality of the larvae was reduced to 40 \% after the 54th day of treatment. Percentage mortality of the III instar larvae on the 54th day was higher in water with LC90 x 6 concentration than that observed for water with LC90 x 4 of Lufenuron. In the experiments with LC90 x 4 and LC90 x 6 concentrations of Lufenuron where 15 \% of water volume was replaced weekly, larval mortality obtained after the eighth week was 68.75 and 88.33 \%, respectively. In LC90 x 4 and LC90 x 6 of Lufenuron-treated stagnant water (without replacement of water), the percent mortality of the larvae on the 55th day was 65 and 90 \%, respectively. Introducing a fresh batch of III instar A. aegypti larvae in the Lufenuron-treated waters revealed that residual activity of Lufenuron was sustained for 45 days after the treatment. All these experiments revealed that Lufenuron not only affects the prevalence of the A. aegypti larvae but also induces the development of abnormal adults.

}, issn = {0932-0113}, doi = {10.1007/s00436-012-2968-9}, author = {Salokhe, S. G. and Deshpande, S. G. and Mukherjee, Samindra N.} } @article { ISI:000303426500018, title = {Evidence of cationic Pt active for water-gas shift reaction: Pt-doped BaCeO3 perovskite}, journal = {Journal of Physical Chemistry C}, volume = {116}, number = {17}, year = {2012}, month = {MAY}, pages = {9526-9532}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Precious metal incorporated into stable lattices like perovskites can be envisaged as an alternative catalysts to address deactivation problems. Here we report the barium cerate perovskite doped with varying amounts of Pt as catalysts for the water-gas shift reaction whereby ionic Pt is evidenced to be active. It is found that maximum CO conversion occurs above 325 degrees C and increases more than 2-fold after the first cycle. XPS analysis shows that after the first cycle, more ionic Pt species are present on the surface of the catalyst. X-ray and neutron diffraction studies also indicate the presence of oxygen vacancies that increases with increasing Pt substitution.

}, issn = {1932-7447}, doi = {10.1021/jp212211d}, author = {Rajesh, Thattarathody and Rajarajan, Anakot K. and Gopinath, Chinnakonda S. and Devi, R. Nandini} } @article { ISI: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:000301990100016, title = {Factors affecting the production of H-2 by water splitting over a novel visible-light-driven photocatalyst GaFeO3}, journal = {International Journal of Hydrogen Energy}, volume = {37}, number = {6}, year = {2012}, month = {MAR}, pages = {4897-4907}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A d(10) photocatalyst, GaFeO3 having a band gap of similar to 2.7 eV, exhibits significant activity for the overall splitting of water under visible light (\>395 nm) irradiation, in the absence of sacrificial reagent or a noble metal co-catalyst. The doping of an anion led to considerable enhancement in activity, the S-doped catalysts displaying better activity compared to the samples containing nitrogen. Even though the H-2/O-2 yields were affected by preparation-dependent grain morphology, no direct relationship was observed between the photoactivity of a sample and its specific surface area. The techniques of HRTEM, SEM, XPS, Laser Raman, UV-visible and photoluminescence spectroscopy have enabled to demonstrate that, besides the grain morphology, certain lattice imperfections and microstructure may also play a crucial role in water splitting activity of a photocatalyst. The factors responsible for catalyst deactivation are examined. Copyright (C) 2011, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved.

}, keywords = {GaFeO3, hydrogen production, Microstructure, Photocatalyst, water splitting}, issn = {0360-3199}, doi = {10.1016/j.ijhydene.2011.12.068}, author = {Dhanasekaran, P. and Gupta, N. M.} } @article { ISI:000306946500009, title = {FeCl3/Montmorillonite K10 as an efficient catalyst for solvent-free aza-Michael reaction between amine and alpha,beta-unsaturated compounds}, journal = {RSC Advances}, volume = {2}, number = {18}, year = {2012}, month = {JUN}, pages = {7061-7065}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A highly efficient, inexpensive and greener protocol for aza-Michael addition reaction of different aromatic and aliphatic/cyclic amines to alpha,beta-unsaturated compounds using a FeCl3/MontK10 catalyst under solvent-free conditions has been developed. The Michael addition products are obtained in good to excellent yields. The catalyst was insensitive to moisture and it also showed excellent reusability in the reaction. Its high activity is attributed mostly to redox properties of FeCl3.

}, issn = {2046-2069}, doi = {10.1039/c2ra01323a}, author = {Choudhary, Vasant R. and Dumbre, Deepa K. and Patil, S. K.} } @article { ISI:000306215900022, title = {Fine-tuning the balance between crystallization and gelation and enhancement of CO2 uptake on functionalized calcium based MOFs and metallogels}, journal = {Journal of Materials Chemistry}, volume = {22}, number = {30}, year = {2012}, month = {MAY}, pages = {14951-14963}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The synthesis, structure, gas adsorption and catalytic properties of a new 3D porous, crystalline metal-organic framework (Ca-5TIA-MOF) as well as stable viscoelastic metallogels (Ca-5TIA-Gel) are reported. Remarkably, the preparation of both types of materials can be carried out starting from the same organic ligand (i.e. 5-(1,2,4-triazoleyl) isophthalic acid (5TIA)), divalent metal ion (i.e. Ca(II)) and organic solvent (i.e. DMF). In this particular case, the presence of water in the solvent system favors the formation of a crystalline MOF, whereas a pure organic solvent induces gelation. The characterization of the materials was carried out using a series of techniques including XRD, FT-IR, TGA, TEM, SEM, SAXS and dynamic rheology. Experimental PXRD peaks of both Ca-5TIA-xerogel and Ca-5TIA-MOF matched reasonably well with simulated PXRD, suggesting the presence of, at least, some common structural elements in the 3D networks of both xerogel and crystalline phases. Moreover, the nature of the metal counteranion was found to have a critical influence on the gelation phenomenon. To the best of our knowledge, this report describes unprecedented Ca-based LMW-metallogels, as well as the first porous Ca-based MOF, which shows adsorption capacity for CO2 at 1 atm pressure. Interestingly, Ca-5TIA-xerogel presented 20\% higher CO2-uptake than the crystalline Ca-5TIA-MOF at 1 atm and 298 K. Both Ca-5TIA-MOF and Ca-5TIA-Gel also displayed a modest catalytic activity towards the hydrosilylation of benzaldehyde, with slightly better performance for the gel phase material.

}, issn = {0959-9428}, doi = {10.1039/c2jm30866e}, author = {Mallick, Arijit and Schoen, Eva-Maria and Panda, Tamas and Sreenivas, K. and Diaz, David Diaz and Banerjee, Rahul} } @article { ISI:000311350000015, title = {First principle investigation on the thermal stability of a golden fullerene: a case study of Au-32}, journal = {Catalysis Today}, volume = {198}, number = {1, SI}, year = {2012}, month = {DEC}, pages = {106-109}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Structural and electronic properties of Au-32 cluster are analyzed using relativistic density functional theory (DFT) based methods. Further, DFT based molecular dynamical (MD) simulations are performed on Au-32 golden fullerene with an aim of understanding its thermal stability at various working temperatures. Various conformations being populated at different temperatures of a cluster are analyzed. The study shows that the ground state icosahedral conformation is stable only up to 300 K and structure remains in a hollow conformation only up to 400 K. This clearly explains the reasons for failure by experimentalists in trapping the unique fullerene conformation in spite of the theoretical predictions of it being a very stable one. The above MD study also indicates that the bare fullerene Au-32 cluster (without any stabilizing ligands) can be used for potential catalytic applications only around room temperatures. (C) 2012 Elsevier B. V. All rights reserved.

}, keywords = {Au-32 cluster, Born-Oppenheimer molecular dynamics, Density functional theory, Golden fullerenes, Relativistic effects}, issn = {0920-5861}, doi = {10.1016/j.cattod.2012.04.072}, author = {De, Himadri Sekhar and Krishnamurty, Sailaja and Pal, Sourav} } @article { ISI:000298854300037, title = {Gellan gum capped silver nanoparticle dispersions and hydrogels: cytotoxicity and in vitro diffusion studies}, journal = {Nanoscale}, volume = {4}, number = {2}, year = {2012}, month = {OCT}, pages = {563-567}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The preparation of highly stable water dispersions of silver nanoparticles using the naturally available gellan gum as a reducing and capping agent is reported. Further, exploiting the gel formation characteristic of gellan gum silver nanoparticle incorporated gels have also been prepared. The optical properties, morphology, zeta potential and long-term stability of the synthesized silver nanoparticles were investigated. The superior stability of the gellan gum-silver nanoparticle dispersions against pH variation and electrolyte addition is revealed. Finally, we studied the cytotoxicity of AgNP dispersions in mouse embryonic fibroblast cells (NIH3T3) and also evaluated the in vitro diffusion of AgNP dispersions/gels across rat skin.

}, issn = {2040-3364}, doi = {10.1039/c1nr10957j}, author = {Dhar, Sheetal and Murawala, Priyanka and Shiras, A. and Pokharkar, V. and Bhagavatula L. V. Prasad} } @article { ISI:000310934400028, title = {Graphene enriched with pyrrolic coordination of the doped nitrogen as an efficient metal-free electrocatalyst for oxygen reduction}, journal = {Journal of Materials Chemistry}, volume = {22}, number = {44}, year = {2012}, month = {NOV}, pages = {23506-23513}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

We report an efficient template-free synthetic route for the preparation of mesoporous nitrogen-doped graphene (NGE) containing a high weight percentage of pyrrolic nitrogen, good specific surface area and comparable electrochemical oxygen reduction activity as that of the state-of-the-art 40 wt\% Pt/C catalyst. The desired coordination of nitrogen in the carbon framework of graphene has been conceived by a mutually assisted redox reaction between graphene oxide (GO) and pyrrole, followed by thermal treatment at elevated temperatures. NGE exhibits a high surface area of 528 m(2) g(-1) and a pore diameter of similar to 3 to 7 nm. The heat treatment temperature plays a pivotal role in establishing the desired pyrrolic coordination of nitrogen in graphene for the electrochemical oxygen reduction reaction. The NGE sample obtained after heat treatment at 1000 degrees C (NGE-1000) has 53\% pyrrolic nitrogen content compared to the similar samples prepared by treating at low temperatures. Most importantly, NGE-1000 has displayed a significantly low overpotential for oxygen reduction with the onset potential very closely matching that of the commercial 40 wt\% Pt/C. It is noteworthy that the reaction involves the desired 4 electron transfer as observed in the case of the Pt based electrocatalysts, leading to a significantly high kinetic current density of 6 mA cm(-2) at -0.2 V. Moreover, the fuel tolerance and durability under the electrochemical environment of the NGE catalyst is found to be superior to the Pt/C catalyst.

}, issn = {0959-9428}, doi = {10.1039/c2jm35547g}, author = {Unni, SreeKuttan M. and Devulapally, Saikrishna and Karjule, Neeta and Kurungot, Sreekumar} } @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 {42514, title = {Highly selective and dual responsive test paper sensor of Hg2+/ Cr3+ for naked eye detection in neutral water}, journal = {RSC Advances}, volume = {2}, year = {2012}, month = {MAR}, pages = {3714-3721}, abstract = {

A highly selective and sensitive colorimetric and fluorogenic sensor (L1) for Hg2+/Cr3+ is reported. This reagent (L1) was synthesized by reacting 4-((4 (dimethylamino)phenyl)diazenyl)benzene-1-sulfonyl chloride, which has a dimethylaminophenyldiazenyl fragment as a photoactive signalling unit, with 2,2'-(3,3'-azanediylbis(propane-3,1-diyl))diisoindoline-1,3-dione as the receptor fragment. The reagent was characterized by standard analytical and spectroscopic techniques. Electronic spectral studies revealed that the reagent was selective for Hg2+ and Cr3+ in the presence of all other metal ions of Group 1A, IIA and all other common transition metal ions. On binding of L1 to the Hg2+ or Cr3+ centres, a new intense absorption band with a λmax of 509 nm appeared with associated changes in the visually detectable solution colour from yellow to red. Fluorescence spectral studies revealed a significant enhancement in the emission intensities upon coordination to Hg2+ or Cr3+ without any change in the emission wavelength. This could be explained by the efficient interruption of the photo induced electron transfer signalling mechanism involving an unshared pair of electrons from the central tertiary amine centre. An easy to prepare paper test kit, which was obtained by soaking the filter paper in a dichloromethane solution of L1, presents an approach that could be successfully used in the detection of Hg2+ or Cr3+ ions present in neutral aqueous media. This indicates the potential application of this dip strip type sensor for the detection of Hg2+ and Cr3+ in neutral aqueous environments without any spectroscopic instrumentation. Importantly, this reagent binds specifically to Cr3+ in the presence of an excess of iodide ions, which act as a masking agent for Hg2+. To the best of our knowledge, there are very few examples of detection limits lower than the present test strip for Hg2+ in the literature, while, for Cr3+, no such report is available.

}, doi = {10.1039/C2RA00788F}, author = {Das, Priyadip and Ghosh, Amrita and Bhatt, Hitesh and Das, Amitava} } @article { ISI:000308046400038, title = {Hybrid molecules of carvacrol and benzoyl urea/thiourea with potential applications in agriculture and medicine}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {22}, number = {17}, year = {2012}, month = {SEP}, pages = {5550-5554}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

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

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

}, keywords = {Arthrobacter sp lipase, Enantioselectivity, Immobilization, Kinetic resolution, N-vinylpyrrolidone, soluble polymer}, issn = {0883-9115}, doi = {10.1177/0883911512453638}, author = {Chaubey, Asha and Parshad, Rajinder and Taneja, Subhash C. and Deokar, Sarika Babasaheb and Raman, Rajan C. and Ponrathnam, Surendra} } @article { ISI:000300782600014, title = {In situ electrochemical organization of CdSe nanoclusters on graphene during unzipping of carbon nanotubes}, journal = {Chemical Communications}, volume = {48}, number = {25}, year = {2012}, month = {FEB}, pages = {3088-3090}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

In situ decoration of very small CdSe quantum dots on graphene nanoribbons (GNRs) has been achieved during the electrochemical unzipping of single walled carbon nanotubes. Critical parameters like the width of the GNRs, size distribution of quantum dots and their organization on GNRs have been shown to be strongly dependent on the electric field and time.

}, issn = {1359-7345}, doi = {10.1039/c2cc17749h}, author = {Debgupta, Joyashish and Shinde, Dhanraj B. and Pillai, Vijayamohanan K.} } @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 {42519, title = {Interfacial and film formation behavior of photoactive Ru(ii)bipyridyl based metallosurfactants and a rare example of a monolayer based logic gate approach}, journal = {Chempluschem}, volume = {77}, year = {2012}, month = {DEC}, pages = {1096{\textendash}1105}, abstract = {

Three derivatives of tris(bipyridyl){\textendash}ruthenium(II) complexes with different alkyl-chain lengths (nC18H37 (1), nC14H29 (2) and nC10H21 (3)) were synthesised. All these complexes behaved as an amphiphile and their surface properties were studied at the air{\textendash}water interface by measuring surface pressure{\textendash}area (Π{\textendash}A) isotherms. The surface morphology of the resulting films at the air{\textendash}water interface was also studied by using Brewster angle microscopy. Mean molecular areas of these complexes were measured from the Π{\textendash}A isotherms, which were approximately 200 {\r A}2, thereby indicating a parallel arrangement of the Ru{\textendash}bipyridyl moiety of the complexes. Mono- and multilayer Langmuir{\textendash}Blodgett (LB) films were formed on different solid surfaces with transfer ratios close to one. Similarities in the absorption and fluorescence spectra of these amphiphiles in solution as well as in LB films deposited on a quartz surface confirmed the successful transfer of these films onto the substrates. The latter provided information about the arrangements of metallosurfactant molecules within the LB films. The two-dimensional concentrations of these films were calculated from the Lambert{\textendash}Beer law as well as from the Π{\textendash}A isotherm, which confirmed regular and reproducible transfer of the complex monolayers from the air{\textendash}water interface onto the quartz surface. The surface morphology of these films on various substrates was characterised by atomic force microscopy. Furthermore, by oxidising the monolayer of complex 3, a one-input sequential logic gate was constructed.

}, doi = {10.1002/cplu.201200207}, author = {Mahato, Prasenjit and Saha, Sukdeb and Choudhury, Sipra and Das, Amitava} } @article {42499, title = {Interrupted PET coupled TBET process for the design of a specific receptor for Hg2+ and its intracellular detection in MCF7 cells}, journal = {Chemical Communications}, volume = {48}, year = {2012}, month = {JUL}, pages = {9293-9295}, abstract = {

A new coumarin{\textendash}rhodamine conjugate constitutes a unique example of the interrupted PET coupled TBET response for developing an imaging reagent for determining the intracellular distribution of Hg2+ in MCF7 cells exposed to [Hg2+] as low as 2 ppb.

}, doi = {10.1039/C2CC34490D}, author = {Saha, Sukdeb and Mahato, Prasenjit and Baidya, Mithu and Ghosh, Sudip K. and Das, Amitava} } @article { ISI:000311184500039, title = {Isophorone reactor: modelling and performance enhancement}, journal = {Chemical Engineering Journal}, volume = {207}, number = {SI}, year = {2012}, note = {22nd International Symposium on Chemical Reaction Engineering (ISCRE), Maastricht, NETHERLANDS, SEP 02-05, 2012}, month = {OCT}, pages = {349-367}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

The production of isophorone in a reactive distillation column was modelled. Mass transfer and heat transfer accompanied by chemical reactions were incorporated in a dynamic non-equilibrium multistage model. A base case simulation was identified and established. The base case simulation showed the value of key performance indicator that is mass ratio of acetone consumed to isophorone produced as 1.54. The computational model was then used to understand and to evaluate influence of various key design and operating parameters on this key performance indicator. Influence of reactor volume, mass transfer coefficient and feed composition, location and temperature was evaluated. The simulated results indicate that the key performance indicator can be improved (reduce acetone consumed per isophorone produced) by manipulating acetone content in the feed and location of the feed. The presented results will be useful for realising performance enhancement of isophorone and other similar reactors. (C) 2012 Elsevier B.V. All rights reserved.

}, keywords = {Isophorone, Model, Performance enhancement, Reactive distillation}, issn = {1385-8947}, doi = {10.1016/j.cej.2012.06.137}, author = {Darda, Pranay J. and Ranade, Vivek V.} } @article { ISI:000309569200044, title = {Kernel morphometric traits in hexaploid wheat (Triticum aestivum L.) are modulated by intricate QTL x QTL and genotype x environment interactions}, journal = {Journal of Cereal Science}, volume = {56}, number = {2}, year = {2012}, month = {SEP}, pages = {432-439}, publisher = {ACADEMIC PRESS LTD- ELSEVIER SCIENCE LTD}, address = {24-28 OVAL RD, LONDON NW1 7DX, ENGLAND}, abstract = {

Wheat kernel size and shape influence its flour yield and market price. A hexaploid wheat population of 185 recombinant inbred lines was evaluated for five kernel morphometric traits namely, 1000-kernel weight, kernel length, width, length width ratio and factor form density in two diverse agro-climatic regions in India in five to eight year location combinations. Additive main effects and multiplicative interaction analysis revealed significant contributions from genotype (G) and genotype x environment (G x E) effects for these traits. Quantitative trait locus (QTL) analysis by composite interval mapping (CIM) was performed using a linkage map of 251 SSR markers and 59 QTLs distributed on 16 chromosomes were identified. The majority of the QTLs were located on the D genome (44.07\%) and the homeologous chromosomes of Group 2 (38.98\%). Stable QTLs detected in three or more year location combinations were identified for four traits. Multi-trait CIM showed 10 chromosomal regions harboring putative pleiotropic loci. Complexity in the genetic effects was further revealed by QTL analysis based on mixed-linear model that indicated 19 QTLs with significant individual effects (main-effect QTLs) and 14 QTL x QTL interactions. Five of these - nineteen main-effect QTLs and one of the fourteen QTL x QTL interactions showed environmental influence. (c) 2012 Elsevier Ltd. All rights reserved.

}, keywords = {Epistatic QTLs, Genotype x environment interactions, Kernel size and shape, Stable QTLs}, issn = {0733-5210}, doi = {10.1016/j.jcs.2012.05.010}, author = {Prashant, Ramya and Kadoo, Narendra Y. and Desale, Charushila and Kore, Prajakta and Dhaliwal, Harcharan Singh and Chhuneja, Parveen and Gupta, Vidya} } @article { ISI:000304338300004, title = {Kinetic studies of amino acid-based surfactant binding to DNA}, journal = {Journal of Physical Chemistry B}, volume = {116}, number = {20}, year = {2012}, month = {MAY}, pages = {5831-5837}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

In this work, the binding kinetics of amino acid-based surfactants, presenting different linkers and head groups, with calf thymus (CT)-DNA was studied using stopped-flow fluorescence spectroscopy. The kinetic studies were carried out as a function of Na+ concentration and surfactant-to-DNA charge ratio. The surfactant binding on DNA took place in two consecutive steps, for which the corresponding first and second relative rate constants (k(1) and k(2)) were determined. The fast step was attributed to the surfactant binding to DNA and micelle formation in its vicinity, the slower step to DNA condensation and possible rearrangement of the surfactant aggregates. In general, both relative rate constants increase with surfactant concentration and decrease with the ionic strength of the medium. The architecture of the surfactant was found to have a significant impact on the kinetics of the DNA surfactant complexation. Surfactants with amide linkers showed larger relative rate constants than those with ester linkers. The variation of the relative rate constants with the head groups of the surfactants, alanine and proline, was found to be less obvious, being partially dependent on the surfactant concentration.

}, issn = {1520-6106}, doi = {10.1021/jp301069t}, author = {Santhiya, Deenan and Dias, Rita S. and Dutta, Sounak and Das, Prasanta Kumar and Miguel, Maria G. and Lindman, Bjorn and Maiti, Souvik} } @article { ISI:000305033900088, title = {Kinetics of hydrogenation of lauric acid in a batch slurry reactor using Ru-Sn/TiO2 catalyst}, journal = {Asian Journal of Chemistry}, volume = {24}, number = {6}, year = {2012}, month = {JUN}, pages = {2767-2771}, publisher = {ASIAN JOURNAL OF CHEMISTRY}, address = {11/100 RAJENDRA NAGAR, SECTOR 3,, SAHIBABAD 201 005, GHAZIABAD, INDIA}, abstract = {

Ru-Sn catalyst was prepared in-house by impregnation method. This catalyst was found to be stable for four recycles. The rate of hydrogenation of lauric acid (LAC) using Ru-Sn/TiO2 catalyst was found to be linearly dependent on catalyst loading, lauric acid concentration old hydrogen partial pressure. The rate data obtained from kinetic study were fitted to simple rate equation based on Langmuir-Hinshelwood (L-H) type model. Based on kinetic data the hydrogenation of lauric acid over Ru-Sn/TiO2 catalyst is proposed to occur by I dual site mechanism the activation energy for hydrogenation of lauric acid to lauryl alcohol (LAOH) using Rii-Sn/TiO2 catalyst was found to be 77.2 kJ/mol.

}, keywords = {Hydrogenation, kinetics, Langmuir-Hinshelwood model, Ru-Sn/TiO2 catalyst}, issn = {0970-7077}, author = {Shinde, S. B. and Deshpande, R. M.} } @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:000308519200010, title = {Larvicidal potential of mimusops elengi against aedes aegypti (L) and Culex quinquefasciatus (Say)}, journal = {Journal of Vector Borne Diseases}, volume = {49}, number = {2}, year = {2012}, month = {JUN}, pages = {111-113}, publisher = {MALARIA RESEARCH CENTRE, INDIAN COUNCIL MEDICAL RESEARCH-ICMR}, address = {22 SHAM NATH MARG, DELHI, 00000, INDIA}, keywords = {Aedes aegypti, Culex quinquefasciatus, larvicidal activity, Mimusops elengi}, issn = {0972-9062}, author = {Ruikar, Anjali D. and Pawar, Pushpa V. and Sen, Avalokiteswar and Phalgune, Usha D. and Puranik, Vedavati G. and Deshpande, Nirmala R.} } @article { ISI: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:000300458300075, title = {Low plasma albumin levels are associated with increased plasma protein glycation and HbA1c in diabetes}, journal = {Journal of Proteome Research}, volume = {11}, number = {2}, year = {2012}, month = {FEB}, pages = {1391-1396}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Albumin is one of the most abundant plasma proteins and is heavily glycated in diabetes. In this study, we have addressed whether variation in the albumin levels influence glycation of plasma proteins and HbA1c. The study was performed in three systems: (1) streptozotocin (STZ)-induced diabetic mice plasma, (2) diabetic clinical plasma, and (3) in vitro glycated plasma. Diabetic mice and clinical plasma samples were categorized as diabetic high albumin plasma (DHAP) and diabetic low albumin plasma (DLAP) on the basis of their albumin levels. For the in vitro experiment, two albumin levels, high albumin plasma (HAP) and low albumin plasma (LAP), were created by differential depletion of plasma albumin. Protein glycation was studied by using a combination of two-dimensional electrophoresis (2DE), Western blotting, and LC-MSE. In both mice and clinical experiments, an increased plasma protein glycation was observed in DLAP than in DHAP. Additionally, plasma albumin levels were negatively correlated with HbA1c. The in vitro experiment with differential depletion of albumin mechanistically showed that the low albumin levels are associated with increased plasma protein glycation and that albumin competes for glycation with other plasma proteins.

}, keywords = {advanced glycation end products (AGEs), Albumin, glucose, post translational modification}, issn = {1535-3893}, doi = {10.1021/pr201030m}, author = {Bhonsle, Hemangi S. and Korwar, Arvind M. and Kote, Sachin S. and Golegaonkar, Sandeep B. and Chougale, Ashok D. and Shaik, Mahemud L. and Dhande, Nitin L. and Giri, Ashok P. and Shelgikar, Kishore M. and Boppana, Ramanamurthy and Kulkarni, Mahesh J.} } @article { ISI: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:000313404400021, title = {Magnetic properties of nanocrystalline CoFe2O4 synthesized by thermal plasma in large scale}, journal = {Materials Chemistry and Physics}, volume = {137}, number = {2}, year = {2012}, month = {DEC}, pages = {586-595}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

The paper reports the large scale synthesis of nanoparticles of CoFe2O4 using thermal plasma reactor by gas phase condensation method. The yield of formation was found to be around 15 g h(-1). The magnetic properties of CoFe2O4, synthesized at different reactor powers, were investigated in view of studying the effect of operating parameters of plasma reactor on the structural reorganization leading to the different cation distribution. The values of saturation magnetization, coercivity and remanent magnetization were found to be influenced by input power in thermal plasma. Although the increase in saturation magnetization was marginal (61 emu g(-1) to 70 emu g(-1)) with increasing plasma power; a significant increase in the coercivity (552 Oe to 849 Oe) and remanent magnetization (16 emu g(-1) to 26 emu g(-1)) were also noticed. The Mossbauer spectra showed mixed spinel structure and canted spin order for the as synthesized nanoparticles. The detailed analysis of cation distribution using the Mossbauer spectroscopy and X-ray photoelectron spectroscopy leads to the conclusion that the sample synthesized at an optimized power shows the different site selective states. (C) 2012 Elsevier B.V. All rights reserved.

}, keywords = {Magnetic materials, magnetic properties, Mossbauer spectroscopy, Nanostructures}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2012.10.007}, author = {Nawale, A. B. and Kanhe, Nilesh S. and Patil, K. R. and Reddy, V. R. and Gupta, A. and Kale, B. B. and Bhoraskar, S. V. and Mathe, Vikas L. and Das, A. K.} } @article { ISI:000302902200006, title = {Mechanical properties of polypropylene blended with esterified and alkylated lignin}, journal = {Journal of Applied Polymer Science}, volume = {125}, number = {3}, year = {2012}, month = {AUG}, pages = {1701-1712}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {

Lignin does not show miscibility with commercial polyolefins. Therefore, industrial waste lignin was modified in two different ways and subsequently blended with commercial polypropylene (PP) up to 25 wt \%. A Brabender electronic plasticorder was used for melt mixing at 190 degrees C. The influence of different modifications on the mechanical properties and processing stability was studied for both polymer blends. The blends of PP and lignin modified (esterified) with maleic anhydride showed less deterioration in the mechanical properties compared to blends of PP and alkylated lignin with dichloroethane. Intermolecular interactions between the PP matrix and modified lignin were concluded on the basis of indicative values derived from various relevant theoretical models to the experimental data. (c) 2012 Wiley Periodicals, Inc. J Appl Polym Sci, 2012

}, keywords = {mechanical properties, miscibility, modification, polymer blends}, issn = {0021-8995}, doi = {10.1002/app.35633}, author = {Maldhure, Atul V. and Ekhe, J. D. and Deenadayalan, E.} } @article { ISI:000298854300041, title = {Metal and metal oxide nanoparticle synthesis from metal organic frameworks (MOFs): finding the border of metal and metal oxides}, journal = {Nanoscale}, volume = {4}, number = {2}, year = {2012}, month = {DEC}, pages = {591-599}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Herein, for the first time, we report a generalized strategy for the successful synthesis of highly crystalline metal and metal oxide nanoparticles embedded in a carbon matrix by the controlled thermolysis of metal organic frameworks (MOFs). The rationalized synthesis strategy of a broad range of metal and metal oxides nanoparticles, such as Cu/CuO, Co/Co3O4, ZnO, Mn2O3, MgO and CdS/CdO, by thermolysis of MOFs demonstrates for the first time that metal ions with a reduction potential of -0.27 volts or higher present in MOFs always form pure metal nanoparticles during thermolysis in N-2, whereas metal ions with a reduction potential lower than -0.27 volts form metal oxide nanoparticles during thermolysis in N-2. Another point of interest is the fact that we have found a unique relationship between the nanoparticle size and the distance between the secondary building units inside the MOF precursors. Interestingly, the crystallinity of the carbon matrix was also found to be greatly influenced by the environment (N-2 and air) during thermolysis. Moreover, these nanoparticles dispersed in a carbon matrix showed promising H-2 and CO2 adsorption properties depending on the environment used for the thermolysis of MOFs.

}, issn = {2040-3364}, doi = {10.1039/c1nr10944h}, author = {Das, Raja and Pachfule, Pradip and Banerjee, Rahul and Poddar, Pankaj} } @article { ISI:000302023500017, title = {Morphology controlled synthesis of LiV(2)0(5)/Ag nanocomposite nanotubes with enhanced electrochemical performance}, journal = {RSC Advances}, volume = {2}, number = {8}, year = {2012}, month = {MAR}, pages = {3231-3233}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Uniformly embedded silver (Ag) nanoparticles in orthorhombic nanotubes (NTs) of lithium vanadium oxide (LVO) synthesized via a facile template-free hydrothermal treatment at low temperature exhibited an excellent morphology with good crystallinity and may act as an exceptional contender for electronic applications.

}, issn = {2046-2069}, doi = {10.1039/c2ra01289h}, author = {Diggikar, Rahul S. and Dhavale, Vishal M. and Shinde, Dhanraj B. and Kanbargi, Nihal S. and Kulkarni, Milind V. and Kale, Bharat B.} } @article { ISI:000303696200040, title = {Multiple topologies from glycopolypeptide-dendron conjugate self-assembly: nanorods, micelles, and organogels}, journal = {Journal of the American Chemical Society}, volume = {134}, number = {18}, year = {2012}, month = {APR}, pages = {7796-7802}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Glycopolypeptides (GPs) were synthesized by ring-opening polymerization of glycosylated N-carboxyanhydride monomer and attached to hydrophobic dendrons at one chain end by {\textquoteleft}{\textquoteleft}click{\textquoteright}{\textquoteright} reaction to obtain amphiphilic anisotropic macromolecules. We show that by varying polypeptide chain length and dendron generation, an organogel was obtained in dimethylsulfoxide, while nanorods and micellar aggregates were observed in aqueous solutions. Assemblies in water were characterized by electron microscopy and dye encapsulation. Secondary structure of the GP chain was shown to affect the morphology, whereas the chain length of the poly(ethylene glycol) linker between the GP and dendron did not alter rod-like assemblies. Bioactive surface chemistry of these assemblies displaying carbohydrate groups was demonstrated by interaction of mannose-functionalized nanorods with ConA.

}, issn = {0002-7863}, doi = {10.1021/ja300065f}, author = {Pati, Debasis and Kalva, Nagendra and Das, Soumen and Kumaraswamy, Guruswamy and Sen Gupta, Sayam and Ambade, Ashootosh V.} } @article { ISI:000299291900033, title = {Nanocomposite silica surfactant microcapsules by evaporation induced self assembly: tuning the morphological buckling by modifying viscosity and surface charge}, journal = {Soft Matter}, volume = {8}, number = {6}, year = {2012}, month = {DEC}, pages = {1955-1963}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Nanocomposite microcapsules of silica and surfactants have been synthesized using evaporation induced self-assembly through spray drying. It was established using electron microscopy and small-angle neutron/X-ray scattering experiments that the viscosity of the virgin dispersion and surface charge of colloidal components play a significant role in the buckling of spray droplets during drying. Hollow spherical grains are realized at relatively low viscosity and higher surface charge while mushroom like grains manifest at higher viscosity and lower surface charge. In the intermediate conditions, deformed doughnut shaped microcapsules are obtained. Scattering experiments establish the presence of the organization of micelle like aggregates of surfactants in the dried grains and also corroborate with the observations from electron microscopy. A plausible mechanism regarding the chronological pathways of morphological transformation is illustrated. Computer simulation, based on buckling of an elastic shell using a surface evolver, has been attempted in order to corroborate the experimental results.

}, issn = {1744-683X}, doi = {10.1039/c1sm06964k}, author = {Sen, D. and Bahadur, Jitendra and Mazumder, S. and Verma, G. and Hassan, P. A. and Bhattacharya, S. and Vijai, K. and Doshi, Pankaj} } @article {42496, title = {New chemodosimetric reagents as ratiometric probes for cysteine and homocysteine and possible detection in living cells and in blood plasma}, journal = {Chemistry a European Journal}, volume = {18}, year = {2012}, month = {NOV}, pages = {15382{\textendash}15393}, abstract = {

In this work, we have rationally designed and synthesized two new reagents (L1 and L2), each bearing a pendant aldehyde functionality. This aldehyde group can take part in cyclization reactions with β- or γ-amino thiols to yield the corresponding thiazolidine and thiazinane derivatives, respectively. The intramolecular charge-transfer (ICT) bands of these thiazolidine and thiazinane derivatives are distinctly different from those of the molecular probes (L1 and L2). Such changes could serve as a potential platform for using L1 and L2 as new colorimetric/fluorogenic as well as ratiometric sensors for cysteine (Cys) and homocysteine (Hcy) under physiological conditions. Both reagents proved to be specific towards Cys and Hcy even in the presence of various amino acids, glucose, and DNA. Importantly, these two chemodosimetric reagents could be used for the quantitative detection of Cys present in blood plasma by using a pre-column HPLC technique. Such examples are not common in contemporary literature. MTT assay studies have revealed that these probes have low cytotoxicity. Confocal laser scanning micrographs of cells demonstrated that these probes could penetrate cell membranes and could be used to detect intracellular Cys/Hcy present within living cells. Thus, the results presented in this article not only demonstrate the efficiency and specificity of two ratiometric chemodosimeter molecules for the quantitative detection of Cys and Hcy, but also provide a strategy for developing reagents for analysis of these vital amino acids in biological samples.

}, keywords = {charge transfer; chemodosimetric detection; cysteine/ homocysteine sensors; fluorescent probes; imaging agents; ratiometric probes}, doi = {10.1002/chem.201201621}, author = {Das, Priyadip and Mandal, Amal Kumar and Chandar, Nellore Bhanu and Baidya, Mithu and Bhatt, Harshad B. and Ganguly, Bishwajit and Ghosh, Sudip K. and Das, Amitava} } @article { ISI:000299054200028, title = {Nitrogen-rich porous covalent imine network (CIN) material as an efficient catalytic support for C-C coupling reactions}, journal = {Dalton Transactions}, volume = {41}, number = {4}, year = {2012}, month = {DEC}, pages = {1304-1311}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

In an effort to expand the realm of possibilities of nitrogen-rich porous materials that could be used in catalysis, herein we report the synthesis of a new highly nitrogen rich (ca. 45\%) porous covalent imine network (CIN-1) material employing simple Schiff base chemistry and further grafting its surface with palladium. Pd-loaded CIN-1 support acts as a truly heterogeneous catalyst towards Suzuki C-C coupling reaction between aryl halides with arylboronic acids. High surface area and excellent accessibility of the catalytic sites make it very efficient for heterogeneous catalysis. The stability of the catalyst due to intimate contact between nitrogen-rich organic support and metal allows several reuses with only a minor loss in catalytic activity.

}, issn = {1477-9226}, doi = {10.1039/c1dt11350j}, author = {Bhunia, Manas K. and Das, Swapan K. and Pachfule, Pradip and Banerjee, Rahul and Bhaumik, Asim} } @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:000306651100077, title = {Novel anti-inflammatory activity of epoxyazadiradione against macrophage migration inhibitory factor inhibition of tautomerase and proinflammatory activities of macrophage migration inhibitory factor}, journal = {Journal of Biological Chemistry}, volume = {287}, number = {29}, year = {2012}, month = {JUL}, pages = {24844-24861}, publisher = {AMER SOC BIOCHEMISTRY MOLECULAR BIOLOGY INC}, address = {9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3996 USA}, abstract = {

Macrophage migration inhibitory factor (MIF) is responsible for proinflammatory reactions in various infectious and noninfectious diseases. We have investigated the mechanism of anti-inflammatory activity of epoxyazadiradione, a limonoid purified from neem (Azadirachta indica) fruits, against MIF. Epoxyazadiradione inhibited the tautomerase activity of MIF of both human (huMIF) and malaria parasites (Plasmodium falciparum (PfMIF) and Plasmodium yoelii (PyMIF)) non-competitively in a reversible fashion (K-i, 2.11-5.23 mu M). Epoxyazadiradione also significantly inhibited MIF (huMIF, PyMIF, and PfMIF)-mediated proinflammatory activities in RAW 264.7 cells. It prevented MIF-induced macrophage chemotactic migration, NF-kappa B translocation to the nucleus, up-regulation of inducible nitric-oxide synthase, and nitric oxide production in RAW 264.7 cells. Epoxyazadiradione not only exhibited anti-inflammatory activity in vitro but also in vivo. We tested the anti-inflammatory activity of epoxyazadiradione in vivo after co-administering LPS and MIF in mice to mimic the disease state of sepsis or bacterial infection. Epoxyazadiradione prevented the release of proinflammatory cytokines such as IL-1 alpha, IL-1 beta, IL-6, and TNF-alpha when LPS and PyMIF were co-administered to BALB/c mice. The molecular basis of interaction of epoxyazadiradione with MIFs was explored with the help of computational chemistry tools and a biological knowledge base. Docking simulation indicated that the binding was highly specific and allosteric in nature. The well known MIF inhibitor (S, R)-3-(4-hydroxyphenyl)-4,5-dihydro-5-isoxazole acetic acid methyl ester (ISO-1) inhibited huMIF but not MIF of parasitic origin. In contrast, epoxyazadiradione inhibited both huMIF and plasmodial MIF, thus bearing an immense therapeutic potential against proinflammatory reactions induced by MIF of both malaria parasites and human.

}, issn = {0021-9258}, doi = {10.1074/jbc.M112.341321}, author = {Alam, Athar and Haldar, Saikat and Thulasiram, Hirekodathakallu V. and Kumar, Rahul and Goyal, Manish and Iqbal, Mohd Shameel and Pal, Chinmay and Dey, Sumanta and Bindu, Samik and Sarkar, Souvik and Pal, Uttam and Maiti, Nakul C. and Bandyopadhyay, Uday} } @article { ISI:000307814000728, title = {Novel mechanism involved in temporal regulation of skin pigmentation homeostasis}, journal = {Journal of Investigative Dermatology}, volume = {132}, number = {2}, year = {2012}, note = {42nd Annual Meeting of the European-Society-for-Dermatological-Research (ESDR), Venice, ITALY, SEP 07-10, 2012}, month = {SEP}, pages = {S128}, publisher = {European Soc Dermatol Res (ESDR)}, address = {75 VARICK ST, 9TH FLR, NEW YORK, NY 10013-1917 USA}, issn = {0022-202X}, author = {Ganju, Parul and Natarajan, V. T. and Singh, A. and Vijayan, V. and Dani, Prachi P. and Kar, H. K. and Natarajan, K. and Gadgil, Chetan J. and Rani, R. and Gokhale, R. S.} } @article { ISI:000311971400028, title = {Novel porous silica encapsulated Au nanoreactors as peroxidase mimic for one-pot glucose detection}, journal = {New Journal of Chemistry}, volume = {36}, number = {12}, year = {2012}, month = {DEC}, pages = {2625-2629}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The peroxidase family of natural enzymes facilitate H2O2 reduction by one electron transfer through aromatic substrates, if chromogenic, they can be used in the colorimetric detection of H2O2 and subsequently glucose in tandem with glucose oxidase. Au nanoparticles encapsulated within porous silica exhibited peroxidase mimetic activity and kinetic parameter evaluation indicates an excellent affinity for H2O2. It is also shown to have a detection capability for glucose in very low concentrations and could be used for glucose detection in a one-pot assay. The material is synthesised by using cation-ended thiol-stabilised ultra small gold clusters as precursors. Removal of the thiols creates micropores within the silica, making this material unique in that the active centres are protected inside the silica, yet are accessible to reactant molecules. This characteristic makes the material ideal as a detection tool where attrition resistance will be advantageous.

}, issn = {1144-0546}, doi = {10.1039/c2nj40665a}, author = {Samanta, Anupam and Dhar, Basab B. and Devi, R. Nandini} } @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:000305092400004, title = {NOx catalyzed pathway of stratospheric ozone depletion: a coupled cluster investigation}, journal = {Journal of Chemical Theory and Computation}, volume = {8}, number = {6}, year = {2012}, month = {MAY}, pages = {1895-1901}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

We report a theoretical investigation on the NOx catalyzed pathways of stratospheric ozone depletion using highly accurate coupled cluster methods. These catalytic reactions represent a great challenge to state-of-the-art ab initio methods, while their mechanisms remain unclear to both experimentalists and theoreticians. In this work, we have used the so-called {\textquoteleft}{\textquoteleft}gold standard of quantum chemistry,{\textquoteright}{\textquoteright} the CCSD(T) method, to identify the saddle points on NOx-based reaction pathways of ozone hole formation. Energies of the saddle points are calculated using the multireference variants of coupled cluster methods. The calculated activation energies and rate constants show good agreement with available experimental results. Tropospheric precursors to stratospheric NOx radicals have been identified, and their potential importance in stratospheric chemistry has been discussed. Our calculations resolve previous conflicts between ab initio and experimental results for a trans nitro peroxide intermediate, in the NOx catalyzed pathway of ozone depletion.

}, issn = {1549-9618}, doi = {10.1021/ct300209s}, author = {Dutta, Achintya Kumar and Vaval, Nayana and Pal, Sourav} } @article { ISI:000308631300056, title = {Observation of enhanced dielectric coupling and room-temperature ferromagnetism in chemically synthesized BiFeO3@SiO2 core-shell particles}, journal = {Journal of Physical Chemistry C}, volume = {116}, number = {36}, year = {2012}, month = {SEP}, pages = {19503-19511}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

We report the effect of SiO2 coating on the structural, magnetic, and dielectric properties of chemically synthesized high-purity BiFeO3 particles. The assynthesized BiFeO3 particles demonstrate properties comparable with those reported for bulk BiFeO3. On the other hand, the structural measurement on BiFeO3@SiO2 shows that the SiO2 coating has anisotropically compressed the lattice of BiFeO3 particles and stimulates the variation in the electron density. This affects magnetic and dielectric behavior of material. Frequency-dependent dielectric constant study at low temperature (20-325 K) revealed slight reduction (8-10\%) in the dielectric constant of BiFeO3@SiO2 particles compared to uncoated BiFeO3 particles. The study reveals five anomalies at 234, 206, 146, 84, and 25 K located in close proximity to the linear magnetodielectric coupling and spin reorientation transitions. The loss tangent (approximate to 10(-3)) and alternating current (ac) conductivity (approximate to 10(-8) Omega(-1)cm(-1)) of BiFeO3@SiO2 particles are orders of magnitude lower than those observed for the BiFeO3 particles. The magnetic measurement shows the existence of room-temperature ferromagnetism in BiFeO3@SiO2 particles with average value of magnetic moment per Fe atom approximate to 0.030 mu(B) and appreciable coercivity as high as 120 Oe. The canted spin structure in the surface shell of BiFeO3@SiO2 particles show an enhanced magnetic property and shifted hysteresis loop. The magnetic measurement in close proximity to dielectric transitions revealed enhanced magnetization, suggesting the presence of anisotropies. It has been observed that SiO2 coating alters the properties of BiFeO3 particles. Our dielectric and magnetic measurements show enhanced coupling among the electric and magnetic ordered parameters in BiFeO3@SiO2 core-shell particles compared to uncoated BiFeO3 particles. The magnetic and dielectric properties of SiO2-coated BiFeO3 are similar to nanoparticles of BiFeO3 where interface plays a significant role.

}, issn = {1932-7447}, doi = {10.1021/jp3025683}, author = {Shirolkar, Mandar M. and Das, Raja and Maity, Tuhin and Poddar, Pankaj and Kulkarni, Sulabha K.} } @article { ISI:000303442500016, title = {One pot glucose detection by [Fe-III(biuret-amide)] immobilized on mesoporous silica nanoparticles: an efficient HRP mimic}, journal = {Chemical Communications}, volume = {48}, number = {43}, year = {2012}, month = {APR}, pages = {5289-5291}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

An [Fe-III(biuret-amide)] complex has been immobilized onto mesoporous silica nanoparticles via Cu(I) catalyzed azide-alkyne click chemistry. This hybrid material functions as an efficient peroxidase mimic and was successfully used for the quantitative determination of hydrogen peroxide and glucose via a one-pot colorimetric assay.

}, issn = {1359-7345}, doi = {10.1039/c2cc30970j}, author = {Malvi, Bharmana and Panda, Chakadola and Dhar, Basab B. and Sen Gupta, Sayam} } @article { ISI:000302164500022, title = {One-Pot method for the selective conversion of hemicellulose from crop waste into C5 sugars and furfural by using solid acid catalysts}, journal = {Chemsuschem}, volume = {5}, number = {4}, year = {2012}, month = {APR}, pages = {751-761}, publisher = {WILEY-V C H VERLAG GMBH}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {

We present a solid-acid catalyzed one-pot method for the selective conversion of solid hemicellulose without its separation from other lignocellulosic components, such as cellulose and lignin. The reactions were carried out in aqueous and biphasic media to yield xylose, arabinose, and furfural. To overcome the drawbacks posed by mineral acid methods in converting hemicelllulose, we used heterogeneous catalysts that work at neutral pH. In a batch reactor, these heterogeneous catalysts, such as solid acids (zeolites, clays, metal oxides etc.), resulted in \>90\% conversion of hemicellulose. It has been shown that the selectivity for the products can be tuned by changing the reaction conditions, for example, a reaction carried out in water at 170 degrees C for 1 h with HBeta (Si/Al=19) and HUSY (Si/Al=15) catalysts gave yields of 62 and 56\% for xylose and arabinose, respectively. With increased reaction time (6 h) and in presence of only water, HUSY resulted in yields of 30\% xylose+arabinose and 18\% furfural. However, in a biphasic reaction system (water+p-xylene, 170 degrees C, 6 h) yields of 56\% furfural with 17\% xylose+arabinose could be achieved. It was shown that with the addition of organic solvent the furfural yield could be increased from 18 to 56\%. Under optimized reaction conditions, \>90\% carbon balance was observed. The study revealed that catalysts were recyclable with a 20\% drop in activity for each subsequent run. It was observed that temperature, pressure, reaction time, substrate to catalyst ratio, solvent, and so forth had an effect on product formation. The catalysts were characterized by means of X-ray diffraction, temperature-programmed desorption of NH3, inductively coupled plasma spectroscopy, elemental analysis, and solid-state NMR (Si-29, Al-27) spectroscopy techniques.

}, keywords = {analytical methods, Biomass, carbohydrates, heterogeneous catalysis, zeolites}, issn = {1864-5631}, doi = {10.1002/cssc.201100448}, author = {Sahu, Ramakanta and Dhepe, Paresh Laxmikant} } @article { ISI:000311698800036, title = {One-pot sol-gel preparation for efficient cobalt-molybdenum-titania hydrotreating catalysts}, journal = {Chemcatchem}, volume = {4}, number = {12}, year = {2012}, month = {DEC}, pages = {2112-2120}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

Titania-based hydrodesulfurization catalysts were prepared by using a one-pot solgel method with the titanium peroxo complex as titanium precursor and molybdenum and cobalt precursors dissolved in the aqueous hydrogen peroxide solution used during synthesis. Catalysts with MoO3 loadings varying from 5 to 40 wt?\% and a Co/Mo atomic ratio of 0.5 were prepared. Solids with molybdenum loadings below 20 wt?\% MoO3 demonstrated poor hydrodesulfurization activity for the model compound thiophene. This was attributed to the presence of a large amount of embedded cobalt and molybdenum species in the titania matrix. A significant increase in the catalytic activity was observed for solids containing 20 and 25 wt?\% of MoO3 on which active species appeared to be accessible on the titania surface. Furthermore, the highest conversion obtained on these solgel solids was superior to the highest conversion obtained on reference catalysts prepared through the impregnation of ammonium heptamolybdate and cobalt nitrate on commercial titania.

}, keywords = {cobalt, heterogeneous catalysis, Molybdenum, sol-gel process, titanium}, issn = {1867-3880}, doi = {10.1002/cctc.201200165}, author = {Nguyen, D. L. and Gillot, S. and Souza, D. O. and Blanchard, P. and Lamonier, Carole and Berrier, E. and Kotbagi, T. V. and Dongare, Mohan K. and Shubhangi B. Umbarkar and Cristol, S. and Payen, E. and Lancelot, Christine} } @article { ISI:000300047600017, title = {Organocatalytic stereoselective synthesis of passifloricin A}, journal = {Organic \& Biomolecular Chemistry}, volume = {10}, number = {9}, year = {2012}, month = {DEC}, pages = {1820-1825}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The enantioselective synthesis of passifloricin A has been achieved in high diastereomeric excess. The 1,3-polyol moiety was constructed by iterative proline-catalyzed sequential alpha-aminoxylation and Horner-Wadsworth-Emmons (HWE) olefination of aldehydes while the synthesis of lactone moiety was achieved by ring-closing metathesis (RCM).

}, issn = {1477-0520}, doi = {10.1039/c2ob06711k}, author = {Kumar, Pradeep and Pandey, Menaka and Gupta, Priti and Dhavale, Dilip D.} } @article {42516, title = {Photosensitization of nanoparticulate TiO2 using a Re(I)-polypyridyl complex: studies on interfacial electron transfer in the ultrafast time domain}, journal = {Physical Chemistry Chemical Physics}, volume = {14}, year = {2012}, month = {APR}, pages = {8192-8198}, abstract = {

We have synthesized a new photoactive rhenium(I)-complex having a pendant catechol functionality [Re(CO)3Cl(L)] (1) (L is 4-[2-(4'-methyl-2,2'-bipyridinyl-4-yl)vinyl]benzene-1,2-diol) for studying the dynamics of the interfacial electron transfer between nanoparticulate TiO2 and the photoexcited states of this Re(I)-complex using femtosecond transient absorption spectroscopy. Our steady state absorption studies revealed that complex 1 can bind strongly to TiO2 surfaces through the catechol functionality with the formation of a charge transfer (CT) complex, which has been confirmed by the appearance of a new red-shifted CT band. The longer wavelength absorption band for 1, bound to TiO2 through the proposed catecholate functionality, could also be explained based on the DFT calculations. Dynamics of the interfacial electron transfer between 1 and TiO2 nanoparticles was investigated by studying kinetics at various wavelengths in the visible and near infrared regions. Electron injection into the conduction band of the nanoparticulate TiO2 was confirmed by detection of the conduction band electron in TiO2 (Image ID:c2cp24105f-t1.gif) and the cation radical of the adsorbed dye (1˙+) in real time as monitored by transient absorption spectroscopy. A single exponential and pulse-width limited (\<100 fs) electron injection was observed. Back electron transfer dynamics was determined by monitoring the decay kinetics of 1˙+ and Image ID:c2cp24105f-t2.gif.

}, doi = {10.1039/C2CP24105F}, author = {Kar, Prasenjit and Banerjee, Tanmay and Verma, Sandeep and Sen, Anik and Das, Amitava and Ganguly, Bishwajit and Ghosh, Hirendra N.} } @article { ISI:000303366000001, title = {Polymorphs, salts, and cocrystals: what{\textquoteright}s in a name?}, journal = {Crystal Growth \& Design}, volume = {12}, number = {5}, year = {2012}, month = {MAY}, pages = {2147-2152}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The December 2011 release of a draft United States Food and Drug Administration (FDA) guidance concerning regulatory classification of pharmaceutical cocrystals of active pharmaceutical ingredients (APIs) addressed two matters of topical interest to the crystal engineering and pharmaceutical science communities: (1) a proposed definition of cocrystals; (2) a proposed classification of pharmaceutical cocrystals as dissociable {\textquoteleft}{\textquoteleft}API-excipient{\textquoteright}{\textquoteright} molecular complexes. The Indo U.S. Bilateral Meeting sponsored by the Indo-U.S. Science and Technology Forum titled The Evolving Role of Solid State Chemistry in Pharmaceutical Science was held in Manesar near Delhi, India, from February 2-4, 2012. A session of the meeting was devoted to discussion of the FDA guidance draft. The debate generated strong consensus on the need to define cocrystals more broadly and to classify them like salts. It was also concluded that the diversity of API crystal forms makes it difficult to classify solid forms into three categories that are mutually exclusive. This perspective summarizes the discussion in the Indo-U.S. Bilateral Meeting and includes contributions from researchers who were not participants in the meeting.

}, issn = {1528-7483}, doi = {10.1021/cg3002948}, author = {Aitipamula, Srinivasulu and Banerjee, Rahul and Bansal, Arvind K. and Biradha, Kumar and Cheney, Miranda L. and Choudhury, Angshuman Roy and Desiraju, Gautam R. and Dikundwar, Amol G. and Dubey, Ritesh and Duggirala, Nagakiran and Ghogale, Preetam P. and Ghosh, Soumyajit and Goswami, Pramod Kumar and Goud, N. Rajesh and Jetti, Ram R. K. R. and Karpinski, Piotr and Kaushik, Poonam and Kumar, Dinesh and Kumar, Vineet and Moulton, Brian and Mukherjee, Arijit and Mukherjee, Gargi and Myerson, Allan S. and Puri, Vibha and Ramanan, Arunachalam and Rajamannar, T. and Reddy, C. Malla and Rodriguez-Hornedo, Nair and Rogers, Robin D. and Row, T. N. Guru and Sanphui, Palash and Shan, Ning and Shete, Ganesh and Singh, Amit and Sun, Changquan C. and Swift, Jennifer A. and Thaimattam, Ram and Thakur, Tejender S. and Thaper, Rajesh Kumar and Thomas, Sajesh P. and Tothadi, Srinu and Vangala, Venu R. and Variankaval, Narayan and Vishweshwar, Peddy and Weyna, David R. and Zaworotko, Michael J.} } @article { ISI:000306942300059, title = {Polymorphs, salts and cocrystals: what{\textquoteright}s in a name? (vol 12, pg 2147, 2012)}, journal = {Crystal Growth \& Design}, volume = {12}, number = {8}, year = {2012}, month = {AUG}, pages = {4290-4291}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, issn = {1528-7483}, doi = {10.1021/cg300704b}, author = {Aitipamula, Srinivasulu and Banerjee, Rahul and Bansal, Arvind K. and Biradha, Kumar and Cheney, Miranda L. and Choudhury, Angshuman Roy and Desiraju, Gautam R. and Dikundwar, Amol G. and Dubey, Ritesh and Duggirala, Nagakiran and Ghogale, Preetam P. and Ghosh, Soumyajit and Goswami, Pramod Kumar and Goud, N. Rajesh and Jetti, Ram R. K. R. and Karpinski, Piotr and Kaushik, Poonam and Kumar, Dinesh and Kumar, Vineet and Moulton, Brian and Mukherjee, Arijit and Mukherjee, Gargi and Myerson, Allan S. and Puri, Vibha and Ramanan, Arunachalam and Rajamannar, T. and Reddy, C. Malla and Rodriguez-Hornedo, Nair and Rogers, Robin D. and Row, T. N. Guru and Sanphui, Palash and Shan, Ning and Shete, Ganesh and Singh, Amit and Sun, Changquan C. and Swift, Jennifer A. and Thaimattam, Ram and Thakur, Tejender S. and Thaper, Rajesh Kumar and Thomas, Sajesh P. and Tothadi, Srinu and Vangala, Venu R. and Vishweshwar, Peddy and Weyna, David R. and Zaworotko, Michael J.} } @article { ISI:000311522500055, title = {Porous ZnO nanorod for targeted delivery of doxorubicin: in vitro and in vivo response for therapeutic applications}, journal = {Journal of Materials Chemistry}, volume = {22}, number = {45}, year = {2012}, month = {DEC}, pages = {24145-24154}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Cancer cell specific targeted delivery (TDD) by porous nanocarrier is on a high role. Here in a simple route for the synthesis of porous ZnO nanorods (ZnO) has been demonstrated. ZnO expressed very high surface area of 305.14 m(2) g(-1) (S-BET) and uniformly distributed pores of 5 nm. In continuation ZnO has been fabricated with 3-aminophosphonic acid followed by folic acid to yield folate conjugated porous ZnO nanorod (ZnO-FA). High surface area, uniformly distributed pores on its surface make the nanocarrier suitable for high drug loading (88\%) of the anticancer drug doxorubicin (DOX). A pH triggered drug release was observed with minimum release in pathophysical conditions. In vitro efficacy of DOX loaded ZnO-FA (ZnO-FA-DOX) has been evaluated against breast cancer cells MDA-MB-231, which is not possible alone by DOX or ZnO-FA. Targeted scaffold with pendant -NH2 group has been covalently bonded with fluorescent dye (RITC) for cellular uptake and imaging studies in MDA-MB-231 cells; the possible pathway for cancer regression has also been evaluated. Even in vivo acute and intravenous toxicological evaluation on murine model system complemented biocompatibility of ZnO-FA in TDD. All together we have collaged a template free synthesis of porous ZnO nanorod, successful targeting on to cancer cells, high drug loading, pH triggered drug release, in vitro efficacy of ZnO-FA-DOX against MDA-MB-231 cells and in vivo compatibility as well. We envisioned the future prospect of porous ZnO nanostructures in TDD.

}, issn = {0959-9428}, doi = {10.1039/c2jm35013k}, author = {Mitra, Shouvik and Subia, B. and Patra, Prasun and Chandra, Sourov and Debnath, Nitai and Das, Sumistha and Banerjee, Rahul and Kundu, Subhas C. and Pramanik, Panchanan and Goswami, Arunava} } @article { ISI:000309634900001, title = {Practical and highly efficient protocol for multicomponent synthesis of beta-phosphonomalononitriles and 2-amino-4H-chromen-4-yl phosphonates using diethylamine as a novel organocatalyst}, journal = {Comptes Rendus Chimie}, volume = {15}, number = {9}, year = {2012}, month = {SEP}, pages = {745-752}, publisher = {ELSEVIER FRANCE-EDITIONS SCIENTIFIQUES MEDICALES ELSEVIER}, address = {23 RUE LINOIS, 75724 PARIS, FRANCE}, abstract = {

Diethylamine has been demonstrated for the first time to be a highly efficient organocatalyst in the solvent-free synthesis of beta-phosphonomalononitriles by a three component condensation of aldehyde, malononitrile and dialkyl phosphite at ambient temperature. The applicability of the same catalyst in the synthesis of diethyl (2-amino-3-cyano-chromene-4-yl) phosphonic acid esters has also been described. (c) 2012 Published by Elsevier Masson SAS on behalf of Academie des sciences.

}, keywords = {2-amino-4H-chromenes, beta-phosphonomalononitriles, diethylamine, multicomponent reactions, organocatalyst, Phospha-Michael reaction}, issn = {1631-0748}, doi = {10.1016/j.crci.2012.07.001}, author = {Kulkarni, M. A. and Pandurangi, V. R. and Desai, Uday V. and Wadgaonkar, P. P.} } @article { ISI:000300339800033, title = {Practical syntheses of proposed and revised manzacidin B and their congeners}, journal = {Organic Letters}, volume = {14}, number = {4}, year = {2012}, month = {FEB}, pages = {1082-1085}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A concise and highly stereoselective total synthesis of manzacidin B and its congeners has been developed following chelation-controlled syn-epoxidation and Lewis acid catalyzed intramolecular regioselective epoxide ring opening to generate the quarternary amine center. Elaboration of the triol moiety to the target molecule was achieved in good overall yield, representing practical total syntheses of manzacidin B and its congeners. From the XRD, NMR, and analytical data, the correct structure of natural manzacidin B, (4R,5R,6R)-6, was confirmed.

}, issn = {1523-7060}, doi = {10.1021/ol203466m}, author = {Sankar, Kuppusamy and Rahman, Hasibur and Das, Pragna P. and Bhimireddy, Eswar and Sridhar, B. and Mohapatra, Debendra K.} } @article { ISI:000308099200029, title = {Preparative separation of alpha- and beta-santalenes and (Z)-alpha- and (Z)-beta-santalols using silver nitrate-impregnated silica gel medium pressure liquid chromatography and analysis of sandalwood oil}, journal = {Analyst}, volume = {137}, number = {19}, year = {2012}, month = {MAY}, pages = {4564-4570}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

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

}, issn = {0003-2654}, doi = {10.1039/c2an35575b}, author = {Daramwar, Pankaj P. and Srivastava, Prabhakar Lal and Priyadarshini, Balaraman and Thulasiram, Hirekodathakallu V.} } @article { ISI:000300202400005, title = {Purification and characterization of YxeI, a penicillin acylase from Bacillus subtilis}, journal = {International Journal of Biological Macromolecules}, volume = {50}, number = {1}, year = {2012}, month = {JAN}, pages = {25-30}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The paper reports the purification and characterization of the first penicillin acylase from Bacillus subtilis. YxeI, the protein annotated as hypothetical, coded by the gene yxeI in the open reading frame between iol and hut operons in B. subtilis was cloned and expressed in Eshcherichia coli, purified and characterized. The purified protein showed measurable penicillin acylase activity with penicillin V. The enzyme was a homotetramer of 148 kDa. The apparent Km of the enzyme for penicillin V and the synthetic substrate 2-nitro-5-(phenoxyacetamido)-benzoic acid was 40 mM and 0.63 mM, respectively, and the association constants were 8.93 x 10(2) M-1 and 2.51 x 10(5) M-1, respectively. It was inhibited by cephalosporins and conjugated bile salts, substrates of the closely related bile acid hydrolases. It had good sequence homology with other penicillin V acylases and conjugated bile acid hydrolases, members of the Ntn hydrolase family. The N-terminal nucleophile was a cysteine which is revealed by a simple removal of N-formyl-methionine. The activity of the protein was affected by high temperature, acidic pH and the presence of the denaturant guanidine hydrochloride. (C) 2011 Elsevier B.V. All rights reserved.

}, keywords = {Bacillus subtilis, Conjugated bile acid hydrolases, Ntn hydrolase, Penicillin acylase}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2011.09.018}, author = {Rathinaswamy, Priya and Gaikwad, Sushama M. and Suresh, C. G. and Prabhune, Asmita and Brannigan, James A. and Dodson, Guy G. and Pundle, Archana V.} } @article { ISI:000302639600011, title = {Quantum dot bio-conjugate: as a western blot probe for highly sensitive detection of cellular proteins}, journal = {Journal of Nanoparticle Research}, volume = {14}, number = {3}, year = {2012}, month = {MAR}, pages = {732}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

In the present study, we report a quantum dot (QD)-tailored western blot analysis for a sensitive, rapid and flexible detection of the nuclear and cytoplasmic proteins. Highly luminescent CdTe and (CdTe) ZnS QDs are synthesized by aqueous method. High resolution transmission electron microscopy, Raman spectroscopy, fourier transform infrared spectroscopy, fluorescence spectroscopy and X-ray diffraction are used to characterize the properties of the quantum dots. The QDs are functionalized with antibodies of prostate apoptosis response-4 (Par-4), poly(ADP-ribose) polymerases and beta actin to specifically bind with the proteins localized in the nucleus and cytoplasm of the cells, respectively. The QD-conjugated antibodies are used to overcome the limitations of conventional western blot technique. The sensitivity and rapidity of protein detection in QD-based approach is very high, with detection limits up to 10 pg of protein. In addition, these labels provide the capability of enhanced identification and localization of marker proteins in intact cells by confocal laser scanning microscopy.

}, keywords = {Detection, Imaging, nanomedicine, quantum dot, Rapid, sensors, Western blot}, issn = {1388-0764}, doi = {10.1007/s11051-012-0732-9}, author = {Kale, Sonia and Kale, Anup and Gholap, Haribhau and Rana, Abhimanyu and Desai, Rama and Banpurkar, Arun G. and Ogale, Satishchandra and Shastry, Padma} } @article {42511, title = {Rare example of TICT based optical responses for the specific recognition of Cr3+ by a 2,2?:6?,2?-terpyridine derivative and demonstration of multiple logic operations}, journal = {Journal of Physical Chemistry C}, volume = {116}, year = {2012}, month = {JUL}, pages = {17448{\textendash}17457}, abstract = {

Chemosensor L showed a nonlinear fluorescence response on specific binding to Cr3+ ion in the presence of various alkali, alkaline-earth, transition, and lanthanide metal ions. A luminescence band with maxima at 512 nm for L was observed (λext = 330 nm) for a twisted intramolecular charge transfer (TICT) transition following antienergy gap law behavior. However, normal energy gap law behavior prevailed on formation of a new nonluminescent charge transfer complex, Mn+{\textperiodcentered}L. For paramagnetic metal ions, paramagnetism induced luminescence quenching could have also contributed to this. A new switched on fluorescence response at λems of 356 nm (λext of 330 nm) was observed due to Franck{\textendash}Condon charge transfer (FC-CT) transition only on the formation of a complex, (Cr3+)2{\textperiodcentered}L. Spectral studies revealed a unique dynamic coordination behavior and migration of Cr3+ from the terpyridyl fragment to the NNMe2 center of L as a function of the varying concentration of another ion (Zn2+) and the subtle difference in the binding affinities of the terpyridyl moiety toward Cr3+ and Zn2+. Further, spectral responses of L toward Zn2+, different concentration of Cr3+, H+ and on subsequent addition of F{\textendash} as different ionic inputs could be correlated well for demonstrating various basic and combinatorial circuits.

}, doi = {10.1021/jp305780y}, author = {Mahato, Prasenjit and Saha, Sukdeb and Das, Amitava} } @article {42504, title = {Ratiometric detection of Cr3+ and Hg2+ by a naphthalimide-rhodamine based fluorescent probe}, journal = {Inorganic Chemistry}, volume = {51}, year = {2012}, month = {JAN}, pages = {1769{\textendash}1777}, abstract = {

Newly synthesized rhodamine derivatives, L1 and L2, are found to bind specifically to Hg2+ or Cr3+ in presence of large excess of other competing ions with associated changes in their optical and fluorescence spectral behavior. These spectral changes are significant enough in the visible region of the spectrum and thus, allow the visual detection. For L1, the detection limit is even lower than the permissible [Cr3+] or [Hg2+] in drinking water as per standard U.S. EPA norms; while the receptor, L2 could be used as a ratiometric sensor for detection of Cr3+ and Hg2+ based on the resonance energy transfer (RET) process involving the donor naphthalimide and the acceptor Cr3+/Hg2+-bound xanthene fragment. Studies reveal that these two reagents could be used for recognition and sensing of Hg2+/Cr3+. Further, confocal laser microscopic studies confirmed that the reagent L2 could also be used as an imaging probe for detection of uptake of these ions in A431 cells.

}, doi = {10.1021/ic202073q}, author = {Mahato, Prasenjit and Saha, Sukdeb and Suresh, E. and Liddo, Rosa Di and Parnigotto, Pier Paolo and Conconi, Maria Teresa and Kesharwani, Manoj K. and Ganguly, Bishwajit and Das, Amitava} } @article {42501, title = {Recognition of Hg 2+ and Cr 3+ in physiological conditions by a rhodamine derivative and its application as a reagent for cell-imaging studies}, journal = {Inorganic Chemistry}, volume = {51}, year = {2012}, month = {DEC}, pages = {336{\textendash}345}, abstract = {

A new rhodamine-based receptor, derivatized with an additional fluorophore (quinoline), was synthesized for selective recognition of Hg2+ and Cr3+ in an acetonitrile/HEPES buffer medium of pH 7.3. This reagent could be used as a dual probe and allowed detection of these two ions by monitoring changes in absorption and the fluorescence spectral pattern. In both instances, the extent of the changes was significant enough to allow visual detection. More importantly, the receptor molecule could be used as an imaging reagent for detection of Hg2+ and Cr3+ uptake in live human cancer cells (MCF7) using laser confocal microscopic studies. Unlike Hg(ClO4)2 or Hg(NO3)2 salts, HgCl2 or HgI2 failed to induce any visually detectable change in color or fluorescence upon interaction with L1 under identical experimental conditions. Presumably, the higher covalent nature of HgII in HgCl2 or HgI2 accounts for its lower acidity and its inability to open up the spirolactam ring of the reagent L1. The issue has been addressed on the basis of the single-crystal X-ray structures of L1{\textperiodcentered}HgX2 (X{\textendash} = Cl{\textendash} or I{\textendash}) and results from other spectral studies.

}, doi = {10.1021/ic2017243}, author = {Saha, Sukdeb and Mahato, Prasenjit and Reddy, Upendar G. and Suresh, E. and Chakrabarty, Arindam and Baidya, Mithu and Ghosh, Sudip K. and Das, Amitava} } @article {42500, title = {Recognition of Hg2+ion through restricted imine isomerization: crystallographic evidence and imaging in live cells}, journal = {Organic Letters}, volume = {14}, year = {2012}, month = {JUN}, pages = {2980{\textendash}2983}, abstract = {

A newly synthesized imine-based receptor (L) showed remarkable specificity toward the Hg2+ ion in aqueous media over other metal ions. Coordination of L to Hg2+ induces a turn-on fluorescence response. This was explained based on the restricted imine isomerization along with PET on coordination to Hg2+. X-ray structural evidence tends to favor a C{\textendash}C bond rotation rather than C=N isomerization for adopting a favorable conformation in L for coordination to Hg2+. This reagent could be used for imaging the accumulation of Hg2+ ions in HeLa cells.

}, doi = {10.1021/ol3009733}, author = {Mandal, Amal Kumar and Suresh, Moorthy and Das, Priyadip and Suresh, E. and Baidya, Mithu and Ghosh, Sudip K. and Das, Amitava} } @article {42509, title = {Restricted conformational flexibility of a triphenylamine derivative on the formation of host-guest complexes with various macrocyclic hosts}, journal = {Chemistry a European Journal}, volume = {18}, year = {2012}, month = {MAR}, pages = {3906{\textendash}3917}, abstract = {

Herein, we report the host{\textendash}guest-type complex formation between the host molecules cucurbit[7]uril (CB[7]), β-cyclodextrin (β-CD), and dibenzo[24]crown-8 ether (DB24C8) and a newly synthesized triphenylamine (TPA) derivative 1X3 as the guest component. The host{\textendash}guest complex formation was studied in detail by using 1H NMR, 2D NOESY, UV/Vis fluorescence, and time-resolved emission spectroscopy. The chloride salt of the TPA derivative was used for recognition studies with CB[7] and β-CD in an aqueous medium. The restricted internal rotation of the guest molecule on complex formation with either of these two host molecules was reflected in the enhancement of the emission quantum yield and the average excited-state lifetime for the triphenylamine-based excited states. Studies with DB24C8 as the host molecule were performed in dichloromethane, a medium that maximizes the noncovalent interaction between the host and guest fragments. The F{\"o}rster resonance energy transfer (FRET) process involving DB24C8 and 1(PF6)3, as the donor and acceptor fragments, respectively, was established by electrochemical, steady-state emission, and time-correlated single-photon counting studies.

}, doi = {10.1002/chem.201103079}, author = {Mandal, Amal Kumar and Suresh, Moorthy and Das, Priyadip and Das, Amitava} } @article {43314, title = {Reversible assembly and disassembly of micelles by a polymer that switches betweenhydrophilic and hydrophobic wettings}, journal = {Langmuir}, volume = {28}, year = {2012}, month = {JUN}, pages = {10097-10104}, abstract = {Supramolecular complexes involving nanoscopic amphiphilic assemblies (AAs) and polyelectrolytes have been used to prepare a variety of materials, wherein the dynamic AAs retain the structural features, but the polyelectrolytes undergo conformational changes. Here we show that a charge bearing rigid conjugated polymer can alter the structural features and disassemble AAs. We also demonstrate reversible assembly and disassembly of AAs by controlling the number of charges on the rigid polymer. During the disassembly, the guest molecules sequestered in the AAs are released. The rate of release has been modulated by changing the morphology of the charge bearing polymer. Concomitant to the AAs disassembly, the polymer surface becomes hydrophobic due to the binding of the amphiphiles on the charges of the polymer backbone. By controlling the charges on the polymer, the surface wettability was varied gradually from hydrophilic to hydrophobic.}, doi = {10.1021/la301760a}, author = {Dutta, Kingshuk and Mahale, Rajashree Y. and Arulkashmir, Arulraj and Krishnamoorthy, Kothandam} } @article { ISI:000297559200027, title = {Reversible phase transformation in proton conducting strandberg-type POM based metal organic material}, journal = {Chemical Communications}, volume = {48}, number = {2}, year = {2012}, month = {NOV}, pages = {266-268}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A Cu(II)-phenanthroline connected Strandberg-type polyoxometalate based proton conducting MOF, Cu3Mo5P2, that contains one dimensional parallel water channels has been reported. Cu3Mo5P2 shows proton conduction at room temperature as well as elevated temperature.

}, issn = {1359-7345}, doi = {10.1039/c1cc15162b}, author = {Dey, Chandan and Kundu, Tanay and Banerjee, Rahul} } @article {42503, title = {Rhodamine-alginate conjugate as self-indicating gel beads for efficient detection and scavenging of Hg 2+ and Cr 3+ in aqueous media}, journal = {Chemical Communications}, volume = {48}, year = {2012}, month = {NOV}, pages = {1659-1661}, abstract = {

Effective extraction of Hg2+ and Cr3+ ions from aqueous media by novel rhodamine{\textendash}alginate polymer-based highly fluorogenic, as well as colorimetric, chemosensor beads.

}, doi = {10.1039/C1CC16554B}, author = {Saha, Sukdeb and Chhatbar, Mahesh U. and Mahato, Prasenjit and Praveen, L. and Siddhanta, A. K. and Das, Amitava} } @article { ISI:000307748700004, title = {Scandium-decorated MOF-5 as potential candidates for room-temperature hydrogen storage: a solution for the clustering problem in MOFs}, journal = {Journal of Physical Chemistry C}, volume = {116}, number = {33}, year = {2012}, month = {AUG}, pages = {17336-17342}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Transition-metal-based systems show promising binding energy for hydrogen storage but suffer from clustering problem. The effect of light transition metal (M = Sc, Ti) decoration, boron substitution on the hydrogen storage properties of MOF-5, and clustering problem of metals has been investigated using ab initio density, functional theory. Our results of solid-tate calculations reveal that whereas Ti clusters strongly Sc atoms do not suffer from this problem when decorating MOF-5. Boron substitution on metal-decorated MOF-5 enhances the interaction energy of both the metals with MOF-5. Sc-decorated MOF-5 shows a hydrogen storage capacity of 5.81 wt \% with calculated binding energies of 20-40 kJ/mol, which ensures the room-teniperature applicability of this hydrogen storage material.

}, issn = {1932-7447}, doi = {10.1021/jp302852h}, author = {Dixit, Mudit and Maark, Tuhina Adit and Ghatak, Kamalika and Ahuja, Rajiv and Pal, Sourav} } @article { ISI:000310744400011, title = {Selective oxidation of nonrefractory and refractory sulfides by cyclopentadienyl molybdenum acetylide complexes as efficient catalysts}, journal = {Catalysis Letters}, volume = {142}, number = {11}, year = {2012}, month = {NOV}, pages = {1352-1360}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

{The synthesis and catalytic properties of molybdenum acetylide complexes CpMo(CO)(3)(-C CR)

}, keywords = {Homogeneous catalysis, Molybdenum acetylide, Oxo-peroxo species, Refractory sulfide oxidation}, issn = {1011-372X}, doi = {10.1007/s10562-012-0898-x}, author = {Chandgude, Macchindra G. and Biradar, Ankush V. and Kotbagi, Trupti V. and Puranik, Vedavati G. and Dongare, Mohan K. and Shubhangi B. Umbarkar} } @article { ISI:000301955900026, title = {Selective recognition of fluoride and acetate by a newly designed ruthenium framework: experimental and theoretical investigations}, journal = {Dalton Transactions}, volume = {41}, number = {15}, year = {2012}, month = {FEB}, pages = {4484-4496}, type = {Article}, abstract = {

{An effective anion sensor, [Ru-II(bpy)(2)(H2L-)](+) (1(+)), based on a redox and photoactive {Ru-II(bpy)(2)} moiety and a new ligand (H3L = 5-(1H-benzo[d]imidazol-2-yl)-1H-imidazole-4-carboxylic acid), has been developed for selective recognition of fluoride (F-) and acetate (OAc-) ions. Crystal structures of the free ligand, H3L and [1](ClO4) reveal the existence of strong intramolecular and intermolecular hydrogen bonding interactions. The structure of [1](ClO4) shows that the benzimidazole N-H of H2L- is hydrogen bonded with the pendant carboxylate oxygen while the imidazole N-H remains free for possible hydrogen bonding interaction with the anions. The potential anion sensing features of 1(+) have been studied by different experimental and theoretical (DFT) investigations using a wide variety of anions, such as F-, Cl-, Br-, I-, HSO4-, H2PO4-, OAc- and SCN-. Cyclic voltammetry and differential pulse voltammetry established that 1(+) is an excellent electrochemical sensor for the selective recognition kof F- and OAc- anions. 1(+) is also found to be a selective colorimetric sensor for F- or OAc- anions where the MLCT band of the receptor at 498 nm is red shifted to 538 nm in the presence of one equivalent of F- or OAc- with a distinct change in colour from reddish-orange to pink. The binding constant between 1(+) and F- or OAc- has been determined to be logK = 7.61 or 7.88, respectively, based on spectrophotometric titration in CH3CN. The quenching of the emission band of 1(+) at 716 nm (lambda(ex) = 440 nm

}, doi = {10.1039/c2dt12126c}, author = {Kundu, Tanaya and Chowdhury, Abhishek Dutta and De, Dipanwita and Mobin, Shaikh M. and Puranik, Vedavati G. and Datta, Anindya and Lahiri, Goutam Kumar} } @article {42510, title = {Sequential energy and electron transfer in polynuclear complex sensitized TiO2 nanoparticles}, journal = {Journal of Physical Chemistry Letters}, volume = {3}, year = {2012}, month = {MAY}, pages = {1543{\textendash}1548}, abstract = {

Polynuclear{\textendash}polypyridyl complexes exhibit a directional energy-transfer property that can improve their photosensitization activity. In the present work, the energy-transfer process is explored in a trinuclear Ru2∧Os1 complex using transient absorption spectroscopy. This study reveals an efficient excitation energy transfer from the terminal (RuII complex) to the core (OsII complex) region in the ultrafast time domain (400 fs{\textendash}40 ps). The excitation energy funnel is useful in improving the functionalized core activity. This is evidenced in an interfacial electron-transfer study of Ru2∧Os1, Ru2∧Ru1, and Os1 complex sensitized TiO2 nanoparticle (TiO2 NP) systems. The intramolecular energy transfer causes sequential excitation of the core part of the Ru2∧Os1 complex, which leads to multiexponential electron injection into TiO2 NP. Besides this, the electronic coupling between the metal ion centers stabilizes the positive charge within the trinuclear complex, which results in a slow charge recombination reaction. This study shows that polynuclear complexes can be very useful for their panchromatic effects, unidirectional energy- and electron-transfer properties.

}, doi = {10.1021/jz3005305}, author = {Verma, Sandeep and Kar, Prasenjit and Banerjee, Tanmay and Das, Amitava and Ghosh, Hirendra N.} } @article { ISI:000309462100003, title = {SHI irradiation induced effects in functionalized MWCNTs}, journal = {Radiation Effects and Defects in Solids}, volume = {167}, number = {8, SI}, year = {2012}, month = {FEB}, pages = {569-576}, publisher = {TAYLOR \& FRANCIS LTD}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {

Multi-walled carbon nanotubes (MWCNTs) have attracted extensive attention globally due to their applications in modern nanotechnology. It is very important to study the effects on these MWCNTs under swift heavy ion (SHI) irradiation since ion irradiation has been recognized as one of the best tools for nanostructuring of materials, in general. Here, we present the effects of 80MeV Ni ions with a fluence ranging from 3 x 10(12) to 3 x 10(13) ions/cm(2) on functionalized MWCNT mats. The properties of pristine and irradiated samples were studied using X-ray diffraction, Raman spectroscopy and transmission electron microscopy. The effects of SHI irradiation on these samples are discussed in detail.

}, keywords = {CNT, Raman, SHI, TEM}, issn = {1042-0150}, doi = {10.1080/10420150.2012.660939}, author = {Saikiran, V. and Pathak, A. P. and Rao, N. Srinivasa and Devaraju, G. and Debgupta, Joyashish and Kyriakou, I. and Emfietzoglou, D.} } @article { ISI:000298726300004, title = {Solid phase morphological diversity of a rare vanadium cubane (V4O16) based metal organic framework}, journal = {Crystal Growth \& Design}, volume = {12}, number = {1}, year = {2012}, month = {JAN}, pages = {12-17}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A Cu(II) connected V4O16-cubane based metal organic framework, Cu-2(phen)(2)(V4O8) (PO4)(4) [Cu2V4O16-2D] was synthesized under hydrothermal conditions. This is the first example of transition metal connected V4O16-cubane based MOF. X-ray single crystal data shows the alternate arrangement V4O16-cubane and Cu(phen)(O)(3) square pyramidal unit in two dimensions. These two-dimensional sheets are stacked on top of each other to form a three-dimensional architecture. Cu2V4O16-2D shows two types of solid state morphologies of the same phase, which was confirmed by scanning electron microscopy. It is noteworthy that this type of morphological difference of the solid phase in an extended metal organic hybrid material is rare and has not been perceived in the polyoxovanadate based MOFs literature. Cu2V4O16-2D was further characterized by powder X-ray diffraction (PXRD), thermal gravimetric analysis (TGA), IR-spectroscopy, scanning electron microscopy (SEM), and elemental analysis. We also studied the static magnetic and gas adsorption properties for Cu2V4O16-2D.

}, issn = {1528-7483}, doi = {10.1021/cg201030u}, author = {Dey, Chandan and Das, Raja and Poddar, Pankaj and Banerjee, Rahul} } @article {42575, title = {Solution-processed inorganic bulk nano-heterojunctions and their application to solar cells}, journal = {Nature Photonics}, volume = {6}, year = {2012}, month = {JUL}, pages = {529{\textendash}534}, abstract = {

In the last decade, solution-processed quantum dot/nanocrystal solar cells have emerged as a very promising technology for third-generation thin-film photovoltaics because of their low cost and high energy-harnessing potential. Quantum dot solar cell architectures developed to date have relied on the use of bulk-like thin films of colloidal quantum dots. Here, we introduce the bulk nano-heterojunction concept for inorganic solution-processed semiconductors. This platform can be readily implemented by mixing different semiconductor nanocrystals in solution and allows for the development of optoelectronic nanocomposite materials with tailored optoelectronic properties. We present bulk nano-heterojunction solar cells based on n-type Bi2S3 nanocrystals and p-type PbS quantum dots, which demonstrate a more than a threefold improvement in device performance compared to their bilayer analogue, as a result of suppressed recombination.

}, doi = {10.1038/nphoton.2012.139}, author = {Rath, Arup Kumar and Bernechea, Maria and Martinez, Luis and Pelayo Garcia de Arquer, F. and Osmond, Johann and Konstantatos, Gerasimos} } @article { ISI:000302535600002, title = {Solvent-free one-pot synthesis of sulfonephthaleins from saccharin and phenols}, journal = {Synthetic Communications}, volume = {42}, number = {8}, year = {2012}, month = {OCT}, pages = {1101-1107}, publisher = {TAYLOR \& FRANCIS INC}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {

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

}, keywords = {H2SO4, Phenols, saccharin, sulfonephthalein}, issn = {0039-7911}, doi = {10.1080/00397911.2010.535946}, author = {Tillu, V. H. and Dumbre, Deepa K. and Borate, Hanumant B. and Wakharkar, R. D. and Choudhary, Vasant R.} } @article { ISI:000308345800010, title = {Solvent-free oxidation of aldehydes to acids by TBHP using environmental-friendly -exchanged Mg-Al hydrotalcite catalyst}, journal = {Journal of Chemical Sciences}, volume = {124}, number = {4}, year = {2012}, month = {JUL}, pages = {835-839}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

A number of hydrotalcite (Mg-Al, Mn-Al, Co-Al, Ni-Al, Mg-Fe, Mg-Cr and Cu-Al) catalysts, with or without MnO-exchange, were evaluated for their performance in the solvent-free oxidation of benzaldehyde to benzoic acid by tert-butyl hydroperoxide under reflux in the absence of any solvent. The MnO-exchanged Mg-Al-hydrotalcite (Mg/Al = 10) showed high activity in the oxidation of different aromatic and aliphatic aldehydes to their corresponding acids and also showed excellent reusability in the oxidation process which is environmental-friendly.

}, keywords = {acid, Aldehyde, MnO4-1-exchanged Mg-Al-hydrotalcite catalyst, Oxidation, TBHP}, issn = {0974-3626}, doi = {10.1007/s12039-012-0268-7}, author = {Choudhary, Vasant R. and Dumbre, Deepa K. and Narkhede, Vijay S.} } @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:000298827600079, title = {Sonogashira coupling reactions of bromomaleimides: route to alkyne/cis-Alkene/Alkyl maleimides: synthesis of luffarin X and cacospongionolide C}, journal = {Journal of Organic Chemistry}, volume = {77}, number = {1}, year = {2012}, month = {JAN}, pages = {739-746}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Palladium-catalyzed Sonogashira coupling reaction of bromomaleimides with a diverse range of terminal alkynes has been demonstrated to furnish the corresponding alkynylmaleimides in very good yields. This coupling reaction followed by selective reduction of the triple bond to single bond have been utilized as the decisive steps to accomplish the first total synthesis of natural products (+/-)-luffarin X and (+/-)-cacospongionolide C.

}, issn = {0022-3263}, doi = {10.1021/jo2021218}, author = {Deore, Prashant S. and N. P. Argade} } @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:000311858600006, title = {Supramolecular synthon transferability and gelation by diprimary ammonium monocarboxylate salts}, journal = {Crystal Growth \& Design}, volume = {12}, number = {12}, year = {2012}, month = {DEC}, pages = {5864-5868}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Earlier studies revealed that primary ammonium dicarboxylate (PAD) salts possessed gelling ability, and many such salts displayed a 1D columnar hydrogen bonded network (observed in primary ammonium monocarboxylate (PAM) salts) on either side of the dicarboxylate end of the anion. In the present study, a new series of diprimary ammonium monocarboxyate (DPAM) salts have been prepared with the aim of achieving supramolecular synthon transferability (the same 1D columnar hydrogen PAM bonded network on either side of the diammonium cation) in these salts. Single crystal X-ray diffraction studies revealed that, in 47\% of the DPAM salts, such supramolecular synthon transferability indeed took place. Some of the DPAM salts also showed gelation ability. The gels were characterized by DSC, rheology, electron microscopy, and atomic force microscopy. Structure property correlation using single crystal and powder X-ray diffraction data on a selected gel was also attempted.

}, issn = {1528-7483}, doi = {10.1021/cg301242p}, author = {Das, Uttam Kumar and Puranik, Vedavati G. and Dastidar, Parthasarathi} } @article { ISI:000301098700068, title = {Syntheses, crystal structures, and magnetic properties of metal-organic hybrid materials of Co(II) using flexible and rigid nitrogen-based ditopic ligands as spacers}, journal = {Crystal Growth \& Design}, volume = {12}, number = {3}, year = {2012}, month = {MAR}, pages = {1571-1578}, abstract = {

{A carboxylate-based flexible ligand, 5-(4-carboxybenzyloxy)isophthalic acid (p-cbiaH(3)), readily reacts with Co(II) salts in the presence of different pyridine-based coligands such as 4-bis(4-pyridinylmethyl)piperazine (bpmp) or 1,2-di(4-pyridyl)ethylene (dpe) under hydrothermal conditions to afford two different three-dimensional (3D) coordination polymers, {[Co-4(OH)(2)(p-cbia)(2)(bpmp)-(H2O)(3)]center dot 2H(2)O}(n) (1) and {[Co-4(OH)(2)(p-cbia)(2)(dpe)(H2O)(4)]center dot 2H(2)O\

}, author = {Ahmad, Musheer and Sharma, Mamsh K. and Das, Raja and Poddar, Pankai and Bharadwaj, Parimal K.} } @article { ISI: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:000308279900043, title = {Synthesis, characterization, and magnetic studies of coordination polymers with Co(II) and Mn(II) ions}, journal = {Crystal Growth \& Design}, volume = {12}, number = {9}, year = {2012}, month = {SEP}, pages = {4624-4632}, abstract = {

{An ether bridged tricarboxylic acid ligand, 5-(4-carboxybenzyloxy)isophthalic acid (p-cbiaH(3)) has been used to construct three coordination polymers with Co(II) salts in presence of different nitrogen donor ligands such as 1,4-bis(4-pyridinylmethyl)piperazine (bpmp), dipyridine-4-yl-diazene (dpd), and 4,4{\textquoteright}-bipyridine (bpy). The products formed under hydrothermal conditions are formulated as {[Co-3(p-cbia)(2)(bpmp)(2)(H2O)(6)]center dot 10H(2)O}(n) (1), {[Co-2(p-cbiaH)(2)(dpd)(H2O)(2)]\

}, author = {Ahmad, Musheer and Das, Raja and Lama, Prem and Poddar, Pankaj and Bharadwaj, Parimal K.} } @article { ISI:000310931900030, title = {Synthesis of silk fibroin-glycopolypeptide conjugates and their recognition with lectin}, journal = {Biomacromolecules}, volume = {13}, number = {11}, year = {2012}, month = {NOV}, pages = {3695-3702}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Silk fibroin (SF), the natural fibrous protein created by the Bombyx mori silk worm, is being increasingly excellent mechanical strength, high oxygen/water permeability, excellent mechanical strength; high oxygen/water:permeability, and biocompatibility: :It is also well known that surface. modification of SF, With Organic ligands such as the extracellular protein :binding. Arg-Gly-Asp, (RGD) peptides:,: help adhesion and,proliferation. of cells better-a key; requirement for it to function as extracellular. matrices; In this, Work, We have conjugated synthetic glycopolypeptides (GPs) that were synthesized by controlled ring opening polymerization of alpha-manno-lys N-carboxyanhydrides (NCAs) onto SF by using Cu catalyzed click reaction to synthesize 1 a new hybrid :Material (SF GP), Which We believe will have :both the mechanical properties of native SF and the molecular recognition property of the carbohydrates in the GP. By controlling the :amount of GP grafted onto SF, we have made three SF GP conjugates that differ in their ability to assemble into films. SF GP conjugates having a very high content of GP formed completely water soluble brush like polymer that displayed very high affinity toward the lectin concanavalin-A (Con-A) Films cast from SF-GP conjugates using lower amounts of grafted GP were more stable in water, and the stability can be modulated by varying the amount of G grafted. The water insoluble film SF-GP(25) was also found to bind to fluorescently labeled Con A, as was seen by confocal microscopy Such SF-GP hybrid films may be useful as mimics of extracellular matrices for tissue engineering:

}, issn = {1525-7797}, doi = {10.1021/bm301170u}, author = {Das, Soumen and Pati, Debasis and Tiwari, Neha and Nisal, Anuya and Sen Gupta, Sayam} } @article {42513, title = {Taco complex derived from a bis-crown ether capable of executing molecular logic operation through reversible complexation}, journal = {Journal of Organic Chemistry}, volume = {77}, year = {2012}, month = {JUL}, pages = {6789{\textendash}6800}, abstract = {

As learned from natural systems, self-assembly and self-sorting help in interconnecting different molecular logic gates and thus achieve high-level logic functions. In this context, demonstration of important logic operations using changes in optical responses due to the formation of molecular assemblies is even more desirable for the construction of a molecular computer. Synthesis of an appropriate divalent as well as a luminescent crown ether based host 1 and paraquat derivatives, 2(PF6)2 and 3(PF6)2, as guests helped in demonstrating a reversible [3](taco complex) (1{\textperiodcentered}{2(PF6)2}2 or 1{\textperiodcentered}{3(PF6)2}2) formation in nonpolar solvent. Detailed 1H NMR studies revealed that two paraquat units were bound cooperatively by the two crown units in 1. Because of preorganization, the flexible host molecule 1 adopts a folded conformation, where each of two paraquat units remain sandwiched between the two aromatic units of each folded crown ether moiety in 1. Disassembly of the {\textquotedblleft}taco{\textquotedblright} complex in the presence of KPF6 and reassembly on subsequent addition of DB18C6 was initially demonstrated by 1H NMR spectral studies, which were subsequently corroborated through luminescence spectral studies. Further, luminescence spectral responses as output signals with appropriate and two independent molecular inputs could be correlated to demonstrate basic logic operation like OR and YES gates, while the results of the three molecular inputs could be utilized to demonstrate important logic operation like an INHIBIT gate.

}, doi = {10.1021/jo300622b}, author = {Mandal, Amal Kumar and Das, Priyadip and Mahato, Prasenjit and Acharya, Suhash and Das, Amitava} } @article { ISI:000313024300028, title = {Thermally decomposed Cu-Fe-hydrotalcite. a novel highly active catalyst for o-arylation of naphthol and phenols by aryl halides}, journal = {Catalysis Communications}, volume = {29}, year = {2012}, month = {DEC}, pages = {132-136}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A novel, efficient and environmentally benign method has been reported for the synthesis of diaryl ethers by the o-arylation of napthol or phenols with aryl halides in dimethylformamide (as a solvent) under reflux, using a novel heterogeneous catalyst (having redox properties), obtained from thermal decomposition of Cu-Fe at 600 degrees C in the absence of externally added base. The catalyst comprises Cu(II) and Fe(III) species (oxides and hydroxides), which are uniformly distributed during the catalyst formation. The catalyst can be easily separated from the reaction mixture, simply by filtration and reused several times without a significant loss of its activity. (C) 2012 Elsevier B.V. All rights reserved.

}, keywords = {Aryl halides, C-O cross coupling reaction, Cu-Fe-hydrotalcite, Naphthol, o-Arylation, Phenols}, issn = {1566-7367}, doi = {10.1016/j.catcom.2012.09.024}, author = {Choudhary, Vasant R. and Dumbre, Deepa K. and Yadav, P. N. and Bhargava, Suresh Kumar} } @article { ISI:000303304900028, title = {TiO2-Au plasmonic nanocomposite for enhanced dye-sensitized solar cell (DSSC) performance}, journal = {Solar Energy}, volume = {86}, number = {5}, year = {2012}, month = {MAY}, pages = {1428-1434}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Anatase TiO2 nanoparticles dressed with gold nanoparticles were synthesized by hydrothermal process by using mixed precursor and controlled conditions. Diffused Reflectance Spectra (DRS) reveal that in addition to the expected TiO2 interband absorption below 360 nm gold surface plasmon feature occurs near 564 nm. It is shown that the dye sensitized solar cells made using TiO2-Au plasmonic nanocomposite yield superior performance with conversion efficiency (CE) of similar to 6\% (no light harvesting), current density (J(SC)) of similar to 13.2 mA/cm(2), open circuit voltage (V-oc) of similar to 0.74 V and fill factor (FF) 0.61; considerably better than that with only TiO2 nanoparticles (CE similar to 5\%, J(SC) similar to 12.6 mA/cm(2), V-oc similar to 0.70 V, FF similar to 0.56). (C) 2012 Elsevier Ltd. All rights reserved.

}, keywords = {Anatase TiO2, Au, Dye-sensitized solar cells, Hybrid composite, hydrothermal}, issn = {0038-092X}, doi = {10.1016/j.solener.2012.02.002}, author = {Muduli, Subas and Game, Onkar S. and Dhas, Vivek V. and Vijayamohanan, K. and Bogle, Kashinath A. and Valanoor, N. and Ogale, Satishchandra B.} } @article { ISI:000307308000020, title = {Transesterification of diethyl oxalate with phenol over sol-gel MoO3/TiO2 catalysts}, journal = {Chemsuschem}, volume = {5}, number = {8}, year = {2012}, month = {JUL}, pages = {1467-1473}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

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

}, keywords = {heterogeneous catalysis, Lewis acids, Oxidation, sol-gel processes, transesterification}, issn = {1864-5631}, doi = {10.1002/cssc.201100802}, author = {Kotbagi, Trupti and Duy Luan Nguyen and Lancelot, Christine and Lamonier, Carole and Thavornprasert, Kaew-Arpha and Zhu Wenli and Capron, Mickael and Jalowiecki-Duhamel, Louise and Shubhangi B. Umbarkar and Dongare, Mohan K. and Dumeignil, Franck} } @article { ISI:000305379000012, title = {Transformation of (+/-)-lavandulol and (+/-)-tetrahydrolavandulol by a fungal strain Rhizopus oryzae}, journal = {Bioresource Technology}, volume = {115}, year = {2012}, month = {JUL}, pages = {70-74}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Biotransformation of an irregular monoterpene alcohol, (+/-)-lavandulol [(+/-)-5-methyl-2-(1-methylethenyl)-4-hexen-1-ol] (I) and its tetrahydro derivative, (+/-)-tetrahydrolavandulol [(+/-)-2-isopropyl-5-methylhexan-1-ol] (II) were studied using a soil isolated fungal strain Rhizopus oryzae. Five metabolites, 2-((3,3-dimethyloxiran-2-yl)methyl)-3-methylbut-3-en-1-ol (Ia), 2-methyl-5-(prop-1-en-2-yl)hex-2ene-1,6-diol (Ib), 2-methyl-5-(prop-1-en-2-yl)hexane-1,6-diol (Ic), 2-(3-methylbut-2-enyl)-3-methylenebutane-1,4-diol (Id), 5-methyl-2-(2-methyloxiran-2-yl)hex-4-en-1-01 (Ie) have been isolated from the fermentation medium and characterized with lavandulol as a substrate. When tetrahydrolavandulol used as a substrate, two metabolites 2-isopropyl-5-methylhexane-1,5-diol (IIa) and 2-isopentyl-3-methylbutane-1,3-diol (lib) have been isolated from the fermentation medium. Biotransformation studies with R. oryzae clearly indicate that the organism initiates the transformation either by hydroxylation at allylic methyl groups or epoxidation of double bond. GC and GCMS analyses indicated that both (R)and (S)-enantiomers of I and II have been transformed into corresponding hydroxylated or epoxy derivatives, when racemic I and II were used as substrates. (C) 2011 Elsevier Ltd. All rights reserved.

}, keywords = {Biotransformation, Fungus, Lavandulol, Rhizopus oryzae, Tetrahydrolavandulol}, issn = {0960-8524}, doi = {10.1016/j.biortech.2011.11.038}, author = {Daramwar, Pankaj P. and Rincy, Raju and Niloferjahan, Siddiqui and Krithika, Ramakrishnan and Gulati, Arvind and Yadav, Amit and Sharma, Rakesh and Thulasiram, Hirekodathakallu V.} } @article { ISI:000302336700011, title = {Tuning the performance of low-Pt polymer electrolyte membrane fuel cell electrodes derived from Fe2O3@Pt/C core-shell catalyst prepared by an in situ anchoring strategy}, journal = {Journal of Physical Chemistry C}, volume = {116}, number = {13}, year = {2012}, month = {APR}, pages = {7318-7326}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A low-Pt electrode with high performance and durability characteristic has been realized for polymer electrolyte membrane fuel cell applications from a carbon-supported Fe2O3@Pt core-shell catalyst prepared by a process involving in situ surface modification-cum-anchoring strategy. The process is based on an in-house-developed methodology for generating and interlocking the core-shell nanoparticles on the surface of the carbon substrate, which undergoes functionalization in the reaction medium itself by the intervention of the reducing agent employed in the reaction. Ascorbic acid, which was used as the reducing agent in the process, played a crucial role by making use of its multifunctional activities as reducing agent, stabilizing agent, as well as capping agent in addition to its efficiency in functionalizing the carbon surface during the course of the reaction. The formation of core-shell nanostructures could be confirmed by XRD, HR-TEM, and cyclic voltammetric analysis. The oxygen reduction property and the performance during the single cell evaluations were found to be strongly influenced by the thickness of the catalyst layer owing to the ohmic contribution from the higher mass fraction of the less conductive Fe2O3 core. However, when the thickness of the catalyst layer was kept within the threshold level, Fe2O3@Pt catalyst clearly outperforms the commercial Pt/C catalyst. This benefit of the core-shell catalyst enabled it to display a maximum power density of 900 mW/cm(2) with a significantly low cathode Pt loading of 0.05 mg/cm(2). An accelerated durability assessment of the membrane electrode assembly for 10 h gave consistent performance characteristics. The study gave convincing evidence on the feasibility of using the electrodes derived from the core-shell catalyst prepared by the in situ anchoring strategy for developing cost competitive systems and miniature cells for niche applications.

}, issn = {1932-7447}, doi = {10.1021/jp300628j}, author = {Dhavale, Vishal M. and Kurungot, Sreekumar} } @article { ISI:000299584800014, title = {Ultrasmall gold cluster arrays encapsulated in silica nanospheres: applications in fluorescence imaging and catalysis}, journal = {Journal of Physical Chemistry C}, volume = {116}, number = {2}, year = {2012}, month = {JAN}, pages = {1748-1754}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Facile synthesis of ultrasmall gold nanoclusters of size \<2 nm dispersible in water using a novel quaternary ammonium ligand is reported. Further, arrays of these nanoclusters are encapsulated in monodisperse silica nanospheres of size 25-30 nm. The photophysical characteristics of the clusters are found to be intact upon encapsulation, rendering the resulting composite material ideal for fluorescence imaging applications. We have further shown the utilization of these materials in catalysis as precursors for Au nanopartides encapsulated in porous silica.

}, issn = {1932-7447}, doi = {10.1021/jp2093737}, author = {Samanta, Anupam and Dhar, Basab B. and Devi, R. Nandini} } @article { ISI:000300466900006, title = {Understanding the growth of micro and nano-crystalline AlN by thermal plasma process}, journal = {Journal of Crystal Growth}, volume = {339}, number = {1}, year = {2012}, month = {JAN}, pages = {36-45}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

We report the studies related to the growth of crystalline AlN in a DC thermal plasma reactor, operated by a transferred arc plasma torch. The reactor is capable of producing the nanoparticles of Al and AlN depending on the composition of the reacting gas. Al and AlN micro crystals are formed at the anode placed on the graphite and nano crystalline Al and AlN gets deposited on the inner surface of the plasma reactor. X-ray diffraction, Raman spectroscopy analysis, single crystal X-ray diffraction and TGA-DTA techniques are used to infer the purity of post process crystals as a hexagonal AlN. The average particle size using SEM was found to be around 30 mu m. The morphology of nanoparticles of Al and AlN, nucleated by gas phase condensation in a homogeneous medium were studied by transmission electron microscopy analysis. The particle ranged in size between 15 and 80 nm in diameter. The possible growth mechanism of crystalline AlN at the anode has been explained on the basis of non-equilibrium processes in the core of the plasma and steep temperature gradient near its periphery. The gas phase species of AlN and various constituent were computed using Murphy code based on minimization of free energy. The process provides 50\% yield of microcrystalline AlN and remaining of Al at anode and that of nanocrystalline h-AlN and c-Al collected from the walls of the chamber is about 33\% and 67\%, respectively. (C) 2011 Elsevier B.V. All rights reserved.

}, keywords = {Crystal morphology, Growth from high temperature solutions, Nitride, Semiconducting aluminum compound}, issn = {0022-0248}, doi = {10.1016/j.jcrysgro.2011.11.011}, author = {Kanhe, Nilesh S. and Nawale, Ashok B. and Gawade, Rupesh L. and Puranik, Vedavati G. and Bhoraskar, S. V. and Das, Asoka K. and Mathe, Vikas L.} } @article { ISI:000308414500020, title = {Unusual conformational similarity of two peptide folds featuring sulfonamide and carboxamide on the backbone}, journal = {Chemical Communications}, volume = {48}, number = {78}, year = {2012}, month = {AUG}, pages = {9747-9749}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Two folded peptides featuring carboxamide and sulfonamide at the core of the peptide fold have been shown to possess almost similar conformational features, despite the well-known fact that carboxamides and sulfonamides have strikingly different hydrogen-bonding and geometrical preferences.

}, issn = {1359-7345}, doi = {10.1039/c2cc34533a}, author = {Vijayadas, Kuruppanthara N. and Davis, Hilda C. and Kotmale, Amol S. and Gawade, Rupesh L. and Puranik, Vedavati G. and Rajamohanan, Pattuparambil R. and Sanjayan, Gangadhar J.} } @article { ISI:000310721400015, title = {Vertical arrays of SiNWs-ZnO nanostructures as high performance electron field emitters}, journal = {Journal of Materials Chemistry}, volume = {22}, number = {43}, year = {2012}, month = {NOV}, pages = {22922-22928}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Multicomponent hybrid materials of nanostructured building blocks are essential for the development of complex devices and advanced applications due to their role as either functional or interconnecting elements. This study introduces a simple and cost effective strategy for the synthesis of vertical arrays of silicon nanowires and ZnO nanostructures (nanorod and multipod structures). Formation of vertical nanostructured arrays is confirmed by SEM and HRTEM imaging as well as XRD and Raman measurements. We have investigated field emission properties of the as-synthesized vertical nanostructured arrays. Our results show that these SiNWs-ZnO nanostructures are highly efficient and stable field emitters.

}, issn = {0959-9428}, doi = {10.1039/c2jm34224c}, author = {Devarapalli, Rami Reddy and Shinde, Deodatta R. and Barka-Bouaifel, Fatiha and Yenchalwar, Sandeep G. and Boukherroub, Rabah and More, Mahendra A. and Shalke, Manjusha V.} } @article { ISI:000304888700036, title = {Visible-light-induced photosplitting of water over gamma {\textquoteleft}-Fe4N and gamma {\textquoteleft}-Fe4N/alpha-Fe2O3 nanocatalysts}, journal = {Journal of Physical Chemistry C}, volume = {116}, number = {22}, year = {2012}, month = {JUN}, pages = {12156-12164}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The application of gamma{\textquoteright}-Fe4N, a noble-metal-free, low-cost catalyst, in the photosplitting of neat water into stoichiometric amounts of H-2 and O-2 under visible-light irradiation is reported for the first time. The catalyst showed optical absorption and photoluminescence emission bands in the entire visible region. The photocatalytic water-splitting activity was wavelength-dependent, the quantum efficiency for H-2 evolution being ca. 1.7 and 0.7\% at excitation wavelengths of 450 and 500 nm, respectively. Addition of electron donor/acceptor sacrificial reagents considerably affected the yield and stoichiometry of H-2 and O-2. At the same time, the product yield increased in a composition-dependent manner for (gamma{\textquoteright}-Fe4N)(x) + (alpha-Fe2O3)(1-x) nanocomposites. This activity augmentation is ascribed to the better dispersion of the active component gamma{\textquoteright}-Fe4N and also to the availability of more active surface sites at Fe4N/Fe2O3 contacts. Moreover, the proximity of the valence band potential of the component photosystems promotes the preferential transfer/entrapment of photoexcited hole carriers. We envisage that the defect/impurity-induced interband-gap energy states may play a vital role in these charge-transfer processes, leading thereby to more effective e(-)-h(+) separation and the enhanced rate of the water-splitting reaction. First-principles electronic structure analysis suggests that the extraordinary photocatalytic and optical properties of intermetallic gamma{\textquoteright}-Fe4N may arise from the particle-size-dependent changes in electronic structure.

}, issn = {1932-7447}, doi = {10.1021/jp303255f}, author = {Dhanasekaran, P. and Salunke, Hemant G. and Gupta, Narendra M.} } @article { ISI:000323497900010, title = {Alishewanella solinquinati sp nov., isolated from soil contaminated with textile dyes}, journal = {Current Microbiology}, volume = {67}, number = {4}, year = {2013}, month = {OCT}, pages = {454-459}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

A novel Gram-negative, motile, rod-shaped, facultative anaerobic bacterial strain, KMK6(T), was isolated from soil contaminated with textile dyes from an industrial estate located at Ichalkaranji, Maharashtra, India, and its taxonomical position was established by using a polyphasic approach. The major cellular fatty acids included C-17:1 omega 8c, summed feature 3 (C-16:1 omega 7c and/or iso-C-15:0 2-OH), C-17:0, C-16:0,C- and C-18:1 omega 7c. The DNA G+C content of strain KMK6(T) was 48.8 mol \%. 16S rRNA gene sequence analysis confirmed its placement in the genus Alishewanella, and exhibited sequence similarity levels of below 97 \% to the type strains of validly published Alishewanella species. On the basis of genotypic and phenotypic evidence, strains KMK6(T) is considered to be a novel species of the genus Alishewanella, for which we propose that strain KMK6(T) (=NCIM 5295(T) =BCRC 17848(T)) is assigned to a novel species, Alishewanella solinquinati sp. nov.

}, issn = {0343-8651}, doi = {10.1007/s00284-013-0385-7}, author = {Kolekar, Yogesh M. and Pawar, Shrikant P. and Adav, Sunil S. and Zheng, Liu-Qiang and Li, Wen-Jun and Shouche, Yogesh S. and Dastager, Syed Gulam and Kodam, Kisan M.} } @article { ISI:000315758900005, title = {Alpha-trimethylsilylmethylamine radical cation in the synthesis of cyclic amines and beyond}, journal = {Chimia}, volume = {67}, number = {1-2}, year = {2013}, month = {FEB}, pages = {30-38}, publisher = {SWISS CHEMICAL SOC}, address = {SCHWARZTORSTRASSE 9, CH-3007 BERN, SWITZERLAND}, abstract = {

The evolution of chemistry associated with the photoinduced electron transfer (PET)-generated alpha-trimethylsilylmethylamine radical cation cyclization to a tethered olefin to synthesize byclic amine structural frame works is presented in chronological order. The importance of this interesting chemistry is demonstrated by the synthesis of several novel glycosidase inhibitors.

}, keywords = {1-N-Iminosugars, alpha-Amine radical, alpha-Trimethylsilyl methylamine radical cation, Glycosidase inhibitors, Photoinduced electron transfer (PET)}, issn = {0009-4293}, doi = {10.2533/chimia.2013.30}, author = {Pandey, Ganesh and Dey, Debasis and Gadre, Smita R.} } @article { ISI:000320036300013, title = {Ant-pro reverse-turn motif. structural features and conformational characteristics}, journal = {European Journal of Organic Chemistry}, number = {17, SI}, year = {2013}, month = {JUN}, pages = {3529-3542}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

This article details the characteristic conformational features of the Ant-Pro reverse turn ? a folded pseudo -turn motif that displays a closed nine-membered-ring hydrogen-bonded network involving just two amino acid residues, namely anthranilic acid (Ant; a constrained -amino acid), and proline (Pro; a constrained -amino acid). The results from the extensive investigation of ten crystal structures and their NMR conformations in the solution state provide a clear idea about the conformational characteristics of the Ant-Pro reverse turn. The Ant and Pro residues, which form the turn segment, maintain a perfect antiperiplanar orientation throughout, leaving little possibility for the formation of the otherwise possible six-membered hydrogen-bonding that requires a coplanar disposition of the two amino acid residues, as clearly evident from investigation of several crystal structures. The closed hydrogen-bonded network observed in the Ant-Pro reverse turn motif, formed in the forward direction of the sequence (12 amino acid interactions) involving only two amino acid residues, is in stark contrast to the native -turns that involve four residues to form hydrogen-bonded network featuring backward 14 amino acid interactions. The readily available two-residue Ant-Pro motif raises the possibility of a practical utility, particularly in the application of rigidifying flexible peptide backbones by inserting the robust Ant-Pro reverse turn motifs into their backbone.

}, keywords = {Peptides, Peptidomimetics, Protein folding, Protein structures}, issn = {1434-193X}, doi = {10.1002/ejoc.201201739}, author = {Thorat, Vijaykumar H. and Ingole, Tukaram S. and Vijayadas, Kuruppanthara N. and Nair, Roshna V. and Kale, Sangram S. and Ramesh, Veera V. E. and Davis, Hilda C. and Prabhakaran, Panchami and Gonnade, Rajesh G. and Gawade, Rupesh L. and Puranik, Vedavati G. and Rajamohanan, Pattuparambil R. and Sanjayan, Gangadhar J.} } @article { ISI:000319545800013, title = {Approach towards biocatalytic valorisation of barley beta-glucan for bioethanol production using 1,3-1,4 beta-glucanase and thermotolerant yeast}, journal = {International Biodeterioration \& Biodegradation}, volume = {82}, year = {2013}, month = {AUG}, pages = {81-86}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

The exploitation of renewable resource containing polymers other than cellulose and hemicellulose are critically important for the feasibility of biofuel production. The potential of 1,3-1,4 glucan 4-gluconohydrolyase mediated saccharification of barley beta-glucan (BG) was investigated for ethanol production using thermotolerant Saccharomyces sp. A maximum hydrolysis of 71\% was obtained in 24 h using in-house produced 1,3-1,4 beta-glucanase from an alkalothermophilic Thermomonospora sp. whereas the hydrolysis was 100\% with Accellerase (TM) 1000. The synergistic effect of beta-glucosidase and 1,3-1,4 beta-glucanase was demonstrated by the exogenous addition of beta-glucosidase to Thermomonospora 1,3-1,4 beta-glucanase which resulted in complete hydrolysis of BG. The hydrolysates of BG obtained using Accellerase or a cocktail of Thermomonospora 1,3-1,4 beta-glucanase and beta-glucosidase when fermented with free cells of Saccharomyces at 40 degrees C produced an ethanol yield of 0.44 g g(-1) and 0.46 g g(-1) respectively and when fermented with immobilized cells produced a yield of 0.49 g g(-1). The Ca-alginate immobilized yeast cells were reused nine times at 40 degrees C with 100\% fermentation efficiency. The economics of barley-to-fuel ethanol program will ameliorate if in addition to barley starch, beta-glucan is also utilized. (c) 2013 Elsevier Ltd. All rights reserved.

}, keywords = {1, 3-1, 4 Glucan 4-gluconohydrolyase, Barley beta-glucan, Ethanol, Hydrolysis, Synergism, Thermotolerant yeast}, issn = {0964-8305}, doi = {10.1016/j.ibiod.2013.03.002}, author = {Divate, Rupesh and Menon, Vishnu and Rao, Mala} } @article {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: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: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:000318296700018, title = {Catalytic dehydration of lactic acid to acrylic acid using calcium hydroxyapatite catalysts}, journal = {Green Chemistry}, volume = {15}, number = {5}, year = {2013}, month = {FEB}, pages = {1211-1217}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A series of calcium hydroxyapatite (HAP) catalysts were synthesised with a Ca/P ratio ranging from 1.3 to 1.89 by a co-precipitation method that involved changing the pH of the calcium and phosphorous precursors. The physicochemical characterization by XRD, SEM, BET surface area and CO2 and NH3-TPD techniques confirmed the hydroxyapatite formation. These HAP catalysts were used for the vapour phase dehydration of lactic acid to acrylic acid. The HAP catalyst with a Ca/P ratio of 1.3 was found to be the most efficient catalyst among the synthesised series, which gave 100\% conversion of lactic acid and 60\% selectivity towards acrylic acid at 375 degrees C when a 50\% (w/w) aqueous solution of lactic acid was used. The higher selectivity towards acrylic acid has been correlated to the increased acidity and reduced basicity of the HAP catalyst with a Ca/P ratio of 1.3 compared to the other HAP catalysts. The catalyst was found to be very stable and no deactivation was observed even after 300 h of reaction time. In situ FTIR studies were performed for understanding the mechanistic aspects and showed the formation of calcium lactate as an intermediate species during the dehydration of lactic acid to acrylic acid.

}, issn = {1463-9262}, doi = {10.1039/c3gc40144h}, author = {Ghantani, Vidhya C. and Lomate, Samadhan T. and Dongare, Mohan K. and Shubhangi B. Umbarkar} } @article { ISI:000315168800013, title = {Catalytic signal amplification using [Fe-III(biuret-amide)]-mesoporous silica nanoparticles: visual cyanide detection}, journal = {Chemical Communications}, volume = {49}, number = {22}, year = {2013}, month = {MAR}, pages = {2216-2218}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Catalytic signal amplification was used for the colorimetric detection of CN- in aqueous media by using the enzyme catalase in tandem with mesoporous silica nanoparticle based synthetic HRP enzyme mimic Fe-MSNs. Signal amplification up to a maximum of eight fold was observed for the reporter {\textquoteleft}{\textquoteleft}oxidized TMB{\textquoteright}{\textquoteright} with respect to the added CN- ion.

}, issn = {1359-7345}, doi = {10.1039/c3cc38932d}, author = {Panda, Chakadola and Dhar, Basab B. and Malvi, Bharmana and Bhattacharjee, Yudhajit and Sen Gupta, Sayam} } @article { ISI: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:000320024400001, title = {C-C Bond formation catalyzed by natural gelatin and collagen proteins}, journal = {Beilstein Journal of Organic Chemistry}, volume = {9}, year = {2013}, month = {JUN}, pages = {1111-1118}, publisher = {BEILSTEIN-INSTITUT}, address = {TRAKEHNER STRASSE 7-9, FRANKFURT AM MAIN, 60487, GERMANY}, abstract = {

The activity of gelatin and collagen proteins towards C-C bond formation via Henry (nitroaldol) reaction between aldehydes and nitroalkanes is demonstrated for the first time. Among other variables, protein source, physical state and chemical modification influence product yield and kinetics, affording the nitroaldol products in both aqueous and organic media under mild conditions. Significantly, the scale-up of the process between 4-nitrobenzaldehyde and nitromethane is successfully achieved at 1 g scale and in good yield. A comparative kinetic study with other biocatalysts shows an increase of the first-order rate constant in the order chitosan \< gelatin \< bovine serum albumin (BSA) \< collagen. The results of this study indicate that simple edible gelatin can promote C-C bond forming reactions under physiological conditions, which may have important implications from a metabolic perspective.

}, keywords = {biocatalysis, carbon-carbon bond formation, gelatin, Henry reaction, protein}, issn = {1860-5397}, doi = {10.3762/bjoc.9.123}, author = {Kuehbeck, Dennis and Dhar, Basab Bijayi and Schoen, Eva-Maria and Cativiela, Carlos and Gotor-Fernandez, Vicente and Diaz, David Diaz} } @article { ISI:000318362400053, title = {Charge storage and electron transport properties of gold nanoparticles decorating a urethane-methacrylate comb polymer network}, journal = {Nanoscale}, volume = {5}, number = {10}, year = {2013}, month = {MAR}, pages = {4404-4411}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

We propose enhanced charge storage capacity of nanoparticles based polymer films. A flat band voltage window varying from 5-7 V is obtained leading to a trapped charge density of the order of 10(13) cm(-2). These results vary for two distinct morphologies obtained due to decoration of a urethane-methacrylate comb polymer (UMCP) network by gold nanoparticles (AuNPs). Films have been further investigated for morphology, optical, charge storage, and electron transport properties using techniques like scanning electron microscopy (SEM), atomic force microscopy (AFM), absorption spectroscopy (UV-Vis), scanning tunneling microscopy/spectroscopy (STM/STS) and capacitance versus voltage (C-V) measurements. SEM and AFM confirm either the deposition of AuNPs inside the UMCP network or the formation of ring like structures depending on the deposition sequence. STS measurements performed on both films are compared with bare UMCP and AuNPs films. Current versus voltage (I-V) characteristics so obtained are discussed in the light of electron transport mechanisms in such materials.

}, issn = {2040-3364}, doi = {10.1039/c3nr00330b}, author = {Patil, Sumati and Datar, Suwarna and Rekha, N. and Asha, S. K. and Dharmadhikari, C. V.} } @article { ISI:000312940700015, title = {Chemistry in India: unlocking the potential}, journal = {Angewandte Chemie-International Edition}, volume = {52}, number = {1}, year = {2013}, month = {DEC}, pages = {114-117}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, issn = {1433-7851}, doi = {10.1002/anie.201206960}, author = {Arunan, Elangannan and Brakaspathy, Ramasamy and Desiraju, Gautam R. and Sivaram, Swaminathan} } @article { ISI:000317204600005, title = {Chitin synthase inhibitors as antifungal agents}, journal = {Mini-Reviews in Medicinal Chemistry}, volume = {13}, number = {2}, year = {2013}, month = {FEB}, pages = {222-236}, publisher = {BENTHAM SCIENCE PUBL LTD}, address = {EXECUTIVE STE Y-2, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB EMIRATES}, abstract = {

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

}, keywords = {Antifungal agents, Chitin synthase, Chitin synthase inhibitors, Nikkomycin, Peptidyl nucleoside antibiotics, Polyoxin}, issn = {1389-5575}, author = {Chaudhary, Preeti M. and Tupe, Santosh G. and Deshpande, Mukund V.} } @article { ISI:000322949600001, title = {Chitinolytic enzymes: an appraisal as a product of commercial potential}, journal = {Biotechnology Progress}, volume = {29}, number = {4}, year = {2013}, month = {JUL}, pages = {833-846}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Chitin, its deacetylated form, chitosan and chitinolytic enzymes viz. endo-chitinase, N-acetylglucosaminidase, chitosanase, chitin deacetylase (CDA) are gaining importance for their biotechnological applications. Presently, chitin degrading enzymes constitute high-cost low-volume products in human health care and associated research. Indeed chitinases and CDA-chitosanase complex possesss tremendous potential in agriculture to control plant pathogenic fungi and insects. The success in exploring chitinases especially for agriculture, i.e. as a high-volume low-cost product, depends on the availability of highly active preparations with a reasonable cost. Therefore, a reconsideration in terms of understanding the roles of chitinolytic enzymes in applications, e.g. host-pathogen interaction for biocontrol, different mechanisms of chitin degradation, and identification of new enzymes with varying specificities, may make them more useful in a variety of commercial processes in the near future. The possible issues and challenges encountered in the translation of proof of concept into a commercial product will be appraised in this review. (c) 2013 American Institute of Chemical Engineers Biotechnol. Prog., 29:833-846, 2013

}, keywords = {chitin deacetylase, chitinase, chitosanase, high-cost low-volume product, high-volume low-cost product}, issn = {8756-7938}, doi = {10.1002/btpr.1732}, author = {Chavan, S. B. and Deshpande, Mukund V.} } @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:000324656500008, title = {Clay entrapped Cu(OH)(x) as an efficient heterogeneous catalyst for ipso-hydroxylation of arylboronic acids}, journal = {Applied Catalysis A-General}, volume = {466}, year = {2013}, month = {SEP}, pages = {60-67}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A remarkably active, selective and stable montmorilonite-KSF entrapped Cu(OH)(x) catalyst, has been prepared for the ipso-hydroxylation of arylboronic acids under ambient conditions without requirement of any ligand or base. This catalyst shows excellent reusability without leaching and any significant loss in catalytic activity. The catalyst was characterized using, XRD, SEM, TPR, IR, XPS and BET surface area measurement techniques. (C) 2013 Elsevier B.V. All rights reserved.

}, keywords = {clay, Copper, heterogeneous catalysis, Phenols, Water chemistry}, issn = {0926-860X}, doi = {10.1016/j.apcata.2013.06.051}, author = {Dar, Bashir Ahmad and Bhatti, Prince and Singh, A. P. and Lazar, Anish and Sharma, Parduman R. and Sharma, Meena and Singh, Baldev} } @article {42494, title = {CN? specific turn-on phosphorescent probe with probable application for enzymatic assay and as an imaging reagent}, journal = {Chemical Communications}, volume = {49}, year = {2013}, month = {OCT}, pages = {255-257}, abstract = {

A new {\textquotedblleft}turn-on{\textquotedblright} luminescence probe for imaging the uptake of 0.2 ppm inorganic CN- in live HeLa cells as well as for probing the CN- generation through an enzymatic process in a virtual aqueous medium at appropriate pH.

}, doi = {10.1039/C2CC37243F}, author = {Reddy, Upendar G. and Das, Priyadip and Saha, Sukdeb and Baidya, Mithu and Ghosh, Sudip K. and Das, Amitava} } @article {42550, title = {Comparison of methods for identifying periodically varying genes}, journal = {International Journal of Bioinformatics Research and Applications}, volume = {9}, year = {2013}, month = {SEP}, pages = {53-70}, doi = {DOI: 10.1504/IJBRA.2013.050653}, author = {Vijayan, V. and Deshpande, P. and Gadgil, Chetan J. and Gadgil, Mugdha} } @article { ISI:000321012900013, title = {Controlled synthesis of a catalytically active hybrid metal-oxide incorporated zeolitic imidazolate framework (MOZIF)}, journal = {Chemical Communications}, volume = {49}, number = {59}, year = {2013}, month = {JUN}, pages = {6617-6619}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A rare hybrid Metal-Oxide incorporated Zeolitic Imidazolate Framework, MOZIF-1, containing tetrahedral Zn(II) and Mo(VI) centres has been synthesized. MOZIF-1 can degrade methyl orange and orange II dyes under visible light. Na-3[PMo12O40] is the source of Mo(VI) in MOZIF-1.

}, issn = {1359-7345}, doi = {10.1039/c3cc42904k}, author = {Dey, Chandan and Banerjee, Rahul} } @article { ISI: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:000328153400006, title = {Design of decanter in heterogeneous azeotropic distillation column by minimizing Gibbs free energy}, journal = {Asia-Pacific Journal of Chemical Engineering}, volume = {8}, number = {6}, year = {2013}, month = {NOV}, pages = {843-848}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

In this paper, liquid-liquid equilibrium in decanter of heterogeneous azeotropic distillation is solved by minimizing Gibbs free energy, by using global optimization technique. The azeotropic distillation column is modeled by solving material balance, equilibrium and summation equations, and repulsive particle swarm optimization (RPSO), a stochastic global optimization formalism, is employed to predict stable steady state solution in decanter. To verify the performance of the RPSO algorithm, it is compared with equation solving method for liquid-liquid equilibria by considering two azeotropic systems, namely (1) benzene-ethanol-water and (2) furfural-water. The proposed methodology shows feasibility of the RPSO algorithm in predicting liquid-liquid equilibrium in decanter of heterogeneous azeotropic distillation. (c) 2013 Curtin University of Technology and John Wiley \& Sons, Ltd.

}, keywords = {decanter, Gibbs free energy, heterogeneous azeotropic distillation, liquid-liquid equilibrium, Optimization, repulsive particle swarm optimization method}, issn = {1932-2135}, doi = {10.1002/apj.1728}, author = {Rahman, Imran and Ubaidullah, S. and Das, Anwesh Kr.} } @article { ISI:000325194900021, title = {Designing a thiol specific fluorescent probe for possible use as a reagent for intracellular detection and estimation in blood serum: kinetic analysis to probe the role of intramolecular hydrogen bonding}, journal = {Organic \& Biomolecular Chemistry}, volume = {11}, number = {38}, year = {2013}, month = {OCT}, pages = {6604-6614}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A new and simple chemodosimetric probe L-1 is utilized for the selective detection of biothiols in the presence of other relevant amino acids under physiological conditions (pH = 7.4). This eventually led to a turn-off luminescence response due to an effective photoinduced electron transfer based signaling mechanism. A comparison of the results of the fluorescence kinetic analysis and H-1 NMR studies of the reaction between thiol and L-1 or the analogous compound L-2 revealed the role of intramolecular hydrogen bonding in activating the imine functionality towards nucleophilic addition. Such an example is not common in contemporary literature. Conventional MTT assay studies revealed that this probe (L-1) has low cytotoxicity. Results of the cell imaging studies revealed that this probe was cell membrane permeable and could detect the intracellular distribution of biothiols within living HeLa cells. Furthermore, our studies with human blood plasma demonstrated the possibility of using this reagent for the quantitative optical detection of total biothiols in biological fluid. Such an example for the detection of biothiols in real biological samples is rare in the contemporary literature. These results clearly demonstrate the possibility of using this reagent in medicinal biology and diagnostic applications.

}, issn = {1477-0520}, doi = {10.1039/c3ob41284a}, author = {Das, Priyadip and Mandal, Amal Kumar and Reddy, Upendar G. and Baidya, Mithu and Ghosh, Sudip K. and Das, Amitava} } @article { ISI:000319335700004, title = {Detection and knockdown of MicroRNA-34a using thioacetamido nucleic acid}, journal = {Nucleic Acid Therapeutics}, volume = {23}, number = {3}, year = {2013}, month = {JUN}, pages = {195-202}, publisher = {MARY ANN LIEBERT INC}, address = {140 HUGUENOT STREET, 3RD FL, NEW ROCHELLE, NY 10801 USA}, abstract = {

Thioacetamido nucleic acids (TANA) contain a backbone modification of dinucleotides consisting of a 5-atom amide linker N3{\textquoteright}-COCH2-S-CH2 at thymidine or thymidine-cytidine dimer blocks. Here, the chemical synthesis of the TANA linked 5-methyl-cytidine-cytidine ((Me)cc) dimer block and its incorporation into the DNA sequence, complementary to human microRNA 34 (miR-34) is described. Further, for the first time, we demonstrate the biological applications of TANA modified oligonucleotides in detection and intracellular knockdown of a cancer related microRNA in comparison with DNA containing locked nucleic acid (LNA) and 2{\textquoteright}-O-methyl modifications. The human microRNA miR-34 is a pro-apoptotic microRNA under the transcriptional control of protein 53 (p53). It gets expressed in response to DNA damage and regulates several cell cycle and apoptosis related targets. Here, we show that the TANA modified antisense oligonucleotide binds specifically to miR-34a, allowing its detection using primer extension. We also show that, using the TANA modified antisense oligonucleotide against miR-34a, intracellular levels of miR-34 can be reduced, and consequently, the expression of its target oncogene V-myc myelocytomatosis viral related oncogene, neuroblastoma derived (MYCN) is enhanced. Further, we assessed the toxicity and serum stability of the oligonucleotide to conclude that it is suitable for detection and modulation of the vital biomarker and tumor suppressor microRNA.

}, issn = {2159-3337}, doi = {10.1089/nat.2012.0411}, author = {Soni, Kartik and Gupta, Shivani and Gokhale, Sachin S. and Dey, Rakesh and Gunjal, Anita D. and Kumar, Vaijayanti A. and Pillai, Beena} } @article { ISI:000313812400012, title = {Development of a multifunctional catalyst for a {\textquoteleft}{\textquoteleft}relay{\textquoteright}{\textquoteright} reaction}, journal = {RSC Advances}, volume = {3}, number = {7}, year = {2013}, month = {DEC}, pages = {2186-2191}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

In the area of catalysis, nanoparticles and enzymes are two of the most important systems. By amalgamating the two, we present here proof of the concept that it is possible to prepare a multifunctional catalyst that can carry out a {\textquoteleft}{\textquoteleft}relay{\textquoteright}{\textquoteright} reaction. The catalyst consists of a surface bound enzyme on a metal(core)-silica(shell) nanoparticle architecture. Here the enzyme catalyzes the 1st reaction and the metal nanoparticles act as a catalyst for the 2nd reaction of the product from the 1st reaction. In particular, we have studied the catalytic activity of glucosidase grafted Au@mSiO(2) on 4-nitrophenyl-beta-glucopyranoside, where glucosidase will catalyse the 1st step to generate 4-nitrophenol, which acts as a substrate for the next reduction step which is catalysed by the Au nanoparticles present inside the mesoporous silica shell.

}, issn = {2046-2069}, doi = {10.1039/c2ra22829g}, author = {Ganai, Anal Kumar and Shinde, Pravin and Dhar, Basab B. and Sen Gupta, Sayam and Bhagavatula L. V. Prasad} } @article { ISI:000322943000001, title = {Diethylamine: a smart organocatalyst in eco-safe and diastereoselective synthesis of medicinally privileged 2-amino-4H-chromenes at ambient temperature}, journal = {Comptes Rendus Chimie}, volume = {16}, number = {8}, year = {2013}, month = {AUG}, pages = {689-695}, publisher = {ELSEVIER FRANCE-EDITIONS SCIENTIFIQUES MEDICALES ELSEVIER}, address = {23 RUE LINOIS, 75724 PARIS, FRANCE}, abstract = {

Diethylamine has been demonstrated to be an efficient organocatalyst in the diastereoselective synthesis of Bcl-2 protein antagonist (HA-14-1) and of its structural analogues by one-pot condensation between salicylaldehyde and three different C-H acids, viz, ethyl cyanoacetate, phenylsulfonyl acetonitrile, and malononitrile. Easy commercial availability of the catalyst at extremely low cost and avoidance of conventional work-up as well as purification procedures qualifies this scalable protocol for a {\textquoteleft}{\textquoteleft}near-ideal synthesis{\textquoteright}{\textquoteright}. (c) 2013 Academie des sciences. Published by Elsevier Masson SAS. All rights reserved.

}, keywords = {2-amino-4H-chromenes, Active methylene compounds (C-H acids), diethylamine, multicomponent reactions, organocatalyst}, issn = {1631-0748}, doi = {10.1016/j.crci.2013.02.016}, author = {Kulkarni, Makarand A. and Pandit, Kapil S. and Desai, Uday V. and Lad, Uday P. and Wadgaonkar, Prakash P.} } @article { ISI:000318901000001, title = {Draft genome of ochrobactrum intermedium strain M86 isolated from non-ulcer dyspeptic individual from India}, journal = {GUT Pathogens}, volume = {5}, year = {2013}, month = {APR}, pages = {7}, publisher = {BIOMED CENTRAL LTD}, address = {236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND}, abstract = {

Background: Ochrobactrum intermedium is an emerging opportunistic pathogen of humans that is closely related to members of the genus Brucella. Earlier, we reported the case of an Indian subject with non-ulcer dyspeptic symptoms whose urease positive gastric biopsy revealed the presence of Helicobacter pylori along with non-Helicobacter like bacteria, eventually cultured and identified as O. intermedium strain M86. Results: Here, we describe the unclosed draft genome of the strain M86 with a length of 5,188,688 bp and mean G+C content of 57.9\%. We have also identified many putative gene clusters that might be responsible for its persistence in the gastric mucosa. Comparative analysis of genomic features of Ochrobactrum intermedium strain M86 and Ochrobactrum intermedium LMG 3301(T) was also done. Conclusions: This paper attempts to gain whole-genome based insights into the putative gene determinants of O. intermedium for survival in the highly acidic stomach lumen environment. Identification of genes putatively involved in the various metabolic pathways may lead to a better understanding of the survival of O. intermdedium in acidic condition.

}, issn = {1757-4749}, doi = {10.1186/1757-4749-5-7}, author = {Kulkarni, Girish and Dhotre, Dhiraj and Dharne, Mahesh S. and Shetty, Sudarshan and Chowdhury, Somak and Misra, Vatsala and Misra, Sriprakash and Patole, Milind and Shouche, Yogesh} } @article { ISI:000326320000017, title = {Efficient, stable, and reusable silicoaluminophosphate for the one-pot production of furfural from hemicellulose}, journal = {ACS Catalysis}, volume = {3}, number = {10}, year = {2013}, month = {OCT}, pages = {2299-2303}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Development of stable, reusable, and water tolerant solid acid catalysts in the conversion of polysaccharides to give value-added chemicals is vital because catalysts are prone to undergo morphological changes during the reactions With the anticipation that silicoaluminophosphate (SAPO) catalysts will have higher hydrothermal stability, those were synthesized, characterized, and employed in a one-pot conversion of hemicellulose. SAPO-44 catalyst at 170 degrees C within 8 h could give 63\% furfural yield with 88\% mass balance and showed similar activity up to at least 8 catalytic cycles. The morphological studies revealed that SAPO catalysts having hydrophilic characteristics are stable under reaction conditions.

}, keywords = {furfural, Hemicellulose, hydrophilicity, SAPO, water-tolerant catalyst, zeolite}, issn = {2155-5435}, doi = {10.1021/cs400495j}, author = {Bhaumik, Prasenjit and Dhepe, Paresh Laxmikant} } @article { ISI: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:000323241100045, title = {Enhanced hole carrier transport due to increased intermolecular contacts in small molecule based field effect transistors}, journal = {ACS Applied Materials \& Interfaces}, volume = {5}, number = {15}, year = {2013}, month = {AUG}, pages = {7086-7093}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Small molecules and oligomers can be synthesized with very high purity and precise molecular weights, but they often do not form uniform thin films while processed from solution. Decreased intermolecular contacts between the small molecules are another disadvantage. To increase the intermolecular contacts in small molecules, we have chosen i-indigo, as one of the conjugated molecular units. The electron poor i-indigo has been connected with electron rich triphenylamine to synthesize a donor-acceptor-donor type small molecule. The propeller shaped triphenylamine helps to increase the solubility of the small molecule as well as isotropic charge transport. The intermolecular spacing between the molecules has been found to be low and did not vary as a function of thermal annealing. This implies that the intermolecular contacts between the small molecules are enhanced, and they do not vary as a function of thermal annealing. Organic field effect transistors (OFET) fabricated using a small molecule exhibited a hole carrier mobility (mu) of 0.3 cm(2)/(V s) before thermal annealing. A marginal increase in mu was observed upon thermal annealing at 150 degrees C, which has been attributed to changes in thin film morphology. The morphology of the thin films plays an important role in charge transport in addition to the intermolecular spacing that can be modulated with a judicious choice of the conjugated molecular unit.

}, keywords = {hole mobility, i-indigo, organic field effect transistor, quadrupole interaction, small molecules, triphenylamine}, issn = {1944-8244}, doi = {10.1021/am401379a}, author = {Dharmapurikar, Satej S. and Arulkashmir, Arulraj and Das, Chayanika and Muddellu, Pooja and Krishnamoorthy, Kothandam} } @article { ISI:000317558000024, title = {Epoxidation of styrene by t-butyl hydroperoxide over gold nanoparticles supported on Yb2O3: effect of gold deposition method, gold loading, and calcination temperature of the catalyst on its surface properties and catalytic performance}, journal = {Journal of Catalysis}, volume = {300}, year = {2013}, month = {APR}, pages = {217-224}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

Surface properties and epoxidation performance of Au/Yb2O3 catalyst are influenced by the method of gold deposition [viz. deposition-precipitation (DP), homogeneous deposition-precipitation (HDP) or impregnation], gold loading (0.9-6.6 wt\%), and the catalyst calcination temperature (400-900 degrees C)]. The catalyst showed the best epoxidation performance when it was prepared by the HDP method and calcined at 500 degrees C. The Au/Yb2O3 catalyst even after calcination at 900 degrees C showed good activity and epoxide selectivity. Both Au-0 and Au3+ surface species were found in the catalyst calcined at 800 degrees C, but only Au-0 species were observed at the lower calcination temperatures (\<600 degrees C). The selectivity for styrene oxide increased continuously with the reaction temperature (from 75 degrees C to 97 degrees C) and time (1-5 h), indicating that styrene oxide did not undergo secondary reactions under these conditions. (C) 2013 Elsevier Inc. All rights reserved.

}, keywords = {Au/Yb2O3 catalyst, Epoxidation of styrene, gold nanoparticles, Styrene oxide, tert-Butyl hydroperoxide}, issn = {0021-9517}, doi = {10.1016/j.jcat.2013.01.002}, author = {Choudhary, Vasant R. and Dumbre, Deepa K. and Patil, N. S. and Uphade, B. S. and Bhargava, Suresh Kumar} } @article {42806, title = {Evaluation of viability of halogen{\textbullet}{\textbullet}{\textbullet}O2N interactions: insight form crystal packing in a series of isomeric halo and nitro substituted triaryl compounds with modular positioning of halogen and NO2 groups}, journal = {CrystEngComm}, volume = {15}, year = {2013}, month = {APR}, pages = {5283-5300}, abstract = {

A series of isomeric triaryl compounds with a modular positioning of the halogen and NO2 groups have been synthesized by the azide{\textendash}alkyne {\textquotedblleft}click reaction{\textquotedblright} and have been characterized by single crystal X-ray structure analysis. This isomeric series has provided an opportunity for understanding the efficiency of the bifurcated halogen...NO2 synthon in the organization of the molecules in the crystalline lattice. The changes in molecular conformation, crystal packing and supramolecular aggregation due to the change in the relative positioning of the complementary groups, halogen atom and the NO2 group on ring A and ring C respectively, have been discussed. All the isomers synthesized are crystalline and establish the triazole as a reliable linker for crystal engineering oriented molecular synthesis. The 2-NO2 derivatives display in general, a helical architecture and 3-NO2 derivatives exhibit a centrosymmetric dimeric assembly via the complementary C{\textendash}H...O interactions leading to either a helical or a 2-dimensional sheet pattern. The molecular organization in 4-NO2 derivatives revealed in general a 2D sheet pattern.

}, doi = {10.1039/C3CE40192H}, author = {Ramana, Chepuri V. and Goriya, Yogesh and Durugkar, Kulbhushan A. and Chatterjee, Soumitra and Krishnaswamy, Shobhana and Gonnade, Rajesh G.} } @article {42490, title = {First demonstration of two-step FRET in a synthetic supramolecular assembly}, journal = {Chemical Science}, volume = {4}, year = {2013}, month = {MAR}, pages = {2380-2386}, abstract = {

We report a trichromophoric pseudorotaxane (3NPC) that demonstrates a two-step FRET-based relay comprising of primary donor{\textendash}primary acceptor/secondary donor{\textendash}secondary acceptor pairs. To achieve this, naphthalene (1) and coumarin (3) were used as the primary donor and secondary acceptor, respectively; while pyrene (2 or T) unit, having spectral overlap with both 1 and 3, was used as the primary acceptor as well as the secondary donor. Results of time resolved and steady-state emission studies reveal that sequential resonance energy transfer (FRET 1 {\textrightarrow} 2 {\textrightarrow} 3) and direct resonance energy transfer (FRET 1 {\textrightarrow} 3) processes are operational simultaneously. In the sequential energy transfer process (1 {\textrightarrow} 2 {\textrightarrow} 3) of the triad system, pyrene acts as a transmitter and makes the whole supramolecular assembly behave as a linear energy transferring wire. Sensitised emission of the coumarin moiety, i.e. the secondary and eventual final acceptor, offers the possibility of evaluating the performance of this linear trichromophoric system by one and two-step FRET mechanisms. Formation of an interwoven complex between the host (NCC24O8) and the guest (T) components, utilizing various non-bonding interactions (intercomponent [N+{\textendash}H...O], [C{\textendash}H...O] and π{\textendash}π stacking interactions) has been confirmed by 1H NMR studies in solution and a single crystal X-structural study in the solid state. The formation constant (Kf = 2.31 {\texttimes} 103 M-1) for the [2]pseudorotaxane was evaluated using isothermal titration calorimetric studies. The complex gives rise to the first crystal structure of a self-assembled [2]pseudorotaxane that demonstrates sequential two-step FRET based energy transfer in a self-assembled triad that is held in an assembly through non-covalent interactions, such as hydrogen bonding and π{\textendash}π stacking.

}, doi = {10.1039/C3SC50282A}, author = {Suresh, Moorthy and Mandal, Amal Kumar and Suresh, E. and Das, Amitava} } @article { ISI:000314795300042, title = {Four 3D Cd(II)-based metal organic hybrids with different N,N {\textquoteleft}-donor spacers: syntheses, characterizations, and selective gas adsorption properties}, journal = {Crystal Growth \& Design}, volume = {13}, number = {2}, year = {2013}, month = {FEB}, pages = {731-739}, abstract = {

{Four new metal organic frameworks with bivalent cadmium, disodium succinate (Na(2)suc), and four different N,N{\textquoteright}-donor ligands, i.e., {[Cd(L1)(suc)]center dot(H2O)(3)}(n) (1), {[Cd(L2)(suc)]center dot(H2O)(2)\

}, author = {Bhattacharya, Biswajit and Dey, Rajdip and Pachfule, Pradip and Banerjee, Rahul and Ghoshal, Debajyoti} } @article { ISI:000316759800020, title = {Genome-wide identification and characterization of microRNA genes and their targets in flax (Linum usitatissimum)}, journal = {Planta}, volume = {237}, number = {4}, year = {2013}, month = {APR}, pages = {1149-1161}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

MicroRNAs (miRNAs) are small (20-24 nucleotide long) endogenous regulatory RNAs that play important roles in plant growth and development. They regulate gene expression at the post-transcriptional level by translational repression or target degradation and gene silencing. In this study, we identified 116 conserved miRNAs belonging to 23 families from the flax (Linum usitatissimum L.) genome using a computational approach. The precursor miRNAs varied in length; while most of the mature miRNAs were 21 nucleotide long, intergenic and showed conserved signatures of RNA polymerase II transcripts in their upstream regions. Promoter region analysis of the flax miRNA genes indicated prevalence of MYB transcription factor binding sites. Four miRNA gene clusters containing members of three phylogenetic groups were identified. Further, 142 target genes were predicted for these miRNAs and most of these represent transcriptional regulators. The miRNA encoding genes were expressed in diverse tissues as determined by digital expression analysis as well as real-time PCR. The expression of fourteen miRNAs and nine target genes was independently validated using the quantitative reverse transcription PCR (qRT-PCR). This study suggests that a large number of conserved plant miRNAs are also found in flax and these may play important roles in growth and development of flax.

}, keywords = {Digital expression analysis, Gene cluster, Linseed, miRNA, MiRNA target transcript, Promoter analysis}, issn = {0032-0935}, doi = {10.1007/s00425-012-1833-5}, author = {Barvkar, Vitthal T. and Pardeshi, Varsha C. and Kale, Sandip M. and Qiu, Shuqing and Rollins, Meaghen and Datla, Raju and Gupta, Vidya S. and Kadoo, Narendra Y.} } @article {42573, title = {Heterovalent cation substitutional doping for quantum dot homojunctions}, journal = {Nature Communications}, volume = {4}, year = {2013}, month = {DEC}, pages = {Article number: 2981}, abstract = {

Colloidal quantum dots have emerged as a material platform for low-cost high-performance optoelectronics. At the heart of optoelectronic devices lies the formation of a junction, which requires the intimate contact of n-type and p-type semiconductors. Doping in bulk semiconductors has been largely deployed for many decades, yet electronically active doping in quantum dots has remained a challenge and the demonstration of robust functional optoelectronic devices had thus far been elusive. Here we report an optoelectronic device, a quantum dot homojunction solar cell, based on heterovalent cation substitution. We used PbS quantum dots as a reference material, which is a p-type semiconductor, and we employed Bi-doping to transform it into an n-type semiconductor. We then combined the two layers into a homojunction device operating as a solar cell robustly under ambient air conditions with power conversion efficiency of 2.7\%.

}, doi = {10.1038/ncomms3981}, author = {Stavrinadis, Alexandros and Rath, Arup Kumar and Pelayo Garcia de Arquer, F. and Diedenhofen, Silke L. and Magen, Cesar and Martinez, Luis and So, David and Konstantatos, Gerasimos} } @article { ISI:000322587800006, title = {High efficiency electron field emission from protruded graphene oxide nanosheets supported on sharp silicon nanowires}, journal = {Journal of Materials Chemistry C}, volume = {1}, number = {33}, year = {2013}, month = {JUN}, pages = {5040-5046}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Graphene oxide (GO) potentially has applications in vacuum microelectronic devices for realization of field emission displays. Graphene and its derivatives are expected to be efficient field emitters due to their unique electrical properties. However, the flat sheet structure of graphene or GO allows electron field emission only from the edges of graphene and GO nanosheets. In order to extract maximum field emission current density at lower applied voltage from the GO nanosheets, we supported and stretched them on sharp tips of silicon nanowires (SiNWs). Highly efficient and stable field emission with low turn-on field was observed for these SiNW-GO heterostructures. The sharp protrusions created by stretching of the GO nanosheets on SiNWs locally enhance the electric field and thus enhance the field emission characteristics. The dominant use of silicon in electronic devices makes this approach robust for the development of field emission devices using graphene based field emitters.

}, issn = {2050-7526}, doi = {10.1039/c3tc30904e}, author = {Devarapalli, Rami Reddy and Kashid, Ranjit V. and Deshmukh, Ashvini B. and Sharma, Ponchami and Das, Manash R. and More, Mahendra A. and Shelke, Manjusha V.} } @article { ISI:000323132100073, title = {Highly concise and practical route to clavaminols, sphinganine and (+)-spisulosine via indium mediated allylation of alpha-hydrazino aldehyde and a theoretical insight into the stereochemical aspects of the reaction}, journal = {RSC Advances}, volume = {3}, number = {35}, year = {2013}, month = {JUL}, pages = {15442-15448}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A conceptually different approach has been employed for the synthesis of 1,2-amino alcohols by proline-catalyzed alpha-amination of aldehyde and one-pot indium mediated allylation of the crude alpha-hydrazino aldehydes. DFT based quantum chemical calculations have been performed to obtain a quantitative explanation of the stereoselectivity of the reaction.

}, issn = {2046-2069}, doi = {10.1039/c3ra43048k}, author = {Pandey, Menaka and Chowdhury, Partha Sarathi and Dutta, Achintya Kumar and Kumar, Pradeep and Pal, Sourav} } @article { ISI:000320042800001, title = {Host plant selection by larvae of the muga silk moth, antheraea assamensis, and the role of the antenna and maxillary palp}, journal = {Journal of Insect Science}, volume = {13}, year = {2013}, month = {JUN}, pages = {52}, publisher = {UNIV ARIZONA}, address = {LIBRARY C327, TUCSON, AZ 85721 USA}, abstract = {

The importance of olfactory senses in food preference in fifth instar larvae of Antheraea assamensis Helfer (Lepidoptera: Saturniidae) was examined by subjecting larvae with only antennae or maxillary palpi after microsurgery to food and odor choice tests. Mean percent consumption, total consumption, and choice indices were used as parameters for drawing conclusions. The foods used were two hosts, two non-hosts, and a neutral medium (water). Both antennae and maxillary palpi were fully competent in preference for host plants, Persea bombycina Kostermans (Laurales: Lauraceae) and Litsea polyantha Juss, over the non-hosts, Litsea grandifolia Teschner and Ziziphus jujuba Miller (Rosales: Rhamnaceae). Both were competent in rejecting the non-hosts, L. grandifolia and Z. jujuba. The odor choice test was carried out using a Y-tube olfactometer and showed similar results to the ingestive tests. The results indicate the necessity of functional integration of a combination of olfactory and gustatory sensilla present in different peripheral organs in food acceptance by A. assamensis larvae.

}, keywords = {food choice, maxillae, Y-tube olfactometer}, issn = {1536-2442}, author = {Bora, Dipsikha S. and Deka, Bhabesh and Sen, Avolikiteswar} } @article { ISI:000328437200053, title = {Hydrolytic conversion of a metal-organic polyhedron into a metal-organic framework}, journal = {Angewandte Chemie-International Edition}, volume = {52}, number = {51}, year = {2013}, month = {DEC}, pages = {13755-13759}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, keywords = {cage compounds, crystal engineering, hydrophobic effect, metal-organic frameworks, Self-assembly}, issn = {1433-7851}, doi = {10.1002/anie.201307486}, author = {Mallick, Arijit and Garai, Bikash and Diaz, David Diaz and Banerjee, Rahul} } @article { ISI:000325272100040, title = {Influence of properties of SAPO{\textquoteright}s on the one-pot conversion of mono-, di- and poly-saccharides into 5-hydroxymethylfurfural}, journal = {RSC Advances}, volume = {3}, number = {38}, year = {2013}, month = {JUL}, pages = {17156-17165}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Synthesis of 5-hydroxymethylfurfural (5-HMF) from biomass derived mono-and poly-saccharides is gaining importance because of its usefulness in the preparation of important chemicals. In our work, we have synthesized several silicoaluminophosphate (SAPO) catalysts, and have shown that in the absence of any other pH modifying reagents, those are active in converting mono-and poly-saccharides into 5-HMF under biphasic reaction condition at 175 degrees C. Particularly, SAPO-44 catalyst showed the best activity in the conversion of fructose to yield 78\% 5-HMF with 88\% selectivity. On the contrary, all other catalysts showed lower yields (H-MOR: 63\%, SAPO-5: 32\%, 2DCT: 60\%). Over SAPO-44, good yields for 5-HMF were observed when glucose (67\%), maltose (57\%), cellobiose (56\%) and starch (68\%) were used as substrates. Recycle study carried out with SAPO-44 catalyst in the fructose conversion reaction showed marginal decrease in the activity up to 3rd run and then afterwards constant activity was observed up to 5th run (1st: 78\%, 2nd: 71\%, 3rd: 66\%, 4th: 65\%, 5th: 65\%). Catalyst characterizations revealed that SAPO catalysts have higher hydrophilic nature than H-MOR (Si/Al = 10) and hence it is postulated that this property may help in achieving better results. Further studies on the catalyst characterizations revealed that SAPO-44 undergoes modifications in its structure. However, ICP-OES data suggests that Al and/or P are not leached out in the solution indicating that change in local environment around elements is possible. The influence of acid amount, type of acid site etc. on the catalytic activity is discussed and found out that strong acid sites are required to boost the 5-HMF yields.

}, issn = {2046-2069}, doi = {10.1039/c3ra43197e}, author = {Bhaumik, Prasenjit and Dhepe, Paresh Laxmikant} } @article { ISI:000314177300008, title = {Influence of the sophorolipid molecular geometry on their self-assembled structures}, journal = {Chemistry-an Asian Journal}, volume = {8}, number = {2}, year = {2013}, month = {FEB}, pages = {369-372}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, keywords = {bolaamphiphiles, helical structures, p-p stacking, Self-assembly, sophorolipids}, issn = {1861-4728}, doi = {10.1002/asia.201200935}, author = {Dhasaiyan, Prabhu and Banerjee, Agnimitra and Visaveliya, Nikunjkumar and Bhagavatula L. V. Prasad} } @article { ISI: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:000324758700022, title = {Interfacial charge recombination of Os(II)-polypyridyl-resorcinol complex on oleic acid capped TiO2 surface: what determines the dynamics?}, journal = {New Journal of Chemistry}, volume = {37}, number = {10}, year = {2013}, month = {JUL}, pages = {3100-3108}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Femtosecond transient absorption spectroscopic studies of an osmium(II)-polypyridyl-resorcinol complex, 1, on oleic acid capped TiO2 have been carried out and the results have been compared with our previous studies on poly(vinyl) alcohol capped TiO2. While on both these surfaces the complex exhibits a single exponential \<120 fs injection, the back electron transfer reaction is slower on the oleic acid capped TiO2 surface early on while it is faster on the same surface at longer times than on poly(vinyl)alcohol capped TiO2. The probable origin of these disparate observations has been analyzed.

}, issn = {1144-0546}, doi = {10.1039/c3nj00550j}, author = {Banerjee, Tanmay and Das, Amitava and Ghosh, Hirendra N.} } @article { ISI:000319680800041, title = {Isolation, characterization, and identification of catalytically active species in the MoO3/SiO2 catalyst during solid acid catalyzed reactions}, journal = {Chemcatchem}, volume = {5}, number = {6}, year = {2013}, month = {JUN}, pages = {1531-1537}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

We report the isolation, characterization, and identification of the catalytically active species formed during various acid-catalyzed reactions if silica-supported MoO3 was used as a catalyst. We have reported previously the synthesis and extensive characterization of the silica-supported MoO3 catalyst prepared by the sol-gel process with ammonium heptamolybdate and ethyl silicate-40 as molybdenum and silica precursors, respectively. The TEM images showed uniformly distributed MoO3 nanoparticles on the high-surface area mesoporous silica support and high acidity (0.9mmolg-1) by using temperature-programmed desorption of ammonia (NH3-TPD) analysis. This catalyst has already shown high activity for various acid-catalyzed reactions. To understand the nature of catalytically active species formed during the reaction, the liquid-phase esterification of acetic acid and ethanol was studied as a probe reaction with very high acid conversion (83\%) in 8h. During esterification, the reaction mixture turned blue, which indicated a change in the nature of the catalyst under reaction conditions. These catalytically active species formed in the reaction mixture were isolated and extensively characterized by using FTIR, Raman, powder XRD, BET surface area, NH3-TPD, energy dispersive X-ray, and TEM analysis. The characterization results revealed the insitu formation of silicomolybdic acid on the silica surface in the presence of water, which acts as catalytically active species responsible for the acid-catalyzed reactions.

}, keywords = {esterification reactions, heterogeneous catalysis, Molybdenum, silicon, sol-gel processes}, issn = {1867-3880}, doi = {10.1002/cctc.201200662}, author = {Kotbagi, Trupti V. and Biradar, Ankush V. and Shubhangi B. Umbarkar and Dongare, Mohan K.} } @article { ISI:000317080100001, title = {Marine actinobacteria showing phosphate-solubilizing efficiency in Chorao Island, Goa, India}, journal = {Current Microbiology}, volume = {66}, number = {5}, year = {2013}, month = {MAY}, pages = {421-427}, publisher = {SPRINGER}, type = {Article}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

The occurrence and distribution of an actinobacteria group of bacteria capable of dissolving insoluble phosphates were investigated in this study in marine environments, especially in sediments of Chorao Island, Goa Province, India. A total of 200 bacterial isolates of actinobacteria was isolated. All isolates were screened for phosphate-solubilizing activity on Pikovskaya{\textquoteright}s agar. Thirteen different isolates exhibiting maximum formation of halos (zone of solubilization) around the bacterial colonies were selected for quantitative estimations of P-solubilization. Quantitative estimations for P-solubilization were analyzed for up to 10 days at intervals of 24 h. Maximum solubilization from 89.3 +/- A 3.1 to 164.1 +/- A 4.1 mu g ml(-1) was observed after 6 days of incubation in six of all isolates, while the isolate NII-1020 showed maximum P-solubilization. The increase in solubilization coincided with the drop in pH. Many of these species showed wide range of tolerance to temperature, pH, and salt concentrations. Further, 16S rRNA gene sequence analyses were carried to identify the bacterial groups which are actively solubilized phosphate in vitro. Gene sequencing results reveal that all isolates were clustered into six different actinobacterial genera: Streptomyces, Microbacterium, Angustibacter, Kocuria, Isoptericola, and Agromyces. The presence of phosphate-solubilizing microorganisms and their ability to solubilize phosphate were indicative of the important role played by bacteria in the biogeochemical cycle of phosphorus and the plant growth in coastal ecosystems.

}, issn = {0343-8651}, doi = {10.1007/s00284-012-0288-z}, author = {Dastager, Syed Gulam and Damare, Samir} } @article { ISI:000326207600024, title = {Mechanism of action of novel synthetic dodecapeptides against Candida albicans}, journal = {Biochimica Et Biophysica Acta-General Subjects}, volume = {1830}, number = {11}, year = {2013}, month = {NOV}, pages = {5193-5203}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {Antifungal peptide, Antimicrobial peptide (AMP), Apoptosis, Candida albicans, Reactive Oxygen Species (ROS)}, issn = {0304-4165}, doi = {10.1016/j.bbagen.2013.07.016}, author = {Maurya, Indresh Kumar and Thota, Chaitanya Kumar and Sharma, Jyotsna and Tupe, Santosh Genba and Chaudhary, Preeti and Singh, Manoj Kumar and Thakur, Indu Shekhar and Deshpande, Mukund V. and Prasad, Rajendra and Chauhan, Virander Singh} } @article { ISI:000317255200008, title = {Mechanistic approach for expeditious and solvent-free synthesis of alpha-hydroxy phosphonates using potassium phosphate as catalyst}, journal = {Comptes Rendus Chimie}, volume = {16}, number = {2}, year = {2013}, month = {FEB}, pages = {148-152}, publisher = {ELSEVIER FRANCE-EDITIONS SCIENTIFIQUES MEDICALES ELSEVIER}, address = {23 RUE LINOIS, 75724 PARIS, FRANCE}, abstract = {

An extremely simple, high yielding, highly rapid and solvent-free protocol has been described for hydrophosphylation of aldehydes using potassium phosphate as catalyst. Easy commercial availability of the reusable catalyst, operational simplicity at ambient temperature and avoidance of conventional work-up as well as purification procedure makes this solvent-free protocol a near-ideal synthesis. (C) 2012 Academie des sciences. Published by Elsevier Masson SAS. All rights reserved.

}, keywords = {alpha-hydroxy phosphonates, Hydrophosphylation, Potassium phosphate, Solvent-free}, issn = {1631-0748}, doi = {10.1016/j.crci.2012.10.009}, author = {Kulkarni, Makarand A. and Lad, Uday P. and Desai, Uday V. and Mitragotri, Satish D. and Wadgaonkar, Prakash P.} } @article { ISI:000315321400011, title = {Metal-mediated alkynediol cycloisomerization: first and second generation formal total syntheses of didemniserinolipid B}, journal = {Tetrahedron}, volume = {69}, number = {7}, year = {2013}, month = {FEB}, pages = {1881-1896}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A formal total synthesis of didemniserinolipid B was developed by employing a regioselective metal-mediated 6-endo-dig alkynol-cycloisomerization reaction. Two routes for the synthesis of key Burke{\textquoteright}s intermediate have been developed. Our initial approach involved the introduction of a C-17-allcynol followed by Pd-mediated cycloisomerization and then coupling with the serinol unit prior to the introduction of an alpha,beta-unsaturated ester unit through selective oxidation of 1 degrees-OH followed by a two-carbon Wittig homologation. Alternatively, the second generation strategy featuring the serinol coupling with the C-17-alkynol followed by alkyne addition to the epoxide and subsequent Au-mediated cycloisomerization of an acetonide protected alkynediol unit has been executed. This approach has avoided several late stage protection-deprotection events. (C) 2012 Elsevier Ltd. All rights reserved.

}, keywords = {Alkynol-cycloisomerization, Bicyclic ketal, Gold catalysis, Palladium catalysis, Zipper reaction}, issn = {0040-4020}, doi = {10.1016/j.tet.2012.12.045}, author = {Das, Shyamsundar and Induvadana, Boddeti and Ramana, C. V.} } @article { ISI:000326615000007, title = {Molecular insights into resistance mechanisms of lepidopteran insect pests against toxicants}, journal = {Journal of Proteome Research}, volume = {12}, number = {11}, year = {2013}, month = {NOV}, pages = {4727-4737}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Insect pests remain a major reason for crop loss worldwide despite extensive use of chemical insecticides. More than B 50\% of all insecticides are organophosphates, followed by synthetic pyrethroids, organochlorines, carbamates, and biopesticides, and their continued use may have many environmental, agricultural, medical, and socioeconomic issues. Importantly, only a countable number of insects have acquired the status of crop pests, mostly due to monoculture of crop plants and polyphagous nature of the insects. We focus on A adaptations of Lepidopteran insects to phytochemicals and synthetic pesticides in native and modern agricultural systems. Because of heavy use of chemical insecticides, a strong selection pressure is imposed on insect populations, resulting in the emergence of resistance against candidate compound(s). Current knowledge suggests that insects generally implement a three-tier system to overcome the effect of toxic compounds at physiological, biochemical, and genetic levels. Furthermore, we have discussed whether the adaptation to phytochemicals provides an advantage to the insect while encountering synthetic insecticide molecules. Specific metabolic pathways employed by insects to convert deterrents into less toxic forms or their removal from the system are highlighted. Using the proteomics approach, insect proteins interacting with insecticides can be identified, and their modification in resistant insects can be characterized. Also, systems biology studies can offer useful cues to decipher the molecular networks participating in the metabolism of detrimental compounds.

}, keywords = {field crops, insect-pests, insecticide, Lepidoptera, proteomics, resistance mechanisms}, issn = {1535-3893}, doi = {10.1021/pr400642p}, author = {Dawkar, Vishal V. and Chikate, Yojana R. and Lomate, Purushottam R. and Dholakia, Bhushan B. and Gupta, Vidya S. and Giri, Ashok P.} } @article { ISI:000330159500007, title = {Molecular interactions, proton exchange, and photoinduced processes prompted by an inclusion process and a [2]pseudorotaxane formation}, journal = {Journal of Organic Chemistry}, volume = {78}, number = {18}, year = {2013}, month = {AUG}, pages = {9004-9012}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Appropriate design of the host and guest components allows formation of a novel [2]pseudorotaxane complex with an interrupted photoinduced electron transfer (PET)-coupled fluorescence resonance energy transfer (FRET) response. This is the first example of an inclusion complex with NO6-based azacrown ether as the host unit (H). Different guest molecules (G1, G2, G3, and G4) with varying stopper size are used for the studies. Unlike G1, G2, and G3, G4 with a relatively bulkier stopper fails to form a [2]pseudorotaxane complex. Isothermal titration microcaloiimetry measurements reveal a systematic increase in the association constant for H.G1, H.G2, and H.G3 with a change in the stopper size. Thermodynamic data suggest that the formation of H.G1/H.G2/H.G3 is exclusively driven by a large positive entropic gain (T Delta S = 19.69/26.80/21.81 kJ.mol(-1)), while the enthalpy change is slightly negative for H.G1/H.G3 (-2.61/-1.97 kJ.mol(-1)) and slightly positive for H.G2 (Delta H = 5.98 kJ.mol(-1)). For these three inclusion complexes, an interrupted PET-coupled FRET response is observed with varying efficiency, which is attributed to the subtle differences in acidity of the NH2+ unit of the guest molecules and thus the proton exchange ability between the host and respective guest. This is substantiated by the results of the computational studies.

}, issn = {0022-3263}, doi = {10.1021/jo400752d}, author = {Mandal, Amal Kumar and Suresh, Moorthy and Kesharwani, Manoj K. and Gangopadhyay, Monalisa and Agrawal, Manoj and Boricha, Vinod P. and Ganguly, Bishwajit and Das, Amitava} } @article { ISI:000315516400021, title = {Molecular mapping of leaf rust resistance gene Lr15 in hexaploid wheat}, journal = {Molecular Breeding}, volume = {31}, number = {3}, year = {2013}, month = {MAR}, pages = {743-747}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

Leaf rust is a widespread and commonly occurring rust disease of wheat. Genetic resistance is the most economical method of reducing losses due to leaf rust. Lr15 has been shown to be present on wheat chromosome 2D and is reported to be a seedling resistance gene. However, tightly linked markers associated with Lr15 have not been reported to date. To identify molecular markers linked to Lr15, an F-2 mapping population of Thatcher x Thatcher-Lr15 was generated. Available wheat simple sequence repeat markers were utilized in parental screening and polymorphic markers were used to analyze the entire population of 221 plants. Phenotypic evaluations of the F-2-derived F-3 progenies with Puccinia triticina Eriks. pathotype 162A (93R15) confirmed the monogenic inheritance of Lr15. The linkage group representing chromosome 2DS was constructed at LOD 4.0 which revealed the closest flanking markers Xgwm4562 and Xgwm102 at a distance of 3.1 and 9.3 cM, respectively. Furthermore, utilization of these flanking markers in combination has successfully identified wheat lines with or without Lr15. These markers could potentially be useful in gene pyramiding with other genes to enhance rust resistance in wheat.

}, keywords = {Disease resistance, Leaf rust, Marker-assisted selection, Simple sequence repeat, Wheat}, issn = {1380-3743}, doi = {10.1007/s11032-012-9813-9}, author = {Dholakia, Bhushan B. and Rajwade, A. V. and Hosmani, P. and Khan, R. R. and Chavan, S. and Reddy, D. M. R. and Lagu, Meena D. and Bansal, Urmil K. and Saini, R. G. and Gupta, V. S.} } @article { ISI:000314748100011, title = {Necking in extrusion film casting: the role of macromolecular architecture}, journal = {Journal of Rheology}, volume = {57}, number = {2}, year = {2013}, month = {MAR}, pages = {559-583}, publisher = {JOURNAL RHEOLOGY AMER INST PHYSICS}, address = {STE 1 NO 1, 2 HUNTINGTON QUADRANGLE, MELVILLE, NY 11747-4502 USA}, abstract = {

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

}, issn = {0148-6055}, doi = {10.1122/1.4788911}, author = {Pol, Harshawardhan V. and Thete, Sumeet Suresh and Doshi, Pankaj and Lele, Ashish K.} } @article { ISI:000325552900018, title = {New chemodosimetric probe for the specific detection of Hg2+ in physiological condition and its utilisation for cell imaging studies}, journal = {Dalton Transactions}, volume = {42}, number = {42}, year = {2013}, month = {JUL}, pages = {15097-15105}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A dithiane derivative of BODIPY is synthesized. This new reagent could be used for the specific and instantaneous detection of Hg2+ in physiological condition. This dithiane reagent reacts specifically with Hg2+ to regenerate the parent BODIPY-aldehyde with consequential change in visually detectable optical responses and this provides the possibility of using this reagent as a colorimetric probe or as a fluorescent biomarker/imaging reagent. Further, non-covalent interactions could be utilized for formation of an inclusion complex with biologically benign beta-cyclodextrin for enhancing its solubility in aqueous environment and this included adduct could be used as a fluorescent marker and imaging reagent for Hg2+. Uptake of Hg2+ ions in live HeLa cells, exposed to a solution having Hg2+ ion concentration as low as 2 ppb, could also be detected by confocal laser microscopic studies.

}, issn = {1477-9226}, doi = {10.1039/c3dt51744f}, author = {Saha, Sukdeb and Agarwalla, Hridesh and Gupta, Hariom and Baidya, Mithu and Suresh, E. and Ghosh, Sudip K. and Das, Amitava} } @article { ISI:000324928000035, title = {New receptor with a FRET based fluorescence response for selective recognition of fumaric and maleic acids in aqueous medium}, journal = {Chemical Communications}, volume = {49}, number = {84}, year = {2013}, month = {AUG}, pages = {9818-9820}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Preferential binding of a new reagent to fumaric acid could be utilized for its estimation in aqueous medium and in commercial fruit juice.

}, issn = {1359-7345}, doi = {10.1039/c3cc45051a}, author = {Reddy, Upendar G. and Lo, Rabindranath and Roy, Sovan and Banerjee, Tanmay and Ganguly, Bishwajit and Das, Amitava} } @article {42491, title = {Newly designed resorcinolate binding for Ru(II)- and Re(I)- polypyridyl complexes on oleic acid capped tio2 in non-aqueous solvent: prolonged charge separation and substantial thermalized 3MLCT injection}, journal = {Journal of Physical Chemistry C}, volume = {117}, year = {2013}, month = {JAN}, pages = {3084{\textendash}3092}, abstract = {

Femtosecond pump{\textendash}probe spectroscopic studies on a series of newly synthesized resorcinol-based Ru(II) and Re(I) complexes on oleic acid capped TiO2 nanoparticles have been carried out in chloroform, and the results are compared with those of the catechol analogues. The ruthenium complex shows biexponential injection; the second component arises due to injection from the thermally equilibrated 3MLCT states as a result of a weaker strength of the resorcinolate binding. Also, in comparison with catechol binding, as a result of a greater diffusion of the injected electrons into TiO2, the back electron transfer (BET) is slowed down significantly for the ruthenium complex. These are distinctive observations for any mononuclear ruthenium{\textendash}polypyridyl{\textendash}enediol complex reported thus far. However, the rhenium complex educes single exponential ultrafast injection (\<120 fs) because of apparent injection in a high density of states and shows the most prominent results with \~{}50\% slowdown in the charge recombination rate as compared to the analogous catechol bound system. These results exemplify the probable development of highly capable sensitizer dyes with resorcinol as the anchoring group for the development of efficient dye-sensitized solar cells.

}, doi = {10.1021/jp310570n}, author = {Banerjee, Tanmay and Kaniyankandy, Sreejith and Das, Amitava and Ghosh, Hirendra Nath} } @article { ISI:000314381700030, title = {One-pot synthesis of gold nanoparticle/molybdenum cluster/graphene oxide nanocomposite and its photocatalytic activity}, journal = {Applied Catalysis B-Environmental}, volume = {130}, year = {2013}, month = {FEB}, pages = {270-276}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The paper reports on a facile one-pot synthesis of a tri-component gold nanoparticle/molybdenum cluster/graphene oxide (AuNPs@Mo-GO) nanohybrid composite. The synthetic methodology consists on direct UV irradiation of an aqueous solution containing graphene oxide (GO), Na-2[Mo6Br8(N-3)(6)], HAuCl4 center dot 3H(2)O and isopropanol at room temperature in air using a UV fiber lamp. The composite material exhibits very high photocatalytic activity for the degradation of rhodamine B under visible light irradation. The resulting nanohybrid material was characterized using Raman spectroscopy, UV-vis spectrometry, transmission electron microscopy (TEM) and X-ray photoelectron spectroscopy (XPS). (c) 2012 Elsevier B.V. All rights reserved.

}, keywords = {gold nanoparticles, graphene oxide, Nanohybrid, Photodegradation, Rhodamine B, visible light, [Mo6Br8(N-3)(6)](2-)cluster}, issn = {0926-3373}, doi = {10.1016/j.apcatb.2012.11.017}, author = {Barras, Alexandre and Das, Manash R. and Devarapalli, Rami Reddy and Shelke, Manjusha V. and Cordier, Stephane and Szunerits, Sabine and Boukherroub, Rabah} } @article { ISI:000314368200002, title = {Optically pure gamma-butyrolactones and epoxy esters via two stereocentered HKR of 3-substituted epoxy esters: a formal synthesis of (-)-paroxetine, Ro 67-8867 and (+)-eldanolide}, journal = {Organic \& Biomolecular Chemistry}, volume = {11}, number = {8}, year = {2013}, month = {JAN}, pages = {1280-1285}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The HKR of racemic anti- or syn-3-substituted epoxy esters catalyzed by a Co(III)salen complex provides ready access to the corresponding enantioenriched 3,4-disubstituted gamma-butyrolactones and 3-substituted epoxy esters. This strategy has been successfully employed in the formal synthesis of biologically active 3,4-disubstituted piperidine derivatives, (-)-paroxetine and Ro 67-8867 and a natural product, (+)-eldanolide.

}, issn = {1477-0520}, doi = {10.1039/c3ob27321k}, author = {Devalankar, Dattatray A. and Karabal, Pratibha U. and Sudalai, Arumugam} } @article { ISI:000315968900025, title = {Organophotocatalysis in nanostructured soft gel materials as tunable reaction vessels: comparison with homogeneous and micellar solutions}, journal = {Journal of Materials Chemistry A}, volume = {1}, number = {14}, year = {2013}, month = {FEB}, pages = {4577-4588}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Riboflavin tetraacetate-catalyzed aerobic photooxidation of 1-(4-methoxyphenyl)ethanol was investigated as a model reaction under blue visible light in different soft gel materials, aiming to establish their potential as reaction vessels for photochemical transformations. Three strategies involving different degrees of organization of the catalyst within the gel network were explored, and the results compared to those obtained in homogeneous and micellar solutions. In general, physical entrapment of both the catalyst and the substrate under optimized concentrations into several hydrogel matrices (including low-molecular-weight and biopolymer-based gels) allowed the photooxidation with conversions between 55 and 100\% within 120 min (TOF similar to 0.045-0.08 min(-1); k(obs) similar to 0.011-0.028 min(-1)), albeit with first-order rates ca. 1-3-fold lower than in solution under comparable non-stirred conditions. Remarkably, the organogel made of a cyclohexane-based bisamide gelator in CH3CN not only prevented the photodegradation of the catalyst but also afforded full conversion in less than 60 min (TOF similar to 0.167 min(-1); k(obs) similar to 0.073 min(-1)) without the need of additional proton transfer mediators (e. g., thiourea) as it occurs in CH3CN solutions. In general, the gelators could be recycled without detriment to their gelation ability and reaction rates. Moreover, kinetics could be fine-tuned according to the characteristics of the gel media. For instance, entangled fibrillar networks with relatively high mechanical strength were usually associated with lower reaction rates, whereas wrinkled laminated morphologies seemed to favor the reaction. In addition, the kinetics results showed in most cases a good correlation with the aeration efficiency of the gel media.

}, issn = {2050-7488}, doi = {10.1039/c3ta01109g}, author = {Bachl, Jurgen and Hohenleutner, Andreas and Dhar, Basab Bijayi and Cativiela, Carlos and Maitra, Uday and Koenig, Burkhard and Diaz, David Diaz} } @article { ISI:000209465100066, title = {Oxidoreductase from {\textquoteleft}Alphonso{\textquoteright} mango catalyzing biosynthesis of furaneol and reduction of reactive carbonyls}, journal = {SpringerPlus}, volume = {2}, year = {2013}, month = {OCT}, pages = {494}, publisher = {SPRINGER INTERNATIONAL PUBLISHING AG}, type = {Article}, address = {GEWERBESTRASSE 11, CHAM, CH-6330, SWITZERLAND}, abstract = {

Two furanones, furaneol (4-hydroxy-2,5-dimethyl-3(2H)-furanone) and mesifuran (2,5-dimethyl-4-methoxy-3(2H)-furanone), are important constituents of flavor of the Alphonso cultivar of mango (Mangifera indica). To get insights into the biosynthesis of these furanones, we isolated an enone oxidoreductase gene from the Alphonso mango. It has high sequence similarity to an alkenal/one oxidoreductase from cucumber (79\% identity) and enone oxidoreductases from tomato (73\% identity) and strawberry (72\% identity). The complete open reading frame was expressed in E. coli and the (his) 6-tagged recombinant protein was purified by affinity chromatography. The purified protein assayed with NADH as a reducing agent converted D-fructose-1,6-diphosphate into furaneol, the immediate precursor of mesifuran. The enzyme was also able to convert two highly reactive carbonyls, 3-buten-2-one and 1-penten-3-one, produced by lipid peroxidation in plants, into their saturated derivatives. Expression profiling in various ripening stages of Alphonso fruits depicted an expression maxima at 10 days after harvest stage, shortly before the appearance of the maximum amount of furanones (completely ripe stage, 15 days after harvest). Although no furanones were detected at the 0 day after harvest stage, significant expression of this gene was detected in the fruits at this stage. Overall, the results suggest that this oxidoreductase plays important roles in Alphonso mango fruits.

}, keywords = {Detoxification, Enone oxidoreductase, Flavor, Mangifera indica, Ripening}, issn = {2193-1801}, doi = {10.1186/2193-1801-2-494}, author = {Kulkarni, Ram and Chidley, Hemangi G. and Deshpande, Ashish and Schmidt, Axel and Pujari, Keshav and Giri, Ashok P. and Gershenzon, Jonathan and Gupta, Vidya} } @article { ISI:000320929200041, title = {Pd ultra-small clusters as precursors for silica-encapsulated Pd nanoreactors: highly sinter-resistant catalysts}, journal = {Chemcatchem}, volume = {5}, number = {7}, year = {2013}, month = {JUL}, pages = {1911-1916}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

Sintering and consequent deactivation in supported metal catalysts is a severe problem encountered in heterogeneous catalysis. This problem can be addressed by encapsulating active metal nanoparticles within inert oxides such as silica, provided the oxide shell is porous to enable access of reactant molecules to the nanoparticle surface to facilitate catalysis. We report the synthesis of highly sinter-resistant silica-encapsulated Pd catalysts with nanoparticle sizes stabilized at (3.4 +/- 0.6)nm at high temperatures of approximately 750 degrees C. The synthesis was achieved by utilizing thiol-protected ultra-small clusters of Pd as precursors for silica encapsulation. The ultra-small clusters were synthesized by using propyl ammonium functionalised thiols making them water-dispersible and amenable for silica encapsulation. Abundance of organics also aided in creating porosity subsequent to calcination at high temperatures.

}, keywords = {cluster compounds, Encapsulation, nanoreactors, Palladium, silicates}, issn = {1867-3880}, doi = {10.1002/cctc.201200908}, author = {Samanta, Anupam and Devi, R. Nandini} } @article { ISI:000326355100005, title = {Performance of the EOMIP-CCSD(2) method for determining the structure and properties of doublet radicals: a benchmark investigation}, journal = {Journal of Chemical Theory and Computation}, volume = {9}, number = {10}, year = {2013}, month = {OCT}, pages = {4313-4331}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

We present a benchmark study on the performance of the EOMIP-CCSD(2) method for computation of structure and properties of doublet radicals. The EOMIP-CCSD(2) method is a second-order approximation to the standard EOMIP-CCSD method. By retaining the black box nature of the standard EOMIP-CCSD method and adding favorable N-5 scaling, the EOMIP-CCSD(2) method can become the method of choice for predicting the structure and spectroscopic properties of large doublet radicals. The EOMIP-CCSD(2) method overcomes the typical problems associated with the standard single reference ab initio treatment of doublet radicals. We compare our results for geometries and harmonic vibrational frequencies with those obtained using the standard EOMIP-CCSD method, as well as unrestricted Hartree-Fock (UHF)- and restricted open-shell Hartree-Fock (ROHF)-based single-reference coupled-cluster and second order many-body perturbation theory (MBPT(2)) methods. The effect of the basis set on the quality of the results has been studied using a hierarchy of Dunning{\textquoteright}s correlation-consistent aug-cc-pVXZ (X = D, T, Q) basis sets. Numerical results show that the EOMIP-CCSD(2) method, despite its N-5 scaling, gives better agreement with experimental results, compared to the UHF- and ROHF-based MBPT(2), as well as the single-reference coupled-cluster methods.

}, issn = {1549-9618}, doi = {10.1021/ct400316m}, author = {Dutta, Achintya Kumar and Vaval, Nayana and Pal, Sourav} } @article { ISI:000325392000050, title = {Perturbative approximations to single and double spin flip equation of motion coupled cluster singles doubles methods}, journal = {Journal of Chemical Physics}, volume = {139}, number = {12}, year = {2013}, month = {SEP}, pages = {124116}, publisher = {AMER INST PHYSICS}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {

Spin flip equation of motion coupled cluster (EOM-SF-CC) can correctly treat situations involving electronic degeneracies or near degeneracies, e. g., bond breaking, di- and tri-radicals, etc. However, for large systems EOM-SF-CC (even in single and double excitations) is computationally prohibitively expensive. Therefore, earlier approximations to EOM-SF-CC methods such as spin flip configuration interaction singles with perturbative doubles (SF-CIS(D)) have been proposed. In this work, we present a new perturbative approximation to EOM-SF-CC, which has been found to be more accurate than SF-CIS(D). The capabilities, advantages, and timings of the new approach have been demonstrated considering the singlet-triplet gaps in di- and triradicals as well as bond breaking examples. The method is extended to double spin flip EOM-CC and its capabilities have been tested. (C) 2013 AIP Publishing LLC.

}, issn = {0021-9606}, doi = {10.1063/1.4821936}, author = {Dutta, Achintya Kumar and Pal, Sourav and Ghosh, Debashree} } @article { ISI:000327920600003, title = {Phytase isozymes from aspergillus niger NCIM 563 under solid state fermentation: biochemical characterization and their correlation with submerged phytases}, journal = {Process Biochemistry}, volume = {48}, number = {11}, year = {2013}, month = {NOV}, pages = {1618-1625}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Aspergillus niger NCIM 563 produces dissimilar phytase isozymes under solid state and submerged fermentation conditions. Biochemical characterization and applications of phytase Phy III and Phy IV in SSF and their comparison with submerged fermentation Phy I and Phy III were studied. SSF phytases have a higher metabolic potential as compared to SmF. Phy I is tetramer and Phy II, III and IV are monomers. Phy I and IV have pH optima of 2.5 and Phy II and III have pH optima of 5.0 and 5.6, respectively. Phy I, III and IV exhibited very broad substrate specificity while Phy II was more specific for sodium phytate. SSF phytase is less thermostable as compared to SmF phytase. Phy land II show homology with other known phytases while Phy III and IV show no homology with SmF phytases and any other known phytases from the literature suggesting their unique nature. This is the first report about differences among phytase produced under SSF and SmF by A. niger and this study provides basis for explanation of the stability and catalytic differences observed for these enzymes. Exclusive biochemical characteristics and multilevel application of SSF native phytases determine their efficacy and is exceptional. (C) 2013 Elsevier Ltd. All rights reserved.

}, keywords = {A. niger, Isozymes, Phytase, Solid state fermentation, Submerged fermentation}, issn = {1359-5113}, doi = {10.1016/j.procbio.2013.08.001}, author = {Bhavsar, Kavita P. and Buddhiwant, Priyanka and Soni, Sarvesh K. and Depan, Dilip and Sarkar, Sampa and Khire, Jayant Malhar} } @article {42702, title = {PNN-Ru pincer complexes based on phosphinated 2,2{\textquoteright}-dipyridinemethane- and 2,2{\textquoteright}-oxobispyridine. metal-ligand cooperation in cyclometallation and catalysis}, journal = {Organometallics}, volume = {32}, year = {2013}, month = {MAY}, pages = {2973{\textendash}2982}, abstract = {

The synthesis of novel PNN ruthenium pincer complexes based on 2,2'-dipyridinemethane phosphine derivatives, as well as on 2,2'-oxobispyridine phosphine ligands, and their reactivity toward dearomatization and cyclometalation are described. The dearomatized compounds 7a,b undergo cyclometalation to yield complexes 8a,b. In order for cyclometalation to proceed, the coordination sphere around the Ru center has to rearrange, and this depends on the flexibility of the system, showing that the cyclometalation is qualitatively faster in the case of the dimethyl derivative 7a than in the case of the spyrocyclopentyl derivative 7b. The cyclometalation occurs diastereoselectively and leads to only one diastereomer of the cyclometalated compounds. In the case of the 2,2'-oxobispyridine complex 6c, the dearomatized complex was too unstable to be isolated; however it was possible to isolate and characterize a stable dicarbonyl-dearomatized ruthenium(II) complex, 9c, when the deprotonation was performed under a CO atmosphere. Dearomatization of 6a under CO also led to dicarbonyl-dearomatized ruthenium(II) complex 9a, which slowly rearranged into the dicarbonyl-aromatized ruthenium(0) complex 10a. These complexes were tested in catalytic alcohol{\textendash}amine coupling, esterification of primary alcohols, and hydrogenation of secondary amides. Moderate activity was observed in hydrogenation of amides to alcohols and amines and low activity in the other transformations, owing mainly to the formation of stable cyclometalated compounds.

}, doi = {10.1021/om400194w}, author = {Barrios-Francisco, Rigoberto and Balaraman, Ekambaram and Diskin-Posner, Yael and Leitus, Gregory and Shimon, Linda J. W. and Milstein, David} } @article { ISI:000315370000010, title = {Polyproline fold-In imparting kinetic stability to an alkaline serine endopeptidase}, journal = {Biochimica Et Biophysica Acta-Proteins and Proteomics}, volume = {1834}, number = {3}, year = {2013}, month = {MAR}, pages = {708-716}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Polyproline II (PPII) fold, an unusual structural element was detected in the serine protease from Nocardiopsis sp. NCIM 5124 (NprotI) based on far UV circular dichroism spectrum, structural transitions of the enzyme in presence of GdnHCl and a distinct isodichroic point in chemical and thermal denaturation. The functional activity and conformational transitions of the enzyme were studied under various denaturing conditions. Enzymatic activity of NprotI was stable in the vicinity of GdnHCl upto 6.0 M concentration, organic solvents viz, methanol, ethanol, propanol (all 90\% v/v), acetonitrile (75\% v/v) and proteases such as trypsin, chymottypsin and proteinase K (NprotI:protease 10:1). NprotI seems to be a kinetically stable protease with a high energy barrier between folded and unfolded states. Also, an enhancement in the activity of the enzyme was observed in 1 M GdnHCl upto 8 h, in organic solvents (75\% v/v) for 72 h and in presence of proteolytic enzymes. The polyproline fold remained unaltered or became more prominent under the above mentioned conditions. However, it diminished gradually during thermal denaturation above 60 degrees C. Thermal transition studies by differential scanning calorimetry (DSC) showed scan rate dependence as well as irreversibility of denaturation, the properties characteristic of kinetically stable proteins. This is the first report of PPII helix being the global conformation of a non structural protein, an alkaline serine protease, from a microbial source, imparting kinetic stability to the protein. (C) 2013 Elsevier B.V. All rights reserved.

}, keywords = {Conformation, differential scanning calorimetry, Kinetic stability, Nocardiopsis sp., Polyproline fold, Serine protease}, issn = {1570-9639}, doi = {10.1016/j.bbapap.2012.12.007}, author = {Rohamare, Sonali B. and Dixit, Vaishali and Nareddy, Pavan Kumar and Sivaramakrishna, D. and Swamy, Musti J. and Gaikwad, Sushama M.} } @article { ISI:000316624600020, title = {POM-catalyzed in situ ligand synthesis for the construction of metal complexes and their use in the formation of coordination polymers}, journal = {Chemphyschem}, volume = {14}, number = {5}, year = {2013}, month = {APR}, pages = {1009-1015}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

Six organicinorganic hybrid materials were synthesized by the in situ oxidation of neocuproine by using MoO3/Na2MoO4 as the catalyst in the presence of Cu(NO3)2. The crystal structures of Mo8-Cu4-PHEN and Mo8-Cu2-5(2PIC) are composed of [Mo8O26]4 polyoxometalate (POM) units, whereas the crystal structure of Mo6-Cu-COPHEN is composed of a [Mo6O19]2 POM unit; both POM units could be considered as the active form of the catalyst. Reaction of the hybrid materials with 1,3,5-benzenetricarboxylic acid (BTC) resulted in the formation of two different coordination polymers (CPs) under different reaction conditions. These CPs, depending on their structural attributes, exhibit distinct differences in the adsorption of H2, CO2, and water. The use of 2-methylpyridine instead of neocuproine does not give any oxidation products under the same reaction conditions due to the incorrect positioning of the methyl group with respect to the CuII center.

}, keywords = {coordination polymers, Copper, N ligands, organicinorganic hybrid composites, polyoxometalates}, issn = {1439-4235}, doi = {10.1002/cphc.201201019}, author = {Dey, Chandan and Banerjee, Rahul} } @article { ISI:000313263300022, title = {Porous-organic-framework-templated nitrogen-rich porous carbon as a more proficient electrocatalyst than Pt/C for the electrochemical reduction of oxygen}, journal = {Chemistry-A European Journal}, volume = {19}, number = {3}, year = {2013}, month = {JAN}, pages = {974-980}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

Porous nitrogen-rich carbon (POF-C-1000) that was synthesized by using a porous organic framework (POF) as a self-sacrificing host template in a nanocasting process possessed a high degree of graphitization in an ordered structural arrangement with large domains and well-ordered arrays of carbon sheets. POF-C-1000 exhibits favorable electrocatalytic activity for the oxygen-reduction reaction (ORR) with a clear positive shift of about 40 mV in the onset potential compared to that of a traditional, commercially available Pt/C catalyst. In addition, irrespective of its moderate surface area (785 m2?g-1), POF-C-1000 showed a reasonable H2 adsorption of 1.6 wt?\% (77 K) and a CO2 uptake of 3.5 mmol?g-1 (273 K).

}, keywords = {Adsorption, Electrochemistry, fuel cells, oxygen-reduction reaction, porous organic frameworks}, issn = {0947-6539}, doi = {10.1002/chem.201202940}, author = {Pachfule, Pradip and Dhavale, Vishal M. and Kandambeth, Sharath and Kurungot, Sreekumar and Banerjee, Rahul} } @article { ISI:000323842900082, title = {Preparation-method-dependent morphological, band structural, microstructural, and photocatalytic properties of noble metal-GaNbO4 nanocomposites}, journal = {RSC Advances}, volume = {3}, number = {37}, year = {2013}, month = {JUL}, pages = {16817-16828}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

We report the distinct physicochemical and photophysical properties of gallium niobate photocatalysts (bandgap: similar to 3.1 eV), prepared by a solid-state (SS) reaction and sol-gel (SG) method and dispersed with a noble metal (similar to 0.5\% of Pt, Au, or RuOx) cocatalyst. SG-GaNbO4 comprised smaller size particles (similar to 20-50 nm) and a larger surface area (similar to 160 m(2) g(-1)) compared to SS-GaNbO4 (particle size similar to 30-150 nm, surface area similar to 27 m(2) g(-1)). XRD patterns revealed a preparation-dependent variation in the relative intensity of prominent reflections. In TEM examination, SG samples exhibited small-range grain boundaries and heterogeneous metal/substrate interfacial contacts, while SS-GaNbO4 had long-range ordering. Laser-Raman and thermoluminescence investigations revealed that lattice distortion, defect-induced inter-bandgap charge trapping states, and the local environment around the metal/semiconductor interfaces may also depend on the preparation method. Metal-GaNbO4 nanocomposites showed no activity for the dissociation of pure water under UV (\>250 nm) irradiation, despite the favourable conduction and valence band potentials. This was attributed to the sharp Ga and Nb d-levels in the narrow conduction band of GaNbO4, as confirmed by ab initio electronic structure calculation. These photocatalysts, however, showed good activity for semiconductor-mediated photo-dissociation of aqueous methanol to produce H-2; a cocatalyst-dependent activity trend, Pt \> RuOx \> Au, was observed. Doping of S at similar to 5\% of the oxygen sites led to decreased photoactivity, ascribed to the presence of localized S 3p states just above the O 2p valence level. In conclusion, besides band characteristics, certain morphological and microstructural properties play a crucial role in the photoactivity of the metal/oxide nanocomposites.

}, issn = {2046-2069}, doi = {10.1039/c3ra43477j}, author = {Devi, Suman and Kelkar, Sarika A. and Kashid, Vikas and Salunke, Hemant G. and Gupta, Narendra M.} } @article { ISI:000315478700010, title = {Proline catalyzed alpha-aminoxylation reaction in the synthesis of biologically active compounds}, journal = {Accounts of Chemical Research}, volume = {46}, number = {2}, year = {2013}, month = {FEB}, pages = {289-299}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The search for new and efficient ways to synthesize optically pure compounds is an active area of research in organic synthesis. Asymmetric catalysis provides a practical, cost-effective, and efficient method to create a variety of complex natural products containing multiple stereocenters. In recent years, chemists have become more interested in using small organic molecules to catalyze organic reactions. As a result, organocatalysis has emerged both as a promising strategy and as an alternative to catalysis with expensive proteins or toxic metals. One of the most successful and widely studied secondary amine-based organocatalysts is proline. This small molecule can catalyze numerous reactions such as the aldol, Mannich, Michael addition, Robinson annulation, Diels-Alder, alpha-functionalization, alpha-amination, and alpha-aminoxylation reactions. Catalytic and enantioselective alpha-oxygenation of carbonyl compounds is an important reaction to access a variety of useful building blocks for bioactive molecules. Proline catalyzed alpha-aminoxylation using nitrosobenzene as oxygen source, followed by in situ reduction, gives enantiomerically pure 1,2-diol. This molecule can then undergo a variety of organic reactions. In addition, proline organocatalysis provides access to an assortment of biologically active natural products including mevinoline (a cholesterol lowering drug), tetrahydrolipstatin (an antiobesity drug), R(+)-alpha-lipoic acid, and bovidic acid. In this Account, we present an iterative organocatalytic approach to synthesize both syn- and anti-1,3-polyols, both enantio- and stereoselectively. This method is primarily based on proline-catalyzed sequential alpha-aminoxylation and Horner-Wadsworth-Emmons (HWE) olefination of aldehyde to give a gamma-hydroxy ester. In addition, we briefly illustrate the broad application of our recently developed strategy for 1,3-polyols, which serve as valuable, enantiopure building blocks for polyketides and other structurally diverse and complex natural products. Other research groups have also applied similar strategies to prepare such bioactive molecules as littoralisone, brasoside and (+)-cytotrienin A. Among the various synthetic approaches reported for 1,3-polyols, our organocatalytic iterative approach appears to be very promising and robust. This method combines the merit of organocatalytic reaction with an easy access to both enantiomerically pure forms of proline, mild reaction conditions, and tolerance to both air and moisture. In this Account, we present the latest applications of organocatalysis and how organic chemists can use this new tool for the total synthesis of complex natural products

}, issn = {0001-4842}, doi = {10.1021/ar300135u}, author = {Kumar, Pradeep and Dwivedi, Namrata} } @article { ISI:000318213800029, title = {Promising stability of gold-based catalysts prepared by direct anionic exchange for DeNO (x) applications in lean burn conditions}, journal = {Topics in Catalysis}, volume = {56}, number = {1-8}, year = {2013}, note = {9th International Congress on Catalysis and Automotive Pollution Control (CAPoC), Brussels, BELGIUM, AUG 29-31, 2012}, month = {MAY}, pages = {157-164}, publisher = {SPRINGER/PLENUM PUBLISHERS}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Supported gold catalysts on gamma-Al2O3 have been investigated in the catalytic reduction of NO (x) in simulated Diesel exhaust gas conditions. Different parameters have been examined essentially the mode of gold incorporation via classical deposition-precipitation and anionic exchange methods and the nature of the pre-activation thermal treatment. The resistance to thermal ageing under reactive conditions at 500 A degrees C was found completely different with a significant rate enhancement on anionic-exchange samples. Further comparisons also show that the nature of the pre-activation thermal treatment influences the extent of surface reconstructions during thermal ageing with a detrimental effect of reductive pre-treatment on the catalytic performances.

}, keywords = {Anionic-exchange, Au/Al2O3 catalyst, Deposition-precipitation, NOx abatement, Selective catalytic reduction}, issn = {1022-5528}, doi = {10.1007/s11244-013-9946-z}, author = {Nguyen, D. -L. and Shubhangi B. Umbarkar and Dongare, Mohan K. and Lancelot, Christine and Girardon, J. S. and Dujardin, Christophe and Granger, P.} } @article { ISI:000325608800002, title = {Proteome wide reduction in AGE modification in streptozotocin induced diabetic mice by hydralazine mediated transglycation}, journal = {Scientific Reports}, volume = {3}, year = {2013}, month = {OCT}, pages = {2941}, publisher = {NATURE PUBLISHING GROUP}, address = {MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND}, abstract = {

The non-enzymatic reaction between glucose and protein can be chemically reversed by transglycation. Here we report the transglycation activity of hydralazine using a newly developed MALDI-TOF-MS based assay. Hydralazine mediated transglycation of HbA1c, plasma proteins and kidney proteins was demonstrated in streptozotocin (STZ) induced diabetic mice, as evidenced by decrease in protein glycation, as well as presence of hydralazine-glucose conjugate in urine of diabetic mice treated with hydralazine. Hydralazine down regulated the expression of Receptor for Advanced Glycation End products (RAGE), NADPH oxidase (NOX), and super oxide dismutase (SOD). These findings will provide a new dimension for developing intervention strategies for the treatment of glycation associated diseases such as diabetes complications, atherosclerosis, and aging.

}, issn = {2045-2322}, doi = {10.1038/srep02941}, author = {Kesavan, Suresh K. and Bhat, Shweta and Golegaonkar, Sandeep B. and Jagadeeshaprasad, Mashanipalya G. and Deshmukh, Arati B. and Patil, Harshal S. and Bhosale, Santosh D. and Shaikh, Mahemud L. and Thulasiram, Hirekodathakallu V. and Boppana, Ramanamurthy and Kulkarni, Mahesh J.} } @article { ISI:000313764300025, title = {Proteomic study reveals downregulation of apolipoprotein A1 in plasma of poorly controlled diabetes: a pilot study}, journal = {Molecular Medicine Reports}, volume = {7}, number = {2}, year = {2013}, month = {FEB}, pages = {495-498}, publisher = {SPANDIDOS PUBL LTD}, address = {POB 18179, ATHENS, 116 10, GREECE}, abstract = {

Proteomic approaches aid in gaining a better understanding of the pathophysiology of diabetic complications. In view of this, differential protein expression in diabetic plasma samples was studied by a combination of proteomic and western blot analyses. Diabetic plasma samples were categorized based on glycated haemoglobin levels as controlled diabetes (CD; 7-8\%), poorly controlled diabetes (PCD; \>8\%) and non-diabetic control (ND;\<6.4\%). Two-dimensional electrophoresis and liquid chromatography-mass spectrometry revealed differential expression of proteins including upregulation of fibrinogen and haptoglobin and downregulation of vitamin D binding protein, alpha-1-antitrypsin, transthyretin and apolipoprotein A1 (Apo A1) in diabetic compared with non-diabetic plasma samples. Amongst these proteins, Apo A1 downregulation was prominent in PCD. Downregulation of Apo A1 may serve as an early predictive marker of diabetic complications.

}, keywords = {biomarker, HbA1c, proteomics}, issn = {1791-2997}, doi = {10.3892/mmr.2012.1223}, author = {Bhonsle, Hemangi S. and Korwar, Arvind M. and Chougale, Ashok D. and Kote, Sachin S. and Dhande, Nitin L. and Shelgikar, Kishore M. and Kulkarni, Mahesh J.} } @article { ISI:000321431600027, title = {Proton-conducting supramolecular metallogels from the lowest molecular weight assembler ligand: a quote for simplicity}, journal = {Chemistry-A European Journal}, volume = {19}, number = {29}, year = {2013}, month = {JUL}, pages = {9562-9568}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

Oxalic acid has been proven to be the lowest molecular weight organic ligand able to form robust supramolecular metallogel networks in the presence of metal salts. In particular, two novel multifunctional metallogels were readily prepared at room temperature by simple mixing of stock solutions of Cu-II acetate monohydrate or Cu-II perchlorate hexahydrate and oxalic acid dihydrate. Formation of different polymorphs and unprecedented proton conduction under anhydrous conditions were also demonstrated with some of these materials.

}, keywords = {Copper, low-molecular-weight ligands, metallogels, proton conductivity, supramolecular chemistry}, issn = {0947-6539}, doi = {10.1002/chem.201204542}, author = {Saha, Subhadeep and Schoen, Eva-Maria and Cativiela, Carlos and Diaz, David Diaz and Banerjee, Rahul} } @article { ISI:000327175500054, title = {Reactivity umpolung in intramolecular ring closure of 3,4-disubstituted butenolides: diastereoselective total synthesis of paeonilide}, journal = {Organic Letters}, volume = {15}, number = {22}, year = {2013}, month = {NOV}, pages = {5826-5829}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Remarkable reactivity reversal stratagem in 3,4-disubstituted butenolides under acidic conditions is described. Design of a suitably substituted multifunctional butenolide followed by an acid-catalyzed chemo- and diastereoselective intramolecular ring closure via the reactivity umpolung has been demonstrated to accomplish a concise total synthesis of paeonilide. Overall, the present protocol involves one-pot reduction of an a,alpha,beta-unsaturated carbon carbon double bond and intramolecular nucleophilic insertion of oxygen function at the electron-rich gamma-position of butenolide. The involved mechanistic aspects have also been discussed.

}, issn = {1523-7060}, doi = {10.1021/ol4028804}, author = {Deore, Prashant S. and N. P. Argade} } @article {42620, title = {Resistome analysis of mycobacterium tuberculosis: identification of aminoglycoside 2{\textquoteright}-nacetyltransferase (AAC) as co-target for drug desigining}, journal = {Bioinformation}, volume = {9}, year = {2013}, month = {FEB}, pages = {174-181}, abstract = {

The emergence of multidrug resistant tuberculosis (MDRTB) highlights the urgent need to understand the mechanisms of resistance to the drugs and to develop a new arena of therapeutics to treat the disease. Ethambutol, isonazid, pyrazinamide, rifampicin are first line of drugs against TB, whereas aminoglycoside, polypeptides, fluoroquinolone, ethionamide are important second line of bactericidal drugs used to treat MDRTB, and resistance to one or both of these drugs are defining characteristic of extensively drug resistant TB. We retrieved 1,221 resistant genes from Antibiotic Resistance Gene Database (ARDB), which are responsible for resistance against first and second line antibiotics used in treatment of Mycobacterium tuberculosis infection. From network analysis of these resistance genes, 53 genes were found to be common. Phylogenetic analysis shows that more than 60\% of these genes code for acetyltransferase. Acetyltransferases detoxify antibiotics by acetylation, this mechanism plays central role in antibiotic resistance. Seven acetyltransferase (AT-1 to AT-7) were selected from phylogenetic analysis. Structural alignment shows that these acetyltransferases share common ancestral core, which can be used as a template for structure based drug designing. From STRING analysis it is found that acetyltransferase interact with 10 different proteins and it shows that, all these interaction were specific to M. tuberculosis. These results have important implications in designing new therapeutic strategies with acetyltransferase as lead co-target to combat against MDR as well as Extreme drug resistant (XDR) tuberculosis.

}, doi = {10.6026/97320630009174}, author = {Joshi R. S. and Jamdhade M. D. and Sonawane M. S. and Giri, Ashok P.} } @article { ISI:000326319800045, title = {Role of metal ion in specific recognition of pyrophosphate ion under physiological conditions and hydrolysis of the phosphoester linkage by alkaline phosphatase}, journal = {Inorganic Chemistry}, volume = {52}, number = {19}, year = {2013}, month = {OCT}, pages = {11034-11041}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Complexes synthesized from Zn(II), Cu(II), and Cd(II), using a dipicolyl amine derivative (L), showed unique specificity toward pyrophosphate ion (PPi or P4O74-) among all other common anionic analytes, including different biologically significant phosphate ion (PO43-, H2PO42-) or phosphate-ion-based nucleotides, such as AMP, ADP, ATP, and CTP. However, the relative affinities of PPi toward these three metal complexes were found to vary and follow the order K-a(L.Zn-PPi) \> are given in units of (L.Cu-PPi)(a) \>= K-a(L.Cd-PPi). Luminescence responses of the receptor L were substantial on binding to Zn2+ and Cd2+, while relatively a much smaller luminescence response was observed in the presence of Cu2+. Luminescence responses of L.M-PPi (M is Zn2+, Cd2+, and Cu2+) were further modified on binding to the PPi ion. This could be utilized for quantitative detection of PPi in physiological condition as well as for developing a real time {\textquoteleft}{\textquoteleft}turn-on{\textquoteright}{\textquoteright} (for L.Zn and L.Cu) and {\textquoteleft}{\textquoteleft}turn-off{\textquoteright}{\textquoteright} (for L.Cd) fluorescence assay for evaluating the enzymatic activity of alkaline phosphatase (ALP). Experimental results revealed how the subtle differences in the binding affinities between PPi and M in L.M (M is Zn2+, Cd2+, and Cu2+), could influence the cleavage of the phosphoester linkage in PPi by ALP. The DFT calculations further revealed that the hydrolytic cleavage of the metal ion coordinated phosphoester bond is kinetically faster than that for free PPi and thus, rationalized the observed difference in the cleavage of the phosphoester bond by an important mammalian enzyme such as ALP in the presence of different metal complexes.

}, issn = {0020-1669}, doi = {10.1021/ic401243h}, author = {Das, Priyadip and Chandar, Nellore Bhanu and Chourey, Shishir and Agarwalla, Hridesh and Ganguly, Bishwajit and Das, Amitava} } @article { ISI:000329137400042, title = {Selective imaging of quorum sensing receptors in bacteria using fluorescent Au nanocluster probes surface functionalized with signal molecules}, journal = {ACS Applied Materials \& Interfaces}, volume = {5}, number = {24}, year = {2013}, month = {DEC}, pages = {13076-13081}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Fluorescent ultrasmall gold clusters decorated with bacterial quorum sensing signal molecules, acyl homoserine lactone, are synthesized. These fluorescent probes are found to have emission in the near-infrared spectral region advantageous for bioimaging. Imaging studies using different. strains of bacteria with and without acyl homoserine lactone receptors with the aid of confocal microscopy have shown that the probe interacts preferentially with cells possessing these receptors. This indicates that, with appropriate surface functionalization, the Au clusters can be used for receptor specific detection with enhanced selectivity.

}, keywords = {Au nanoclusters, Biosensor, fluorescence imaging, quorum sensing}, issn = {1944-8244}, doi = {10.1021/am404093m}, author = {Mukherji, Ruchira and Samanta, Anupam and Illathvalappil, Rajith and Chowdhury, Somak and Prabhune, Asmita and Devi, R. Nandini} } @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 {43232, title = {Sensing behavior of atomically thin-layered MoS2 transistors}, journal = {ACS Nano}, volume = {7}, year = {2013}, month = {JUN}, pages = {4879-4891}, abstract = {Most of recent research on layered chalcogenides is understandably focused on single atomic layers. However, it is unclear if single-layer units are the most ideal structures for enhanced gas solid interactions. To probe this issue further, we have prepared large-area MoS2 sheets ranging from single to multiple layers on 300 nm SiO2/Si substrates using the micromechanical exfoliation method. The thickness and layering of the sheets were identified by optical microscope, invoking recently reported specific optical color contrast, and further confirmed by AFM and Raman spectroscopy. The MoS2 transistors with different thicknesses were assessed for gas-sensing performances with exposure to NO2, NH3, and humidity in different conditions such as gate bias and light Irradiation. The results show that, compared to the single-layer counterpart, transistors of few MoS2 layers exhibit excellent sensitivity, recovery, and ability to be manipulated by gate bias and green light. Further, our ab initio DFT calculations on single-layer and bilayer MoS2 show that the charge transfer is the reason for the decrease in resistance in the presence of applied field.}, doi = {10.1021/nn400026u}, author = {Late, Dattatray J. and Huang, Yi-Kai and Liu, Bin and Acharya, Jagaran and Shirodkar, Sharmila N. and Luo, Jiajun and Yan, Aiming and Charles, Daniel and Waghmare, Umesh V. and Dravid, Vinayak P. and Rao, C. N. R.} } @article { ISI:000327261700125, title = {Static and dynamic magnetic properties and effect of surface chemistry on the morphology and crystallinity of DyCrO3 nanoplatelets}, journal = {RSC Advances}, volume = {3}, number = {48}, year = {2013}, month = {OCT}, pages = {26427-26432}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

In this contribution, the structural and magnetic properties of DyCrO3 nanoplatelets, synthesized by a hydrolytic sol-gel method, have been investigated. The crystalline phase of DyCrO3 was attained at the decomposition temperature of 800 degrees C for citric acid and oxalic acid, respectively and their structural analysis indicates a distorted orthorhombic perovskite structure of the DyCrO3 nanoplatelets. The dc-magnetization curve shows the Neel temperature of similar to 144 and similar to 146 K for DyCrO3 nanoplatelets synthesized using citric acid (DCO (C)) and oxalic acid (DCO (O)), respectively. In addition, DCO (O) shows weak anomalies at similar to 22 and similar to 6 K in the zero-field-cooled and field-cooled magnetization curves. Below the Neel temperature, DCO (C) and DCO (O) exhibit cross-over from positive to negative magnetization at similar to 143 and similar to 145 K, respectively. This was attributed to a Dy3+-Cr3+ interaction, which resulted in a weak ferromagnetic coupling (seen as a small opening in the M-H curves). The low temperature transition observed at similar to 6 K can be assigned to the onset of Dy3+-Dy3+ antiferromagnetic interaction.

}, issn = {2046-2069}, doi = {10.1039/c3ra43088j}, author = {Gupta, Preeti and Bhargava, Richa and Das, Raja and Poddar, Pankaj} } @article { ISI: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 {42703, title = {Stepwise metal-ligand cooperation via a reversible aromatization-deconjugation-sequence in ruthenium complexes with a tetradentate phenanthroline-based ligand}, journal = {Chemistry - A European Journal}, volume = {19}, year = {2013}, month = {MAR}, pages = {3407{\textendash}3414}, abstract = {

The synthesis and reactivity of ruthenium complexes containing the tetradentate phenanthroline-based phosphine ligand 2,9-bis((di-tert-butylphosphino)methyl)-1,10-phenanthroline (PPhenP) is described. The hydrido chloro complex [RuHCl(PPhenP)] (2) undergoes facile dearomatization upon deprotonation of the benzylic position, to give [RuH(PPhenP-H)] (4). Addition of dihydrogen to 4 causes rearomatization of the phenanthroline moiety to trans-[Ru(H)2(PPhenP)] (5), followed by hydrogenation of an aromatic heterocycle in the ligand backbone, to give a new dearomatized and deconjugated complex [RuH(PPhenP*-H)] (6). These aromatization/deconjugation steps of the coordinated ligand were demonstrated to be reversible and operative in the dehydrogenation of primary alcohols without the need for a hydrogen acceptor. This aromatization/deconjugation sequence constitutes an unprecedented mode of a stepwise cooperation between the metal center and the coordinated ligand.

}, doi = {10.1002/chem.201204003}, author = {Langer, Robert and Fuchs, Ido and Vogt, Matthias and Balaraman, Ekambaram and Diskin-Posner, Yael and Shimon, Linda J. W. and Ben-David, Yehoshoa and Milstein, David} } @article { ISI:000326495000001, title = {Structural design of coordination polymers}, journal = {Crystengcomm}, volume = {15}, number = {45}, year = {2013}, month = {OCT}, pages = {9237-9238}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, issn = {1466-8033}, doi = {10.1039/c3ce90156d}, author = {Du, Miao and Banerjee, Rahul and Shimizu, George K. H.} } @article { ISI:000324679400001, title = {Structure elucidation of beta-cyclodextrin-xylazine complex by a combination of quantitative H-1-H-1 ROESY and molecular dynamics studies}, journal = {Beilstein Journal of Organic Chemistry}, volume = {9}, year = {2013}, month = {SEP}, pages = {1917-1924}, publisher = {BEILSTEIN-INSTITUT}, address = {TRAKEHNER STRASSE 7-9, FRANKFURT AM MAIN, 60487, GERMANY}, abstract = {

The complexation of xylazine with beta-cyclodextrin was studied in aqueous medium. H-1 NMR titrations confirmed the formation of a 1:1 inclusion complex. A ROESY spectrum was recorded with long mixing time which contained TOCSY artifacts. It only confirmed the presence of xylazine aromatic ring in the beta-cyclodextrin cavity. No information regarding the mode of penetration, from the wide or narrow side, could be obtained. We calculated the peak intensity ratio from the inter-proton distances for the most stable conformations obtained by molecular dynamics studies in vacuum. The results show that highly accurate structural information can be deduced efficiently by the combined use of quantitative ROESY and molecular dynamics analysis. On the other hand, a ROESY spectrum with no spin diffusion can only compliment an averaged ensemble conformation obtained by molecular dynamics which is generally considered ambiguous.

}, keywords = {beta-cyclodextrin, inclusion complex, ROESY, simulation studies, xylazine}, issn = {1860-5397}, doi = {10.3762/bjoc.9.226}, author = {Ali, Syed Mashhood and Fatma, Kehkeshan and Dhokale, Snehal A.} } @article { ISI:000325738700001, title = {Sugar furanoid trans-vicinal diacid as a gamma-turn inducer: synthesis and conformational study}, journal = {Organic \& Biomolecular Chemistry}, volume = {11}, number = {40}, year = {2013}, month = {OCT}, pages = {6874-6878}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A simple method for the synthesis of a sugar furanoid trans vicinal diacid and its incorporation into the N-terminal tetrapeptide sequence (H-Phe-Trp-Lys-Thr-OH) to get glycopeptide 8 has been described. 2D NMR and MD simulation studies of 8 clearly show that the sugar diacid adopts a gamma-turn conformation towards the N-terminus.

}, issn = {1477-0520}, doi = {10.1039/c3ob41462k}, author = {Vangala, Madhuri and Dhokale, Snehal A. and Gawade, Rupesh L. and Pattuparambil, Rajamohanan R. and Puranik, Vedavati G. and Dhavale, Dilip D.} } @article { ISI:000328941200014, title = {Supramolecular nanoparticles that target phosphoinositide-3-kinase overcome insulin resistance and exert pronounced antitumor efficacy}, journal = {Cancer Research}, volume = {73}, number = {23}, year = {2013}, month = {DEC}, pages = {6987-6997}, publisher = {AMER ASSOC CANCER RESEARCH}, address = {615 CHESTNUT ST, 17TH FLOOR, PHILADELPHIA, PA 19106-4404 USA}, abstract = {

The centrality of phosphoinositide-3-kinase (PI3K) in cancer etiology is well established, but clinical translation of PI3K inhibitors has been limited by feedback signaling, suboptimal intratumoral concentration, and an insulin resistance {\textquoteleft}{\textquoteleft}class effect.{\textquoteright}{\textquoteright} This study was designed to explore the use of supramolecular nanochemistry for targeting PI3K to enhance antitumor efficacy and potentially overcome these limitations. PI3K inhibitor structures were rationally modified using a cholesterol-based derivative, facilitating supramolecular nanoassembly with L-alpha-phosphatidylcholine and DSPE-PEG [1,2-distearoyl-sn-glycero-3-phosphoethanolamine-N-[amino(polythylen e glycol)]. The supramolecular nanoparticles (SNP) that were assembled were physicochemically characterized and functionally evaluated in vitro. Antitumor efficacy was quantified in vivo using 4T1 breast cancer and K-Ras(LSL/+)/Pten(fl/fl) ovarian cancer models, with effects on glucose homeostasis evaluated using an insulin sensitivity test. The use of PI103 and PI828 as surrogate molecules to engineer the SNPs highlighted the need to keep design principles in perspective; specifically, potency of the active molecule and the linker chemistry were critical principles for efficacy, similar to antibody-drug conjugates. We found that the SNPs exerted a temporally sustained inhibition of phosphorylation of Akt, mTOR, S6K, and 4EBP in vivo. These effects were associated with increased antitumor efficacy and survival as compared with PI103 and PI828. Efficacy was further increased by decorating the nanoparticle surface with tumor-homing peptides. Notably, the use of SNPs abrogated the insulin resistance that has been associated widely with other PI3K inhibitors. This study provides a preclinical foundation for the use of supramolecular nanochemistry to overcome current challenges associated with PI3K inhibitors, offering a paradigm for extension to other molecularly targeted therapeutics being explored for cancer treatment. (C)2013 AACR.

}, issn = {0008-5472}, doi = {10.1158/0008-5472.CAN-12-4477}, author = {Kulkarni, Ashish A. and Roy, Bhaskar and Rao, Poornima S. and Wyant, Gregory A. and Mahmoud, Ayaat and Ramachandran, Madhumitha and Sengupta, Poulomi and Goldman, Aaron and Kotamraju, Venkata Ramana and Basu, Sudipta and Mashelkar, Raghunath Anant and Ruoslahti, Erkki and Dinulescu, Daniela M. and Sengupta, Shiladitya} } @article { ISI:000318332300017, title = {Suzuki-Miyaura cross-coupling reaction between aryl halides and phenylboronic acids over gold nano-particles supported on MgO (or CaO) and other metal oxides}, journal = {Journal of Catalysis}, volume = {301}, year = {2013}, month = {MAY}, pages = {134-140}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

Gold nano-particles-supported alkaline earth metal oxides, particularly MgO or CaO, show high catalytic activity in the Suzuki-Miyaura cross-coupling reaction in the presence of K2CO3 and DMF (as a solvent). The catalytic activity is strongly influenced by the nature or type of metal oxide support (viz, alkaline earth oxide, Group IIIA metal oxide, transition metal oxide, or rare earth oxide actinide oxide). It is also strongly influenced by the nature of aryl halide (aryl iodide, bromide, chloride, or fluoride), amount of K2CO3 in the reaction mixture and catalyst calcination temperature. Influence of reaction parameters viz, temperature and time and different substituents in aryl halides and/or phenylboronic acids on the biphenyl product yield in the reaction over Au/MgO catalyst has also been investigated. The catalyst showed excellent reusability in the reaction. Moreover, it is ligand-free and also has much lower cost than the commonly used homogeneous and heterogeneous Pd catalysts. (C) 2013 Elsevier Inc. All rights reserved.

}, keywords = {Aryl halides, Au/MgO (or CaO) catalyst, Biphenyls, Gold nano-particles, phenylboronic acids, Suzuki-Miyaura coupling reaction}, issn = {0021-9517}, doi = {10.1016/j.jcat.2013.01.012}, author = {Dumbre, Deepa K. and Yadav, P. N. and Bhargava, Suresh Kumar and Choudhary, Vasant R.} } @article { ISI:000326010300003, title = {Switching the H-bonding network of a foldamer by modulating the backbone chirality and constitutional ratio of amino acids}, journal = {Organic \& Biomolecular Chemistry}, volume = {11}, number = {41}, year = {2013}, month = {NOV}, pages = {7072-7075}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

This communication describes the folding propensity of a hetero-foldamer motif featuring proline (Pro) and anthranilic acid (Ant) residues in a 1:2:1 (alpha: beta: alpha) constitutional ratio. Structural investigations unequivocally suggest that the hydrogen-bonding network of this foldamer motif can be switched between 9-membered and 6-membered by modulating the backbone chirality and constitutional ratio of the amino acid residues.

}, issn = {1477-0520}, doi = {10.1039/c3ob41369a}, author = {Ramesh, Veera V. E. and Vijayadas, Kuruppanthara N. and Dhokale, Snehal A. and Gonnade, Rajesh G. and Rajamohanan, Pattuparambil R. and Sanjayan, Gangadhar J.} } @article { ISI:000329539200015, title = {Synthesis and antimicrobial activity of novel oxysterols from lanosterol}, journal = {Tetrahedron}, volume = {69}, number = {52}, year = {2013}, month = {DEC}, pages = {11155-11163}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Chemically diverse oxysterols and their synthetic manipulations were carried out from variety of Delta(8(9)_) lanosterol derivatives and evaluated for their in vitro antimicrobial activities. Most of the synthesized oxysterols exhibited significant antifungal activity against the tested strains. (C) 2013 Elsevier Ltd. All rights reserved.

}, keywords = {Allylic oxidation, antibacterial activity, Antifungal activity, Dihydroxylation, Oxygenated steroids}, issn = {0040-4020}, doi = {10.1016/j.tet.2013.10.090}, author = {Shingate, Bapurao B. and Hazra, Braja G. and Salunke, Deepak B. and Pore, Vandana S. and Shirazi, Fazal and Deshpande, Mukund V.} } @article { ISI:000319610100003, title = {Synthesis and characterization of poly(ether ether ketone)s and poly(ether ether ketone ketone) s containing pendant biphenyl and naphthyl groups}, journal = {High Performance Polymers}, volume = {25}, number = {3}, year = {2013}, month = {MAY}, pages = {260-267}, publisher = {SAGE PUBLICATIONS LTD}, address = {1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND}, abstract = {

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

}, keywords = {biphenyl, bisphenol, naphthyl, poly(ether ether ketone ketone)s, poly(ether ether ketone)s, Polycondensation, Thermal properties}, issn = {0954-0083}, doi = {10.1177/0954008312462731}, author = {Honkhambe, Pandurang N. and Dhamdhere, Neelam A. and Tawade, Bhausaheb V. and Salunkhe, Manikrao M. and Wadgaonkar, Prakash P.} } @article { ISI:000326056600042, title = {Synthesis and electrochemical performance of a single walled carbon nanohorn-Fe3O4 nanocomposite supercapacitor electrode}, journal = {RSC Advances}, volume = {3}, number = {44}, year = {2013}, month = {AUG}, pages = {21390-21393}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A new Fe3O4-SWCNH nanocomposite was synthesized as an electrode material for supercapacitors. The nanocomposite exhibited a high specific capacitance of 377 F g(-1) and delivered a stable discharge capacitance at a current density of 1 A g(-1) over 1000 cycles between 0 and 1.2 V.

}, issn = {2046-2069}, doi = {10.1039/c3ra43079k}, author = {Deshmukh, Ashvini B. and Shelke, Manjusha V.} } @article { ISI:000319185100004, title = {Synthesis and self-assembly of amphiphilic homoglycopolypeptide}, journal = {Langmuir}, volume = {29}, number = {19}, year = {2013}, month = {MAY}, pages = {5659-5667}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The synthesis of the amphiphilic homoglycopolypeptide was carried out by a combination of NCA polymerization and click chemistry to yield a well-defined Polypeptide having an amphiphilic carbohydrate on its side chain. The amphiphilicity of the carbohydrate was achieved by incorporation of an alkyl chain, at the C-6 position of the carbohydrate thus also rendering the homoglycopolypeptide amphiphilic. The homoglycopolypeptide formed multimicellar aggregates in water above a critical concentration of 0.9 mu M due to phase separation. The multimicellar aggregates were characterized by DLS, TEM, and AFM. It is proposed that hydrophobic interactions of the aliphatic chains at the 6-position of the sugar moieties drives the assembly of these rod-like homoglycopolypeptide into large;spherical aggregates. These multimicellar aggregates encapsulate both hydrophilic as well as hydrophobic dye as was confirmed by confocal microscopy. finally, amphiphilic random polypeptides containing 10\% and 20\% alpha-D-mannose in addition to glucose containing a, hydrophobic alkyl chain at its 6 position were synthesized by our methodology, and these polymers Were also found to assemble into spherical nanostructures. The spherical assemblies Of amphiphilic random glycopolypeptides containing 10\% and 20\% mannose were found to be surface bioactive and were found, to interact with the lectin Con-A.

}, issn = {0743-7463}, doi = {10.1021/la400144t}, author = {Dhaware, Vinita and Shaikh, Ashif Y. and Kar, Mrityunjoy and Hotha, Srinivas and Sen Gupta, Sayam} } @article { ISI:000321858300002, title = {Synthesis of end-functionalized phosphate and phosphonate-polypeptides by ring-opening polymerization of their corresponding N-carboxyanhydride}, journal = {Polymer Chemistry}, volume = {4}, number = {15}, year = {2013}, month = {AUG}, pages = {4087-4091}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Phosphopolypeptides provide an interesting biomimetic analog for phosphorylated proteins that are involved in biomineralization. We have developed a high yielding synthesis of cysteine-based phosphate and phosphonate N-carboxyanhydride (NCA) by using the thiol-ene coupling reaction. These phosphate and phosphonate NCA monomers underwent polymerization using simple primary amine initiators to form well defined homophosphopolypeptides. Using a bifunctional initiator we were able to install a {\textquoteleft}{\textquoteleft}clickable{\textquoteright}{\textquoteright} alkyne or azide group at the end of the polypeptide chain. We were also able to successfully synthesize fully water-soluble phosphonate based polypeptides by hydrolysis of the corresponding phosphonate ester groups in the polypeptide. These water-soluble phosphopolypeptides adopt a random coil conformation at physiological pH.

}, issn = {1759-9954}, doi = {10.1039/c3py00409k}, author = {Das, Soumen and Kar, Mrityunjoy and Sen Gupta, Sayam} } @article { ISI:000316024500022, title = {Synthesis of low coercive BaFe12O19 hexaferrite for microwave applications in low-temperature cofired ceramic}, journal = {Journal of Electronic Materials}, volume = {42}, number = {4}, year = {2013}, month = {APR}, pages = {761-768}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Polycrystalline M-type barium hexaferrite (BaFe12O19) samples have been synthesized by solution combustion route at different pH and calcination conditions in order to reduce the coercivity for microwave applications in low-temperature cofired ceramic (LTCC) substrates. Structural, morphological, and magnetic properties of BaFe12O19 were studied by x-ray diffraction (XRD), field emission scanning electron microscopy (FESEM), Raman spectroscopy, vibrating sample magnetometry (VSM), and Mossbauer spectroscopy. The formation of a single-phase hexagonal structure was confirmed by XRD. The Raman spectra reveal all characteristic peaks of BaFe12O19, illustrating the phase purity and crystal lattice symmetry of the synthesized material. Mossbauer spectra illustrate the existence of Fe3+ cations at all five crystallographic lattice sites. The microstructural features observed by FESEM disclose the growth of nanoregime particles into hexagonal platelet particles after calcination at temperatures from 800A degrees C to 1200A degrees C. The VSM results show a lower coercivity (1350 Oe to 3500 Oe) together with reasonably high saturation magnetization (55 emu/g to 60 emu/g) and a high bulk resistivity (\> 10(9) Omega-cm) at room temperature. The dependence of magnetic and electrical properties on the preparation and processing conditions is also discussed.

}, keywords = {Barium hexaferrite, coercivity, LTCC, Mossbauer spectroscopy, Raman spectroscopy}, issn = {0361-5235}, doi = {10.1007/s11664-012-2398-6}, author = {Rane, Vivek A. and Meena, Sher Singh and Gokhale, Suresh P. and Yusuf, S. M. and Phatak, Girish J. and Date, Sadgopal K.} } @article { ISI:000316693100020, title = {Synthesis of palmyrolide A and its cis-isomer and mechanistic insight into trans-cis isomerisation of the enamide macrocycle}, journal = {Chemical Communications}, volume = {49}, number = {32}, year = {2013}, month = {MAR}, pages = {3342-3344}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Concise and protecting-group free synthesis of ent-palmyrolide A and (-)-cis-palmyrolide A were achieved starting from commercially available (S)-citronellal. The key fragment of palmyrolide A, {\textquoteleft}{\textquoteleft}(5S,7S)-7-hydroxy-5,8,8-trimethylnonanamide{\textquoteright}{\textquoteright}, which makes up the most challenging part of the target molecule, was prepared in just three steps. A plausible mechanism for the trans-cis isomerization of the double bond in the macrocycle has been investigated.

}, issn = {1359-7345}, doi = {10.1039/c3cc40541a}, author = {Philkhana, Satish Chandra and Seetharamsingh, B. and Dangat, Yuvraj B. and Vanka, Kumar and Reddy, D. Srinivasa} } @article {42488, title = {Synthesis, steady-state, and femtosecond transient absorption studies of resorcinol bound ruthenium(ii)- and osmium(ii)-polypyridyl complexes on nano-TiO2 surface in water}, journal = {Inorganic Chemistry}, volume = {52}, year = {2013}, month = {APR}, pages = {5366{\textendash}5377}, abstract = {

The synthesis of two new ruthenium(II)- and osmium(II)-polypyridyl complexes 3 and 4, respectively, with resorcinol as the enediol anchoring moiety, is described. Steady-state photochemical and electrochemical studies of the two sensitizer dyes confirm strong binding of the dyes to TiO2 in water. Femtosecond transient absorption studies have been carried out on the dye{\textendash}TiO2 systems in water to reveal \<120 fs and 1.5 ps electron injection times along with 30\% slower back electron transfer time for the ruthenium complex 3. However, the corresponding osmium complex 4 shows strikingly different behavior for which only a \<120 fs ultrafast injection is observed. Most remarkably, the back electron transfer is faster as compared to the corresponding catechol analogue of the dye. The origin and the consequences of such profound effects on the ultrafast interfacial dynamics are discussed. This Article on the electron transfer dynamics of the aforesaid systems reinforces the possibility of resorcinol being explored and developed as an extremely efficient binding moiety for use in dye-sensitized solar cells.

}, doi = {10.1021/ic4003548}, author = {Banerjee, Tanmay and Kaniyankandy, Sreejith and Das, Amitava and Ghosh, Hirendra Nath} } @article {42704, title = {Synthesis, structures, and dearomatization by deprotonation of iron complexes featuring bipyridine-based PNN pincer ligands}, journal = {Inorganic Chemistry}, volume = {52}, year = {2013}, month = {JUL}, pages = {9636{\textendash}9649}, abstract = {

The synthesis and characterization of new iron pincer complexes bearing bipyridine-based PNN ligands is reported. Three phosphine-substituted pincer ligands, namely, the known tBu-PNN (6-((di-tert-butylphosphino)methyl)-2,2'-bipyridine) and the two new iPr-PNN (6-((di-iso-propylphosphino)methyl)-2,2'-bipyridine) and Ph-PNN (6-((diphenylphosphino)methyl)-2,2'-bipyridine) ligands were synthesized and studied in ligation reactions with iron(II) chloride and bromide. These reactions lead to the formation of two types of complexes: mono-chelated neutral complexes of the type [(R-PNN)Fe(X)2] and bis-chelated dicationic complexes of the type [(R-PNN)2Fe]2+. The complexes [(R-PNN)Fe(X)2] (1: R = tBu, X = Cl, 2: R = tBu, X = Br, 3: R = iPr, X = Cl, and 4: R = iPr, X = Br) are readily prepared from reactions of FeX2 with the free R-PNN ligand in a 1:1 ratio. Magnetic susceptibility measurements show that these complexes have a high-spin ground state (S = 2) at room temperature. Employing a 2-fold or higher excess of iPr-PNN, diamagnetic hexacoordinated dicationic complexes of the type [(iPr-PNN)2Fe](X)2 (5: X = Cl, and 6: X = Br) are formed. The reactions of Ph-PNN with FeX2 in a 1:1 ratio lead to similar complexes of the type [(Ph-PNN)2Fe](FeX4) (7: X = Cl, and 8: X = Br). Single crystal X-ray studies of 1, 2, 4, 6, and 8 do not indicate electron transfer from the FeII centers to the neutral bipyridine unit based on the determined bond lengths. Density functional theory (DFT) calculations were performed to compare the relative energies of the mono- and bis-chelated complexes. The doubly deprotonated complexes [(R-PNN*)2Fe] (9: R = iPr, and 10: R = Ph) were synthesized by reactions of the dicationic complexes 6 and 8 with KOtBu. The dearomatized nature of the central pyridine of the pincer ligand was established by X-ray diffraction analysis of single crystals of 10. Reactivity studies show that 9 and 10 have a slightly different behavior in protonation reactions.

}, doi = {10.1021/ic401432m}, author = {Zell, Thomas and Langer, Robert and Iron, Mark A. and Konstantinovski, Leonid and Shimon, Linda J. W. and Diskin-Posner, Yael and Leitus, Gregory and Balaraman, Ekambaram and Ben-David, Yehoshoa and Milstein, David} } @article { ISI:000326219500012, title = {Tetrazine templated method for the synthesis of ternary conjugates}, journal = {Chemical Communications}, volume = {49}, number = {92}, year = {2013}, month = {SEP}, pages = {10808-10810}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Conjugation is an important reaction that enables coupling of molecules. Many protocols exist for the synthesis of binary conjugates from two different molecules or for the polyvalent display of a singlemolecule. There aren{\textquoteright}tmanymethods for the synthesis of ternary conjugates. However, methods for ternary conjugation are important for understanding the interplay of interactions between three biomolecules (or any three molecules per se). A strategy for ternary bioconjugation using inverse electron demand Diels-Alder reaction with tetrazine is studied. Ternary conjugation was demonstrated by the reaction of a model glyco-peptide binary conjugate with a fluorescent tagged olefin.

}, issn = {1359-7345}, doi = {10.1039/c3cc46634e}, author = {Rao, Boddu Venkateswara and Dhokale, Snehal A. and Rajamohanan, Pattuparambil R. and Hotha, Srinivas} } @article { ISI:000318748300011, title = {Thermodynamic behavior of hydrophobically modified polyacrylamide containing random distribution of hydrophobes: experimental and theoretical investigations}, journal = {Polymer}, volume = {54}, number = {11}, year = {2013}, month = {MAY}, pages = {2676-2689}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Two series of Hydrophobically Modified Polyacrylamides (HMPAMs) were prepared by free radical copolymerization of trimethylsilylacrylamide with 3-pentadecylcyclohexylacrylamide (PDCAM) or dodecylacrylamide (DDAM) followed by removal of trimethylsilyl protecting groups. The solution properties of HMPAMs were studied in dilute aqueous solution by fluorescence spectroscopy, NMR and viscometry. The properties in aqueous solution of HMPAMs clearly displayed the formation of hydrophobic interactions between alkyl stickers. While dodecyl containing HMPAMs mainly showed a progressive collapse of the copolymer coil with the increasing fraction of hydrophobic moieties (weak intra-chain associations), pentadecylcyclohexyl groups containing HMPAMs exhibited a much lower solubility in water due to strong intra- and inter-chain associations. Experimental data were analyzed using the mean field theory developed by Semenov and Rubinstein (SR) for associating polymers. Using a set of realistic parameters, taking into account the solubility of the backbone, the fraction of stickers and the strength of hydrophobic attractions, we show that the SR model offers a quantitative description of the thermodynamic properties of HMPAMs in terms of individual and collective behavior of polymers chains; i.e. swelling and phase separation, respectively. (C) 2013 Elsevier Ltd. All rights reserved.

}, keywords = {Associating polymer, Polyacrylamide, Self-assembling}, issn = {0032-3861}, doi = {10.1016/j.polymer.2013.03.039}, author = {Hourdet, Dominique and Ducouret, Guylaine and Varghese, Sony and Badiger, Manohar V. and Wadgaonkar, Prakash P.} } @article { ISI:000317859400005, title = {Thiolated graphene - a new platform for anchoring CdSe quantum dots for hybrid heterostructures}, journal = {Nanoscale}, volume = {5}, number = {9}, year = {2013}, month = {MAR}, pages = {3615-3619}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Effective organization of small CdSe quantum dots on graphene sheets has been achieved by a simple solution exchange with thiol terminated graphene prepared by diazonium salt chemistry. This generic methodology of CdSe QD attachment to any graphene surface has remarkable implications in designing hybrid heterostructures.

}, issn = {2040-3364}, doi = {10.1039/c3nr00363a}, author = {Debgupta, Joyashish and Pillai, Vijayamohanan K.} } @article { ISI:000323361600008, title = {Three-dimensional, mesoporous titanosilicates as catalysts for producing biodiesel and biolubricants}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {377}, year = {2013}, month = {OCT}, pages = {65-73}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The application of three-dimensional, mesoporous titanosilicates, Ti-SBA-12 and Ti-SBA-16, as reusable solid acid catalysts for producing biodiesel and biolubricants is reported for the first time. Biodiesel was prepared by esterification of oleic acid with monohydric methanol and biolubricants by esterification with polyhydric alcohols (glycerol, trimethylolpropane, neopentyl glycol and pentaerythritol). High catalytic activity of these catalysts is attributed to the presence of dispersed Lewis acidic Ti sites and mesoporosity in the structure. Biodiesel yields as high as 90 mol\% were obtained at 443 K. Surface hydrophobicity of the catalyst has also a predominant role, especially, in reactions involving polyhydric alcohols. In those reactions, Ti-SBA-16 showed higher catalytic activity than Ti-SBA-12. (c) 2013 Elsevier B.V. All rights reserved.

}, keywords = {Biodiesel, Esterification of fatty acid, Lubricant basestocks, mesoporous materials, Ti-SBA-12, Ti-SBA-16, Titanosilicates}, issn = {1381-1169}, doi = {10.1016/j.molcata.2013.04.029}, author = {Kotwal, Mehejabeen and Kumar, Anuj and Darbha, Srinivas} } @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 { ISI:000325039100047, title = {Ultrasound promoted efficient and green protocol for the expeditious synthesis of 1, 4 disubstituted 1, 2, 3-triazoles using Cu(II) doped clay as catalyst}, journal = {Applied Clay Science}, volume = {80-81}, year = {2013}, month = {AUG}, pages = {351-357}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Cu(II) doped clay catalyst has been prepared by an easy technique from inexpensive starting materials and investigated for the one pot synthesis of 1, 4-disubstituted 1, 2, 3-triazoles via Huisgen [3 + 2] cycloaddition under ultrasonic irradiation at room temperature. The catalyst is highly active, selective, and stable and can be reused several times. The prepared catalyst has been characterized by XRD, BET-SA, H-2-TPR, SEM and XPS techniques. This transformation is fast, efficient and does not require nitrogen atmosphere or anoxic conditions and additive. (C) 2013 Elsevier B.V. All rights reserved.

}, keywords = {Catalyst support, Copper catalyst, Crystallization, selectivity, Sustainability}, issn = {0169-1317}, doi = {10.1016/j.clay.2013.06.030}, author = {Dar, Bashir Ahmad and Bhowmik, Amrita and Sharma, Amit and Sharma, Parduman R. and Lazar, Anish and Singh, A. P. and Sharma, Meena and Singh, Baldev} } @article { ISI:000325389000001, title = {Understanding the orientation of water molecules around the phosphate and attached functional groups in a phospholipid molecule: a DFT-based study}, journal = {Molecular Simulation}, volume = {39}, number = {12}, year = {2013}, month = {OCT}, pages = {937-955}, publisher = {TAYLOR \& FRANCIS LTD}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {

The adsorption of water molecules around a polar region (in particular around the phosphate moiety) in the phospholipid molecules is studied in this work. Phospholipid molecules with different functional groups are known to respond differently to the water molecules. Hence, we attempt to study the adsorption of water molecules around the phosphate group as a consequence of the change of functional group attached to the phosphate group, viz. phosphatidyl ethanolamine (PE), phosphatidyl choline (PC) and phosphatidyl glycerol (PG). As the latter is anionic in nature, the charge is compensated by Na+ counterion. Up to seven water molecules are adsorbed around the phosphate groups in model systems mimicking phospholipid molecule. The corresponding changes in the structural and electronic aspects are analysed. The significant difference between the PE and PC model systems is the formation of clathrate-like structure in the latter. Itisnoticed that as the number of water molecules increases to seven, both the hydrogen atoms in the water molecule participate in hydrogen bonding. However, in the PG model system, the charge-compensating counterion prevents the water molecule to form clathrate-like structures. The adsorption sites for water molecules are validated by density functional theory-based reactivity descriptors, viz. Fukui functions in the PE model system.

}, keywords = {cHelpG, DMPC, DMPE, DMPG, Fukui functions, Hydration}, issn = {0892-7022}, doi = {10.1080/08927022.2013.783701}, author = {Mishra, Deepti and Das, Susanta and Krishnamurthy, Sailaja and Pal, Sourav} } @article { ISI:000330145400022, title = {Understanding the site selectivity in small-sized neutral and charged AI(n) (4 <= n <= 7) clusters using density functional theory based reactivity descriptors: a validation study on water molecule adsorption}, journal = {Journal of Physical Chemistry A}, volume = {117}, number = {36, SI}, year = {2013}, month = {SEP}, pages = {8691-8702}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Aluminum clusters are now technologically important due to their high catalytic activity. Our present study on the small-sized aluminum clusters applies density functional theory (DFT)-based reactivity descriptors to identify potential sites for adsorption and eventual chemical reaction. Depending on symmetry, susceptibility of various type of reactive sites within a cluster toward an impending electrophilic and/or nucleophilic attack is predicted using the reactivity descriptors. In addition, the study devises general rules as to how the size, shape, and charge of the cluster influences the number of available sites for an electrophilic and/or nucleophilic attack. The predictions by reactivity descriptors are validated by performing an explicit adsorption of water molecule on Al clusters with four atoms. The adsorption studies demonstrate that the most stable water-luster complex is obtained when the molecule is adsorbed through an oxygen atom on the site with the highest relative electrophilicity.

}, issn = {1089-5639}, doi = {10.1021/jp403109s}, author = {Das, Susanta and Pal, Sourav and Krishnamurty, Sailaja} } @article { ISI:000340500300065, title = {Access to harmonine, a chemical weapon of ladybird beetles}, journal = {RSC Advances}, volume = {4}, number = {58}, year = {2014}, month = {JUL}, pages = {30923-30926}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The synthesis of harmonine, a defense alkaloid from the harlequin ladybird is reported by three different routes. The preparation of several new analogs with the same molecular weight and the decoration of gold nanoparticles with harmonines are also part of the present communication.

}, issn = {2046-2069}, doi = {10.1039/c4ra05859c}, author = {Philkhana, Satish Chandra and Dhasaiyan, Prabhu and Bhagavatula L. V. Prasad and Reddy, D. Srinivasa} } @article {43369, title = {Acidic ionic liquids catalyzed depolymerization of lignin}, number = {PCT/IN2014/000320}, year = {2014}, month = {NOV}, abstract = {The present invention discloses a process for depolymerization of lignin to yield substituted phenolic monomers using Br{\"o}nsted ionic liquid as catalyst under mild reaction conditions to obtain an overall yield of monomers up to 97\%.}, author = {Dhepe, Paresh Laxmikant and Kelkar, Ashutosh Anant and Matsagar, Babasaheb Mansub and Singh, Sandip Kumar} } @article { ISI:000328955200029, title = {Activated nitrogen doped graphene shell towards electrochemical oxygen reduction reaction by its encapsulation on Au nanoparticle (Au@N-Gr) in water-in-oil {\textquoteleft}{\textquoteleft}nanoreactors{\textquoteright}{\textquoteright}}, journal = {Journal of Materials Chemistry A}, volume = {2}, number = {5}, year = {2014}, month = {NOV}, pages = {1383-1390}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Encapsulation of nitrogen doped graphene on Au nanoparticle (Au@N-Gr) could be accomplished through a water-in-oil emulsion technique, where the emulsion droplets act as {\textquoteleft}nanoreactors{\textquoteright} and the redox reaction inside the droplets results in the formation of core-shell nanoparticles. The encapsulation of N-Gr on a small quantity of Au (N-Gr : Au wt ratio of 90 : 10) made the N-Gr layer more conductive and active towards electrochemical oxygen reduction reaction (ORR). The enhanced conductivity helped the system narrow down the ohmic overpotential, and direct electronic interactions between the Au and Gr layers brought in a favourable positive shift to the onset potential for ORR. Encapsulation has helped N-Gr reduce the overpotential by similar to 121 mV as compared to N-Gr alone. Apart from this, the oxygen reduction kinetics of Au@N-Gr also appeared to be superior to N-Gr and Au nanoparticles as separate entities due to greater involvement of the preferred 4-electron reduction pathway. At -0.3 V (vs. Hg/HgO), the percentage of hydrogen peroxide (H2O2) (a product formed from the undesirable 2-electron reduction pathway) was found to be 16.5\% for Au@Gr, where Au was covered with undoped Gr, which gets reduced to a significantly low level of 6.5\% for Au@N-Gr. Au and N-Gr as separate entities give yield of H2O2 as 52.2 and 47.7\%, respectively. From these, it can be concluded that the coverage of N-Gr on Au helps decrease the yield of H2O2 drastically apart from the benefits of synergistic interactions in reducing both ohmic and activation overpotentials.

}, issn = {2050-7488}, doi = {10.1039/c3ta14005a}, author = {Dhavale, Vishal M. and Gaikwad, Sachin S. and Kurungot, Sreekumar} } @article { ISI:000341405600003, title = {Ambient oxidation of benzene to phenol by photocatalysis on Au/Ti0.98V0.02O2: role of holes}, journal = {ACS Catalysis}, volume = {4}, number = {9}, year = {2014}, month = {SEP}, pages = {2844-2853}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A potential photocatalyst with 2 atom \% vanadium incorporated into the 1 lattice of disordered mesoporous titania, Ti0.98V0.02O2, (TV2) was synthesized. Au was deposited on TV2 (Au/TV2) through a photodeposition method. Structural, microscopy, and spectroscopy techniques support the incorporation of vanadium into the TiO2 lattice, and Au was deposited on the surfaces of TV2. Photocatalytic oxidation of benzene was conducted at ambient temperature under UV and/or visible light to demonstrate the catalytic activity of the Au/TV2 catalyst. The TV2 lattice exhibits a quantum jump in benzene to phenol oxidation compared to that of TiO2, highlighting the importance of V for oxidation. Introduction of Au onto TV2 further increases the benzene to phenol oxidation and phenol yield by a factor of 2 under UV light compared to those of bare TV2. No significant phenol production was observed in visible light with or without gold, indicating the role of gold is indirect toward charge separation and electron storage. Nano gold clusters on TV2 selectively store photoexcited electrons and in turn maximize holes utilization on TiO2. The high photocatalytic activity of Au/TV2 is mainly attributed to the presence of Schottky junctions, disordered mesoporosity, and short diffusion lengths for charge carriers.

}, keywords = {nano gold, phenol, Photocatalysis, Schottky junction, titania, Vanadium}, issn = {2155-5435}, doi = {10.1021/cs500724z}, author = {Devaraji, Perumal and Sathu, Naveen K. and Gopinath, Chinnakonda S.} } @article { ISI:000332027100007, title = {Amino acid-based multiresponsive low-molecular weight metallohydrogels with load-bearing and rapid self-healing abilities}, journal = {Chemical Communications}, volume = {50}, number = {23}, year = {2014}, month = {FEB}, pages = {3004-3006}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A multiresponsive metallohydrogel based on an amino acid-derived low molecular weight (LMW) ligand and a Zn(II) salt was prepared. This hydrogel showed remarkable shape-persistent, self-standing, load-bearing and self-healing properties, which is uncommon in LMW hydrogels.

}, issn = {1359-7345}, author = {Saha, Subhadeep and Bachl, Jurgen and Kundu, Tanay and Diaz, David Diaz and Banerjee, Rahul} } @article { ISI: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:000334682700018, title = {Antimicrobial and SEM studies of sophorolipids synthesized using lauryl alcohol}, journal = {Journal of Surfactants and Detergents}, volume = {17}, number = {3}, year = {2014}, month = {MAY}, pages = {543-552}, publisher = {SPRINGER HEIDELBERG}, type = {Article}, address = {TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY}, abstract = {

In recent years, researchers have developed biosurfactants for industrial, pharmaceutical and medical applications revealing the promising biological activities of these biomolecules. One of the best studied microbial surfactants are glycolipids, especially sophorolipids (SLs) produced by selected non-pathogenic yeast species of Candida. They are biodegradable, non-toxic and are environmentally friendly. Sophorolipid production was carried out using glucose as the hydrophilic source and lauryl alcohol C12-14, as the hydrophobic source using Candida bombicola ATCC 22214. Primary characterization of the SL obtained using lauryl alcohol (SLLA) was done by FTIR which depicted the presence of alkyl sophorosides/SLs. Antimicrobial activity testing revealed that SLLA showed complete inhibition against gram negative bacteria, Escherichia coli (ATCC 8739) Pseudomonas aeruginosa (ATCC 9027) at 30 and 1 mu g/ml at a contact time of 2 and 4 h respectively. Whereas for gram positive bacteria Staphylococcus aureus (ATCC 6358), Bacillus subtilis (ATCC 6633), complete inhibition was observed at 6 and 1 mu g/ml respectively at a contact time of 4 h. The formed SLLA showed noteworthy inhibition against the pathogenic yeast Candida albicans (ATCC 2091) at 50 mu g/ml with a contact time of 4 h. These values are remarkably low compared to reported values of oleic acid SLs and linolenic acid SLs which were studied for antimicrobial properties. Scanning electron microscopy analysis of the treated cells revealed the changes in morphology and topography of the microorganisms.

}, keywords = {Antimicrobial property, Biosurfactants, Candida bombicola, Lauryl alcohol, sophorolipids}, issn = {1097-3958}, doi = {10.1007/s11743-013-1495-8}, author = {Dengle-Pulate, Vrushali and Chandorkar, Parul and Bhagwat, Sunil S. and Prabhune, Asmita Ashutosh} } @article {43379, title = {Aptamer functionalized multifunctional fluorescent nanotheranostic platform for pancreatic cancer}, journal = {Journal of Nanopharm Drug Delivery}, year = {2014}, month = {DEC}, abstract = {This study explores the potential of aptamer functionalized and fluorescent silver nanoparticles (AgNPs) labeled human serum albumin nanoparticles for drug delivery and bioimaging. Nanotechnology is certainly the most promising research arena in recent years and different fields of biotechnology, medicine and agricultural have been deeply benefited by the enormous advantages of nanotechnology. In recent years, synthesis of nanoparticles via eco-friendly methods has attained a lot of interest and silver nanoparticles are synthesized extensively due to their size tunable properties and vast applicability in different areas. In this study we have explored green synthesized fluorescent silver nanoparticles as a novel bioimaging agent for pancreatic cancer. Capsaicin, a plant phytochemical found in red chilli pepper was encapsulated in aptamer MUC-1 coupled albumin nanoparticles and it was observed that the nanoformulation significantly enhanced the bioavailability and sustained release property of the drug to pancreatic cancer cells in-vitro. Meanwhile AgNPs mediated excellent bioimaging has enhanced the efficacy of our system as drug delivery vehicle.}, doi = {10.1166/jnd.2014.1070}, author = {Nigam, Preeti and Waghmode, Shobha A. and Yeware, Amar M. and Nawale, Laxman U. and Dagde, Priyanka and Dudhane, Amol and Sarkar, Dhiman} } @article { ISI:000343905600003, title = {Arthrobacter enclensis sp. nov., isolated from sediment sample}, journal = {Archives of Microbiology}, volume = {196}, number = {11}, year = {2014}, month = {NOV}, pages = {775-782}, publisher = {SPRINGER}, type = {Article}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

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

}, keywords = {Arthrobacter, Chorao Island, Marine sediment, Polyphasic}, issn = {0302-8933}, doi = {10.1007/s00203-014-1016-9}, author = {Dastager, Syed Gulam and Qin, Liu and Tang, Shan-Kun and Krishnamurthi, Srinivasan and Lee, Jae-Chan and Li, Wen-Jun} } @article { ISI:000343905600004, title = {Arthrobacter enclensis sp. nov., isolated from sediment sample (vol 196, pg 775, 2014)}, journal = {Archives of Microbiology}, volume = {196}, number = {11}, year = {2014}, month = {NOV}, pages = {783}, publisher = {SPRINGER}, type = {Correction}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, issn = {0302-8933}, doi = {10.1007/s00203-014-1041-8}, author = {Dastager, Syed Gulam and Liu, Qing and Tang, Shan-Kun and Krishnamurthi, Srinivasan and Lee, Jae-Chan and Li, Wen-Jun} } @article { ISI:000342761600095, title = {Asymmetric transfer hydrogenation of imines in water/methanol co-solvent system and mechanistic investigation by DFT study}, journal = {RSC Advances}, volume = {4}, number = {86}, year = {2014}, month = {SEP}, pages = {46351-46356}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Asymmetric transfer hydrogenation of various cyclic imines proceeded efficiently with water/methanol co-solvent media in 20 min with excellent yields and enantioselectivities by employing Rh-TsDPEN catalyst and sodium formate as a hydrogen donor. The role of the co-solvent in enhanced productivity of the reaction was investigated by DFT. The mechanism for ATH of the imines has been discussed on the basis of the DFT study.

}, issn = {2046-2069}, doi = {10.1039/c4ra07964g}, author = {Shende, Vaishali S. and Shingote, Savita K. and Deshpande, Sudhindra H. and Kuriakose, Nishamol and Vanka, Kumar and Kelkar, Ashutosh A.} } @article { ISI:000329293600019, title = {Bacillus enclensis sp nov., isolated from sediment sample}, journal = {Antonie Van Leeuwenhoek International Journal of General and Molecular Microbiology}, volume = {105}, number = {1}, year = {2014}, month = {JAN}, pages = {199-206}, publisher = {SPRINGER}, type = {Article}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

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

}, keywords = {Bacillus sp, Marine sediment, Polyphasic}, issn = {0003-6072}, doi = {10.1007/s10482-013-0066-3}, author = {Dastager, Syed Gulam and Mawlankar, Rahul R. and Tang, Shan-Kun and Srinivasan, Krishnamurthi and Ramana, V. Venkata and Shouche, Yogesh S.} } @article { ISI:000333477500018, title = {Base-stimulated 1,2-, 1,4-, and 1,6-eliminations in suitably substituted alkylidenesuccinates leading to natural and unnatural conjugated alkenyl(methyl)maleic anhydrides}, journal = {Journal of Organic Chemistry}, volume = {79}, number = {6}, year = {2014}, month = {MAR}, pages = {2538-2546}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

With dimethyl maleate as the starting material, facile stereoselective syntheses of natural and unnatural conjugated alkenyl(methyl)maleic anhydrides have been described. The key reactions were base-endorsed novel 1,2-, 1,4-, and 1,6-eliminations in the corresponding alkylidenesuccinate derivatives. The 1,2-eliminations in cyclic carbonate and sulfite by regioselective abstraction of methine protons with the respective release of CO2 and SO2 provided a conjugated ketone product. The characteristic 1,4- and 1,6-elimination reactions with respective release of acetone and mesylate furnished the corresponding unsaturated alcohols. The obtained allylic alcohols were transformed into conjugated alkenyl(methyl)maleic anhydrides via oxidation followed by a Horner-Wadsworth-Emmons reaction pathway in very good yields. The mechanistic aspects involved in these significant elimination reactions have also been described in brief.

}, issn = {0022-3263}, doi = {10.1021/jo402857r}, author = {Deore, Prashant S. and N. P. Argade} } @article { ISI:000339012400004, title = {Biocatalyst mediated functionalization of salannin, an insecticidal limonoid}, journal = {RSC Advances}, volume = {4}, number = {53}, year = {2014}, month = {JUN}, pages = {27661-27664}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Transformation of salannin, an insecticidal C-seco limonoid was investigated using a fungal system, Cunninghamella echinulata. Salannin was efficiently converted into two metabolites, where the C-17 furan moiety was transformed into gamma-hydroxybutenolide (salanninolide) and N-(2-hydroxyethyl)-alpha,beta-unsaturated-gamma-lactam (salanninactam) analogues. Present studies have indicated salanninolide to be a metabolite in the C-seco limonoid biosynthetic pathway.

}, issn = {2046-2069}, doi = {10.1039/c4ra04652h}, author = {Haldar, Saikat and Kolet, Swati P. and Dandekar, Devdutta S. and Kale, Balaji S. and Gonnade, Rajesh G. and Thulasiram, Hirekodathakallu V.} } @article { ISI:000330790100004, title = {Biocatalyst mediated regio- and stereo-selective hydroxylation and epoxidation of (Z)-alpha-santalol}, journal = {Organic \& Biomolecular Chemistry}, volume = {12}, number = {7}, year = {2014}, month = {JAN}, pages = {1048-1051}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

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

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

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

}, keywords = {Artificial immune systems, Artificial neural networks, Batch reactor, Genetic algorithms, Sensitivity analysis}, issn = {0263-8762}, doi = {10.1016/j.cherd.2013.10.017}, author = {Hamid, Aashti and Deshpande, Aniruddha S. and Badhe, Yogesh P. and Barve, Prashant P. and Tambe, Sanjeev S. and Kulkarni, Bhaskar D.} } @article { ISI:000327915300016, title = {Calcium oxide supported gold nanoparticles as catalysts for the selective epoxidation of styrene by t-butyl hydroperoxide}, journal = {Journal of Colloid and Interface Science}, volume = {415}, year = {2014}, month = {FEB}, pages = {111-116}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

Gold nanoparticles are deposited on basic CaO supports as catalysts for the selective conversion of styrene into styrene oxide. Synthetic methods, gold loading and calcination temperatures are varied to permit an understanding of their influence on gold nanoparticle size, the presence of cationic gold species and the nature of interaction between the gold nanoparticles and the CaO support. Based on these studies, optimal conditions are designed to make the Au/CaO catalyst efficient for the selective epoxidation of styrene. (C) 2013 Elsevier Inc. All rights reserved.

}, keywords = {Au/CaO, Epoxidation of styrene, gold nanoparticles, Homogenous deposition precipitation method, Styrene oxide}, issn = {0021-9797}, doi = {10.1016/j.jcis.2013.10.016}, author = {Dumbre, Deepa K. and Choudhary, Vasant R. and Patil, Nilesh S. and Uphade, Balu S. and Bhargava, Suresh Kumar} } @article { ISI:000343026600023, title = {Cationic charged helical glycopolypeptide using ring opening polymerization of 6-deoxy-6-azido-glyco-N-carboxyanhydride}, journal = {Biomacromolecules}, volume = {15}, number = {10}, year = {2014}, month = {OCT}, pages = {3679-3686}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Glycopolypeptides with a defined secondary structure are of significance in understanding biological phenomena. Synthetic glycopolypeptides, or polypeptides featuring pendant carbohydrate moieties, have been of particular interest in the field of tissue engineering and drug delivery. In this work, we have synthesized charged water-soluble glycopolypeptides that adopt a helical conformation in water. This was carried out by the synthesis of a glyco-N-carboxyanhydride (glyco-NCA) containing an azide group at the sixth position of the carbohydrate ring. Subsequently, the NCA was polymerized to obtain azide-containing glycopolypeptides having good control over molecular weight and polydispersity index (PDI) in high yields. We were also able to control the incorporation of the azide group by synthesizing random co-glycopolypeptide containing 6-deoxy-6-azido and regular 6-OAc functionalized glucose. This azide functionality allows for the easy attachment of a bioactive group, which could potentially enhance the biological activity of the glycopolypeptide. We were able to obtain water-soluble charged glycopolypeptides by both reducing the azide groups into amines and using CuAAC with propargylamine. These charged glycopolypeptides were shown to have a helical conformation in water. Preliminary studies showed that these charged glycopolypeptides showed good biocompatibility and were efficiently taken up by HepG2 cells.

}, issn = {1525-7797}, doi = {10.1021/bm5009537}, author = {Shaikh, Ashif Y. and Das, Soumen and Pati, Debasis and Dhaware, Vinita and Sen Gupta, Sayam and Hotha, Srinivas} } @article { ISI:000342161600057, title = {Cellulose supported cuprous iodide nanoparticles (Cell-CuI NPs): a new heterogeneous and recyclable catalyst for the one pot synthesis of 1,4-disubstituted-1,2,3-triazoles in water}, journal = {RSC Advances}, volume = {4}, number = {79}, year = {2014}, month = {SEP}, pages = {42137-42146}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Cellulose supported cuprous iodide nanoparticles (Cell-CuI NPs) have been demonstrated for the first time as an efficient heterogeneous catalyst in the click synthesis of 1,4-disubstituted 1,2,3-triazoles by a one-pot three component reaction between aralkyl/alkyl bromides, alkynes and sodium azide in water. The catalyst has been characterized by XRD, HRTEM, SEM, ICP-AES, EDS as well as IR spectroscopy. It was found to be reusable for five consecutive runs without significant loss of activity.

}, issn = {2046-2069}, doi = {10.1039/c4ra05080k}, author = {Chavan, Pramod V. and Pandit, Kapil S. and Desai, Uday V. and Kulkarni, Makarand A. and Wadgaonkar, Prakash P.} } @article { ISI:000347265700005, title = {Characterization, non-isothermal decomposition kinetics and photocatalytic water splitting of green chemically synthesized polyoxoanions of molybdenum containing phosphorus as hetero atom}, journal = {Thermochimica Acta}, volume = {596}, year = {2014}, month = {NOV}, pages = {29-36}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

In here, the green synthesis and thermal characterization of a novel polyoxoanions of molybdenum containing phosphorus as hetero atom are reported. The composition and morphology of the nanorods were established by fourier transform infrared spectroscopy (FT-IR), scanning electron microscopy (SEM), transmission electron microscopy (TEM), thermogravimetric analysis (TGA) and inductively coupled plasma atomic emission spectroscopic (ICP-AES) techniques. Thermal properties of the nanoparticles were investigated by non-isothermal analysis under nitrogen atmosphere. The values activation energy of each stage of thermal decomposition for all heating rates was calculated by Flynn-Wall-Ozawa (FWO) and Kissinger-Akahira-Sunnose (KAS) methods. Invariant kinetic parameter (IKP) method and master plot methodmere also used to evaluate the kinetic parameters and mechanism for the thermal decomposition of cetylpyridinium phosphomolybdate (CPM). Photocatalytic water oxidation mechanism using CPM catalyst in the presence of platinum (Pt) co-catalyst enhances the H-2 evolution and was found to be 1.514 mmol/g/h. (C) 2014 Elsevier B.V. All rights reserved.

}, keywords = {Keggin structure, Master plot method, Polyoxometalate, Water oxidation}, issn = {0040-6031}, doi = {10.1016/j.tca.2014.09.010}, author = {D{\textquoteright}Cruz, Bessy and Samuel, Jadu and George, Leena} } @article { ISI:000344825300009, title = {Chiron approach to formal synthesis of both antipodes of cis 3-hydroxypipecolic acid}, journal = {Tetrahedron Letters}, volume = {55}, number = {47}, year = {2014}, month = {NOV}, pages = {6423-6426}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The efficient and practical formal syntheses of both enantiomers of cis 3-hydroxypipecolic acid were accomplished from cis aziridine-2-carboxylate as the common synthetic precursor. The key steps involved are stereo and regioselective aziridine ring opening, reductive cyclization and selective N-debenzylation over O-debenzylation reactions. (C) 2014 Elsevier Ltd. All rights reserved.

}, keywords = {3-Hydroxypipecolic acid, Aziridine ring opening, Aziridine-2-carboxylate, Piperidine alkaloids, Selective debenzylation}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2014.09.118}, author = {Chavan, Subhash P. and Khairnar, Lalit B. and Chavan, Prakash N. and Dumare, Nilesh B. and Kalbhor, Dinesh B. and Gonnade, Rajesh G.} } @article { ISI:000330822900026, title = {Clay encapsulated Cu(OH)(x) promoted homocoupling of arylboronic acids: an efficient and eco-friendly protocol}, journal = {Applied Catalysis A-General}, volume = {470}, year = {2014}, month = {JAN}, pages = {232-238}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Cu(OH)(x) has been encapsulated over montmorillonite-KSF by simple ologomeric deposition strategy. The resulting catalyst has been employed for selective homocoupling of arylboronic acids under ambient conditions without requirement of any ligand or base. This catalyst is easy to recover and shows excellent reusability without losing its activity. Techniques like XRD, SEM, TPR, IR, BET surface area measurement and XPS were used to characterize the catalyst. The present method promises for the simple and clean homocoupling of arylboronic acids. (C) 2013 Elsevier B.V. All rights reserved.

}, keywords = {Biaryls, clay, Copper, Heterogenous catalyst, Homocoupling}, issn = {0926-860X}, doi = {10.1016/j.apcata.2013.10.048}, author = {Dar, Bashir Ahmad and Singh, Snehil and Pandey, Nalini and Singh, A. P. and Sharma, Priti and Lazar, Anish and Sharma, Meena and Vishwakarma, Ram A. and Singh, Baldev} } @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:000329299200005, title = {Comparison of sodium zirconium phosphate and calcium zirconium phosphate structures for the retention of fluoride}, journal = {Journal of Radioanalytical and Nuclear Chemistry}, volume = {299}, number = {1}, year = {2014}, month = {JAN}, pages = {19-24}, publisher = {SPRINGER}, type = {Article}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

Fluoride anion interaction has been explored for the first time to investigate how the structure of sodium zirconium phosphate (NZP) and calcium zirconium phosphate (CZP) can be altered in its presence. Different compositions were made by adding NaF and CaF2 in CZP and NZP matrices respectively. Fluoride interaction differs with NZP and CZP structure as suggested by F-NMR data. The addition of fluoride to the NZP or CZP structure enables to stabilize the structure at a low temperature of 600-700 A degrees C under microwave conditions.

}, keywords = {F-NMR, Fluoride characterization, Microwave, NZP, PIGE}, issn = {0236-5731}, doi = {10.1007/s10967-013-2741-2}, author = {Dey, Ambarish and Das Gupta, Amit and Basu, Debrata and Ambashta, Ritu D. and Wattal, P. K. and Kumar, Sanjiv and Body, Monique and Rajamohanan, P. R.} } @article { ISI:000342927000001, title = {Concise account of the chemistry of valuable alkyl(methyl)maleic anhydrides}, journal = {Synthesis-Stuttgart}, volume = {46}, number = {20}, year = {2014}, month = {OCT}, pages = {2683-2700}, publisher = {GEORG THIEME VERLAG KG}, type = {Review}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

A large number of significant bioactive natural and synthetic alkyl(methyl)maleic anhydrides are known in the contemporary literature. A broad range of suitably functionalized substrates have been tailored to accomplish concise and efficient syntheses of an array of alkyl(methyl)maleic anhydrides employing a variety of elegant synthetic strategies. This review presents a brief literature account of the isolation and activity of these important target compounds with a special emphasis on their synthesis.

}, keywords = {alkyl(methyl)maleic anhydrides, bioactivity, dimethylmaleic anhydride, isolation, nucleophilic reactions, Total synthesis}, issn = {0039-7881}, doi = {10.1055/s-0034-1378665}, author = {Deore, Prashant S. and Haval, Kishan P. and Gadre, Smita R. and N. P. Argade} } @article { ISI:000328606500015, title = {Concise enantioselective syntheses of (+)-L-733,060 and (2S,3S)-3-hydroxypipecolicw acid by cobalt(III)(salen)-catalyzed two-stereocenter hydrolytic kinetic resolution of racemic azido epoxides}, journal = {Synlett}, volume = {25}, number = {1}, year = {2014}, month = {JAN}, pages = {102-104}, publisher = {GEORG THIEME VERLAG KG}, type = {Article}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

An efficient synthesis of the 2,3-disubstituted piperidines (+)-L-733,060 and (2S,3S)-3-hydroxypipecolic acid (99\% ee) in high optical purity from commercially available starting materials is described. The strategy involves a cobalt-catalyzed hydrolytic kinetic resolution of a racemic azido epoxide with two stereocenters and an intramolecular reductive cyclization as key reactions.

}, keywords = {azides, cyclizations, epoxides, piperidines, stereoselective synthesis, Wittig reactions}, issn = {0936-5214}, doi = {10.1055/s-0033-1340074}, author = {Devalankar, Dattatray A. and Chouthaiwale, Pandurang V. and Sudalai, Arumugam} } @article { ISI:000332388900042, title = {Confined space synthesis of fully alloyed and sinter-resistant AuPd nanoparticles encapsulated in porous silica}, journal = {Journal of Materials Chemistry A}, volume = {2}, number = {12}, year = {2014}, month = {JAN}, pages = {4398-4405}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Facile synthesis of highly sinter-resistant silica encapsulated Au-Pd alloy nanocatalysts with average particle size stabilized at similar to 4.5 nm even after calcination at 750 degrees C temperature is reported. The synthesis was achieved by utilizing thiol protected ultra small clusters of Au and Pd as precursors for silica encapsulation. The presence of intimate mixtures of the clusters within silica encapsulation ensures the formation of fully alloyed nanoparticles at high temperatures, at the same time controlling further growth and sintering. At optimum alloy compositions, these catalysts showed high catalytic activity for CO oxidation displaying low light-off temperatures.

}, issn = {2050-7488}, doi = {10.1039/c3ta15194h}, author = {Samanta, Anupam and Rajesh, Thattarathody and Devi, R. Nandini} } @article { ISI:000334572800050, title = {Controlling the cell adhesion property of silk films by graft polymerization}, journal = {ACS Applied Materials \& Interfaces}, volume = {6}, number = {7}, year = {2014}, month = {APR}, pages = {5005-5011}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

We report here a graft polymerization method to improve the cell adhesion property of Bombyx mori silk fibroin films. B. mori silk has evolved as a promising material for tissue engineering because of its biocompatibility and biodegradability. However, silk{\textquoteright}s hydrophobic character makes cell adhesion and proliferation difficult. Also, the lack of sufficient reactive amino acid residues makes biofunctionalization via chemical modification challenging. Our study describes a simple method that provides increased chemical handles for tuning of the surface chemistry of regenerated silk films (SFs), thus allowing manipulation of their bioactivity. By grafting pAAc and pHEMA via plasma etching, we have increased carboxylic acid and hydroxyl groups on silk, respectively. These modifications allowed us to tune the hydrophilicity of SFs and provide functional groups for bioconjugation. Our strategy also allowed us to develop silk-based surface coatings, where spatial control over cell adhesion can be achieved. This control over cell adhesion in a particular region of the SFs is difficult to obtain via existing methods of modifying the silk fibroin instead of the SF surface. Thus, our strategy will be a valuable addition to the toolkit of biofunctionalization for enhancing SFs{\textquoteright} tissue engineering applications.

}, keywords = {Bombyx mori, polymer grafting cell adhesion, silk films}, issn = {1944-8244}, doi = {10.1021/am4060595}, author = {Dhyani, Vartika and Singh, Neetu} } @article {43370, title = {Conversion of hemicellulose using acidic ionic liquids}, number = {PCT/IN2015/050007}, year = {2014}, month = {JAN}, abstract = {The present invention discloses one pot process for the conversion of hemicellulose into C5 sugars using ionic liquids in water media.}, author = {Dhepe, Paresh Laxmikant and Matsagar, Babasaheb Mansub} } @article {46381, title = {Covalent organic framework thin-films for molecular separation}, journal = {Acta Crystallographica A-Foundation and Advances}, volume = {70}, year = {2014}, month = {MAY}, pages = {C547}, type = {Meeting Abstract}, keywords = {Covalent organic framework, Separation, Thin-films}, issn = {2053-2733}, author = {Dey, Kaushik and Banerjee, Rahul} } @article { ISI:000345234900039, title = {Covalent organic framework-cadmium sulfide hybrid as a prototype photocatalyst for visible-light-driven hydrogen production}, journal = {Chemistry A-European Journal}, volume = {20}, number = {48}, year = {2014}, month = {NOV}, pages = {15961-15965}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

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

}, keywords = {charge transfer, covalent organic frameworks, hybrid materials, hydrogen production, Photocatalysis}, issn = {0947-6539}, doi = {10.1002/chem.201403800}, author = {Thote, Jayshri and Aiyappa, Harshitha Barike and Deshpande, Aparna and Diaz, David Diaz and Kurungot, Sreekumar and Banerjee, Rahul} } @article {46380, title = {Crystal engineering principles: fluoroquinolone salts}, journal = {Acta Crystallographica A-Foundation and Advances}, volume = {70}, year = {2014}, month = {APR}, pages = {C413}, type = {Meeting Abstract}, keywords = {ciprofloxacin, Fluoroquinolone, norfloxacin}, issn = {2053-2733}, author = {Dandela, Rambabu and Nangia, Ashwini} } @article { ISI:000330340200002, title = {Crystalline metal-organic frameworks (MOFs): synthesis, structure and function}, journal = {Acta Crystallographica Section B-Structural Science}, volume = {70}, number = {1, SI}, year = {2014}, month = {FEB}, pages = {3-10}, publisher = {WILEY-BLACKWELL}, type = {Article}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Metal-organic frameworks (MOFs) are a class of hybrid network supramolecular solid materials comprised of organized organic linkers and metal cations. They can display enormously high surface areas with tunable pore size and functionality, and can be used as hosts for a range of guest molecules. Since their discovery, MOFs have experienced widespread exploration for their applications in gas storage, drug delivery and sensing. This article covers general and modern synthetic strategies to prepare MOFs, and discusses their structural diversity and properties with respect to application perspectives.

}, issn = {0108-7681}, doi = {10.1107/S2052520613029557}, author = {Dey, Chandan and Kundu, Tanay and Biswal, Bishnu P. and Mallick, Arijit and Banerjee, Rahul} } @article { ISI:000335551200002, title = {C@SiNW/TiO2 core-shell nanoarrays with sandwiched carbon passivation layer as high efficiency photoelectrode for water splitting}, journal = {Scientific Reports}, volume = {4}, year = {2014}, month = {MAY}, pages = {4897}, publisher = {NATURE PUBLISHING GROUP}, type = {Article}, address = {MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND}, abstract = {

One-dimensional heterostructure nanoarrays are efficiently promising as high performance electrodes for photo electrochemical (PEC) water splitting applications, wherein it is highly desirable for the electrode to have a broad light absorption, efficient charge separation and redox properties as well as defect free surface with high area suitable for fast interfacial charge transfer. We present highly active and unique photoelectrode for solar H-2 production, consisting of silicon nanowires (SiNWs)/TiO2 core-shell structures. SiNWs are passivated to reduce defect sites and protected against oxidation in air or water by forming very thin carbon layer sandwiched between SiNW and TiO2 surfaces. This carbon layer decreases recombination rates and also enhances the interfacial charge transfer between the silicon and TiO2. A systematic investigation of the role of SiNW length and TiO2 thickness on photocurrent reveals enhanced photocurrent density up to 5.97 mA/cm(2) at 1.0 V vs. NHE by using C@SiNW/TiO2 nanoarrays with photo electrochemical efficiency of 1.17\%.

}, issn = {2045-2322}, doi = {10.1038/srep04897}, author = {Devarapalli, Rami Reddy and Debgupta, Joyashish and Pillai, Vijayamohanan K. and Shelke, Manjusha V.} } @article { ISI:000331347300019, title = {Culturable bacterial phylogeny from a shallow water hydrothermal vent of espalamaca (Faial, Azores) reveals a variety of novel taxa}, journal = {Current Science}, volume = {106}, number = {1}, year = {2014}, month = {JAN}, pages = {58-69}, publisher = {INDIAN ACAD SCIENCES}, type = {Article}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

Phylogenetic diversity of the 16S rRNA gene associated with the domain bacteria was examined at the level of operational taxonomic units (OTUs) using the rarefaction analysis from a newly identified shallow water hydrothermal vent, Espalamaca in the Azorean Island Faial (Horta), North Atlantic Ocean. Diluted sea water nutrient agar amended with metals manganese, lead, iron and element sulphur, could help in retrieving highest OTUs (95) from the vent and 39 OTUs from nonvent. Molecular tools implemented on bacterial census indicated the occupancy of gamma-Proteobacteria by 55.78\%, alpha-Proteobacteria by 21.05\% and 12.63\% of Bacteroidetes in the total population. Occurrence of novel species maximized with alpha-Proteobacteria (11/20) followed by Bacteroidetes (5/12) signified the necessity of studying these groups to strengthen the biodiversity database. Shannon index (H{\textquoteright}) and the Chao I richness estimator illustrated a strong bacterial community in the venting area. The current study confers many bacterial genera which were not reported earlier in any of the shallow water vents and adds 33 new taxa to the database.

}, keywords = {Bacterial phylogeny, metals, novel taxa, rarefaction analysis, shallow vent}, issn = {0011-3891}, author = {Rajasabapathy, Raju and Mohandass, Chellandi and Colaco, Ana and Dastager, Syed Gulam and Santos, Ricardo Serrao and Meena, Ram Murti} } @article { ISI:000334902400006, title = {Defects in chemically synthesized and thermally processed ZnO nanorods: implications for active layer properties in dye-sensitized solar cells}, journal = {Inorganic Chemistry}, volume = {53}, number = {8}, year = {2014}, month = {APR}, pages = {3961-3972}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

We have carried out the effect of post annealing temperatures on the performance of solution-grown ZnO rods as photoanodes in dye-sensitized solar cells. Keeping our basic objective of exploring the effect of native defects on the performance of DSSC, we have synthesized ZnO rods having length in the range of 2-5 mu m by a modified sonication-induced precipitation technique. We performed extensive characterization on the samples annealed at various temperatures and confirmed that annealing at 300 degrees C results in ZnO rods with minimum native defects that have been identified as doubly ionized oxygen vacancies. The electron paramagnetic resonance measurements on the samples, on the other hand, confirmed the presence of shallow donors in the low temperature annealed samples. We also carried out electrochemical impedance measurements to understand the transport properties at different interfaces in the solar cell assembly. We could conclude that solution-processed ZnO rods annealed at 300 degrees C are better suited for fabricating DSSC with improved efficiency (1.57\%), current density (5.11 mA/cm(2)), and fill factor (45.29\%). On the basis of our results, we were able to establish a close connection between the defects in the metal oxide electron transporting nano system and the DSSC performance.

}, issn = {0020-1669}, doi = {10.1021/ic500279q}, author = {Das, Partha Pratim and Agarkar, Shruti A. and Mukhopadhyay, Soumita and Manju, Unnikrishnan and Ogale, Satishchandra B. and Devi, P. Sujatha} } @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:000341619500004, title = {Design of efficient metal-free organic dyes having an azacyclazine scaffold as the donor fragment for dye-sensitized solar cells}, journal = {Journal of Physical Chemistry C}, volume = {118}, number = {36}, year = {2014}, month = {SEP}, pages = {20763-20771}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The energy conversion efficiency of dye-sensitized solar cells derived from organic dye molecules has seen immense interest recently. In this work, we report a series of organic donor molecules with enhanced energy conversion efficiency using ?-spacers and cyanoacrylic acid as an anchoring group (2-6). Density functional theory (DFT) and time-dependent DFT calculations of these molecules have been performed to examine their electronic structures and absorption spectra before and after binding to the semiconductor titanium dioxide surface. The computational results suggest that dyes 4 and 6 have a larger driving force (Delta G(inject) = -1.66 and -1.80 eV, respectively) and light-harvesting efficiency (LHE = 0.99) in the series of donor molecules studied. Thus, these dyes should possess a larger short-circuit photocurrent density (J(sc)) compared to the other examined dyes. The reported Delta G(inject) (-1.62 eV) and LHE (0.98) for compound 1, calculated with the same level of theory, were lower than those of the designed 4 and 6 dyes. Furthermore, the DFT calculations showed that the open-circuit photovoltage (V-oc) is improved with the vertical dipole moment and number of photoinjected electrons for 4 and 6. Dyes 4 and 6 are expected to exhibit high solar-energy-to-electricity conversion.

}, issn = {1932-7447}, doi = {10.1021/jp5049953}, author = {Biswas, Abul Kalam and Barik, Sunirmal and Sen, Anik and Das, Amitava and Ganguly, Bishwajit} } @article { ISI:000337149900033, title = {Design, synthesis and cytotoxicity of novel N-benzylpiperidin-4-one oximes on human cervical cancer cells}, journal = {Journal of Chemical Sciences}, volume = {126}, number = {3}, year = {2014}, month = {MAY}, pages = {861-873}, publisher = {INDIAN ACAD SCIENCES}, type = {Article}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

A series of fifteen diversified N-benzylpiperidin-4-one oximes were synthesized and characterized by their NMR spectral data. Additionally, single-crystal XRD analysis was performed for the representative symmetrically and unsymmetrically substituted molecules. All the synthesized oximes from unsymmetrical ketones existed as E-isomer as witnessed by their NMR and XRD data. Among the synthesized target compounds that evaluated for their in vitro cytotoxicity against human cervical carcinoma (HeLa) cells, five compounds were potent with IC50 \< 17 mu M. 1-Benzyl-2,6-bis(4-isopropylphenyl)-3-methylpiperidin-4-one oxime 3c with an IC50 of 13.88 mu M was found to be the best active compound as depicted by the microscopic analysis.

}, keywords = {Cytotoxicity, HeLa cells, N-benzylpiperidin-4-one oximes, single-crystal XRD}, issn = {0974-3626}, doi = {10.1007/s12039-014-0622-z}, author = {Dindulkar, Someshwar D. and Bhatnagar, Ira and Gawade, Rupesh L. and Puranik, Vedavati G. and Kim, Se-Kwon and Anh, Dong Hyun and Parthiban, Paramasivam and Jeong, Yeon Tae} } @article { ISI:000331803800085, title = {Determination of carrier lifetime and mobility in colloidal quantum dot films via impedance spectroscopy}, journal = {Applied Physics Letters}, volume = {104}, number = {6}, year = {2014}, month = {FEB}, pages = {063504}, publisher = {AMER INST PHYSICS}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {

Impedance Spectroscopy (IS) proves to be a powerful tool for the determination of carrier lifetime and majority carrier mobility in colloidal quantum dot films. We employ IS to determine the carrier lifetime in PbS quantum dot Schottky solar cells with Al and we verify the validity of the technique via transient photovoltage. We also present a simple approach based on an RC model that allows the determination of carrier mobility in PbS quantum dot films and we corroborate the results via comparison with space charge limited measurements. In summary, we demonstrate the potential of IS to characterize key-to-photovoltaics optoelectronic properties, carrier lifetime, and mobility, in a facile way. (C) 2014 AIP Publishing LLC.

}, issn = {0003-6951}, doi = {10.1063/1.4865089}, author = {Rath, Arup Kumar and Lasanta, Tania and Bernechea, Maria and Diedenhofen, Silke L. and Konstantatos, Gerasimos} } @article { ISI:000344448000007, title = {Development of bioconjugate from streptomyces tyrosinase and gold nanoparticles for rapid detection of phenol constituents}, journal = {Indian Journal of Experimental Biology}, volume = {52}, number = {11}, year = {2014}, month = {NOV}, pages = {1071-1081}, publisher = {NATL INST SCIENCE COMMUNICATION-NISCAIR}, type = {Article}, address = {DR K S KRISHNAN MARG, PUSA CAMPUS, NEW DELHI 110 012, INDIA}, abstract = {

Most of the phenol compounds are toxic and have been considered as hazardous pollutants. Several physicochemical and biological methods are available to detect and monitor the phenol pollutants in water and soil. In the present study, phenol constituents of winery, paper and plastic industrial effluents were successfully detected employing tyrosinase-gold nanoparticles bioconjugate. The synthesis of extracellular tyrosinase and gold nanoparticles was achieved by a single isolate of Streptomyces sp. DBZ-39. Enhanced production (369.41 IU) of tyrosinase was produced in submerged bioprocess employing response surface method with central composite design. Extracellular gold nanoparticles synthesized (12-18 nm) by Streptomyces sp. DBZ-39 were characterized with TEM, EDAX and FTIR analysis. A rapid detection (within 10 min) of phenol constituents from winery effluents was achieved by bioconjugate, when compared to tyrosinases and gold nanoparticles independently. Streptomyces tyrosinase could exhibit relatively a better performance than commercially available mushroom tyrosinase in the detection of phenol constituents. Winery effluent has shown much higher content (0.98 O.D) of phenol constituents than paper and plastic effluents based on the intensity of color and U.V absorption spectra.

}, keywords = {Bioconjugate, gold nanoparticles, Phenol detection, Streptomyces, Tyrosinase}, issn = {0019-5189}, author = {Zainab, Mazhari Bi Bi and Madhusudhan, D. N. and Raghavendra, H. and Dastager, Syed Gulam and Dayanand, Agsar} } @article { ISI:000339727800002, title = {Dimorphism and hydrocarbon metabolism in Yarrowia lipolytica var. indica}, journal = {Archives of Microbiology}, volume = {196}, number = {8}, year = {2014}, month = {AUG}, pages = {545-556}, publisher = {SPRINGER}, type = {Article}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Yarrowia lipolytica is able to metabolize high Mr hydrophobic natural compounds such as fatty acids and hydrocarbons. Characteristically, strains of Y. lipolytica can grow as populations with variable proportions of yeast and filamentous forms. In the present study, we describe the dimorphic characteristics of a variant designated as Y. lipolytica var. indica isolated from petroleum contaminated sea water and the effect of cell morphology on hydrocarbon metabolism. The variant behaved as a yeast monomorphic strain, under conditions at which terrestrial Y. lipolytica strain W29 and its derived strains, grow as almost uniform populations of mycelial cells. Using organic nitrogen sources and N-acetylglucosamine as carbon source, var. indica was able to form mycelial cells, the proportion of which increased when incubated under semi-anaerobic conditions. The cell surface characteristics of var. indica and W29 were found to be different with respect to contact angle and percent hydrophobicity. For instance, percent hydrophobicity of var. indica was 89.93 +/- A 1.95 while that of W29 was 70.78 +/- A 1.1. Furthermore, while all tested strains metabolize hydrocarbons, only var. indica was able to use it as a carbon source. Yeast cells of var. indica metabolized hexadecane with higher efficiency than the mycelial form, whereas the mycelial form of the terrestrial strain metabolized the hydrocarbon more efficiently, as occurred with the mycelial monomorphic mutant AC11, compared to the yeast monomorphic mutant AC1.

}, keywords = {Hexadecane metabolism, Yarrowia lipolytica, Yeast-mycelium transition}, issn = {0302-8933}, doi = {10.1007/s00203-014-0990-2}, author = {Palande, A. S. and Kulkarni, S. V. and Leon-Ramirez, C. and Campos-Gongora, E. and Ruiz-Herrera, J. and Deshpande, Mukund V.} } @article { ISI:000341122200039, title = {Dinitrogen activation by silicon and phosphorus doped aluminum clusters}, journal = {Journal of Physical Chemistry C}, volume = {118}, number = {34}, year = {2014}, month = {AUG}, pages = {19869-19878}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

N-2 reduction is crucial for life, and very few catalysts are currently available to carry out this process at ambient temperature and pressure. In the present work, density functional theory based calculations reveal doped aluminum clusters to be highly reactive toward molecular nitrogen and hence are prospective materials for its activation at low temperatures. Calculations on silicon and phosphorus doped aluminum clusters with 5-8 atoms demonstrate an enhanced N-2 activation with respect to their pristine ground state and high energy counterparts. This increased efficiency of N-2 activation by doped ground state Al clusters is corroborated by an increment of the N N bond length, a red shift in N N bond stretching frequency, and adsorption energy (E-ad). Ab initio molecular-dynamics simulations demonstrate consequential efficiency of doped clusters toward dinitrogen activation at finite temperature. The ability of doped clusters toward activation of molecular nitrogen is site and shape sensitive. In short, this theoretical study highlights the critical role of doping foreign impurities for future endeavors in the design of cost-effective and efficient catalysts for N-2 activation at ambient temperatures. This observation may spur further studies in the field of aluminum nanocatalysis by doping silicon and phosphorus atom in aluminum clusters.

}, issn = {1932-7447}, doi = {10.1021/jp505700a}, author = {Das, Susanta and Pal, Sourav and Krishnamurty, Sailaja} } @article { ISI:000335947900023, title = {Disassembly of micelles in nanoscopic space to prepare concentric nanotubes with variable hydrophobic interiors}, journal = {Chemical Communications}, volume = {50}, number = {44}, year = {2014}, month = {APR}, pages = {5905-5908}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Nanotubes with variable hydrophobic interiors were prepared by disassembling anionic micelles in the inner walls of positive charge bearing conjugated polymer nanotubes.

}, issn = {1359-7345}, doi = {10.1039/c4cc00841c}, author = {Das, Chayanika and Krishnamoorthy, Kothandam} } @article { ISI:000337637100017, title = {Disordered mesoporous TiO2-xNx+Nano-Au: an electronically integrated nanocomposite for solar H-2 generation}, journal = {ChemCatChem}, volume = {6}, number = {2}, year = {2014}, month = {FEB}, pages = {522-530}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

We report on H-2 generation by photocatalysis driven by simulated white light by electronically integrated Au nanoparticles with multifunctional, disordered mesoporous TiO2-xNx (Au-NT) nanocomposites. Solar H-2 generation (1.5 mmolh(-1)g(-1)) from aqueous methanol has been demonstrated with Au-NT nanocomposites. The water splitting activity of Au-NT is attributed to the 21.1 ps lifetime of charge carriers observed from fluorescence lifetime measurements, which indicates a high electron-injection efficiency from nano-Au to the conduction band of TiO2, and hence charge separation as well as utilization. This is directly supported by the observation of a high photoluminescence emission intensity with Au-NT that highlights the energy transfer from nano-Au to TiO2. The p-n heterojunction observed between the Au (001) and TiO2 (101) facets helps to-wards the higher charge separation and their utilization. A low mesochannel depth (\< 10 nm) associated with disordered mesoporous TiO2-xNx helps the charge carriers to move towards the surface for redox reactions and hence charge utilization. Visible-light absorption, as a result of the surface plasmon resonance of nano-Au, is observed in a broad range between 500 and 750 nm, which helps in harvesting visible-light photons. Finally, electronically integrated nano-Au with TiO2-xNx in Au-NT is evident from Raman and X-ray photoelectron spectroscopy measurements. All of these factors help to achieve a high rate of H-2 production. It is likely that a higher rate of H-2 production than that reported here is feasible by strategically locating Au clusters in porous TiO2 to generate hot spots through electronic integration.

}, keywords = {heterogeneous catalysis, Hydrogen, mesoporous materials, photochemistry, water splitting}, issn = {1867-3880}, doi = {10.1002/cctc.201300715}, author = {Sivaranjani, Kumarsrinivasan and Rajaambal, Sivaraman and Das, Tanmay and Roy, Kanak and Bhattacharyya, Somnath and Gopinath, Chinnakonda S.} } @article { ISI:000337101800021, title = {Dissolvable metallohydrogels for controlled release: evidence of a kinetic supramolecular gel phase intermediate}, journal = {Chemical Communications}, volume = {50}, number = {53}, year = {2014}, month = {MAY}, pages = {7032-7035}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Two metallohydrogels based on an amino acid-based ligand and Zn(II) salts were synthesized. These hydrogels show an uncommon, reversible, time-dependent transformation from the opaque to transparent state. These hydrogels also exhibit gradual dissolution in water (pH \<= 7) over time. A water-soluble stimulant, caffeine, could be in situ loaded into the hydrogels and slowly released during dissolution.

}, issn = {1359-7345}, doi = {10.1039/c4cc02771j}, author = {Saha, Subhadeep and Bachl, Jurgen and Kundu, Tanay and Diaz, David Diaz and Banerjee, Rahul} } @article { ISI:000348622000027, title = {Domibacillus enclensis sp nov., isolated from marine sediment, and emended description of the genus domibacillus}, journal = {International Journal of Systematic and Evolutionary Microbiology}, volume = {64}, number = {12}, year = {2014}, month = {DEC}, pages = {4098-4102}, publisher = {SOC GENERAL MICROBIOLOGY}, type = {Article}, address = {MARLBOROUGH HOUSE, BASINGSTOKE RD, SPENCERS WOODS, READING RG7 1AG, BERKS, ENGLAND}, abstract = {

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

}, issn = {1466-5026}, doi = {10.1099/s.0.068924-0}, author = {Sonalkar, Vidya V. and Mawlankar, Rahul R. and Krishnamurthi, Srinivasan and Tang, Shan-Kun and Dastager, Syed Gulam} } @article { ISI:000334895800014, title = {Effect of method of preparation on hydrodesulphurization activity of Co- or Ni-promoted MoS2/SBA-15 catalysts}, journal = {Journal of Chemical Sciences}, volume = {126}, number = {2, SI}, year = {2014}, note = {21st National Symposium on Catalysis (CATSYMP), CSIR Indian Inst Chem Technol, Hyderabad, INDIA, FEB 11-13, 2013}, month = {MAR}, pages = {437-444}, publisher = {Catalysis Soc India}, type = {Article}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

Ordered mesoporous material SBA-15 was synthesized and used as a support for the preparation of molybdenum sulphide catalysts through precipitation from homogeneous solution (PFHS) technique with the Mo content varying from 2-12 wt\%. The prepared catalysts were evaluated for thiophene hydrodesulphurizadon catalytic activities at 400 degrees C. Catalysts prepared through PFHS method resulted in highly dispersed MoS2 catalysts, which were inferred from powder X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), low temperature oxygen chemisorptions (LTOC) and BET surface area analysis. The relationship between XPS intensity ratio, oxygen chemisorption and catalytic activities is discussed in terms of highly dispersed nano particles of MoS2 and its consequence in accommodating more promoted atoms at the edge sites.

}, keywords = {HDS, MoS2, PFHS method, promotional effects, SBA-15}, issn = {0974-3626}, author = {Garg, Shelu and Soni, Kapil and Prasad, V. V. D. N. and Kumar, Manoj and Bhaskar, Thallada and Gupta, J. K. and Dhar, G. Murali and Gopinath, Chinnakonda S.} } @article { ISI:000347498500064, title = {Effect of pt incorporation in LaBO3 (B = Mn, Fe, Co) perovskites on water gas shift activity}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {395}, year = {2014}, month = {DEC}, pages = {506-513}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Pt incorporated perovskites LaBO3 (B = Mn, Co, Fe) were synthesised and characterised to understand the charge state of Pt in these materials. At the temperature range used in this study, Pt could be stabilised in ionic form in Co and Fe perovskites but not in LaMnO3. Consequent to incorporation of Pt in +2 and +4 oxidation states, reduction in B site ion charge state occurred, enhancing oxygen vacancies. Pt doped Co and Fe perovskites showed high activity for CO conversion under water gas shift conditions but the activity characteristics were found to be different for the two catalysts; LaCo1-xPtxO3-delta showed methanation whereas the Fe counterpart was active in water gas shift reaction. It was also observed that methanation could be decreased and water gas shift enhanced in case of Pt doped Co perovskite when compared to Pt impregnated perovskite or mixed oxides. (C) 2014 Elsevier B.V. All rights reserved.

}, keywords = {Methanation, Perovskites, Pt doping, Water gas shift reaction, XANES}, issn = {1381-1169}, doi = {10.1016/j.molcata.2014.09.015}, author = {Rajesh, Thattarathody and Upadhyay, Anuj and Sinha, Anil K. and Deb, Sudip K. and Devi, R. Nandini} } @article { ISI:000335620500016, title = {Effect of self-assembly on triiodide diffusion in water based polymer gel electrolytes: an application in dye solar cell}, journal = {Journal of Colloid and Interface Science}, volume = {425}, year = {2014}, month = {JUL}, pages = {110-117}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

The preparation of ordered polymer gels from the amphiphilic block copolymers, Pluronic (R) F77, P123 and polyethylene glycol in the presence of ionic liquid, iodine and organic additives is presented. At 35\%(w/w) concentration these copolymers (F77 and P123) self-assembled into cubic liquid crystalline phase in aqueous solution and characterized by using SAXS and AFM measurements. The effects of micellar aggregation formed by polymers on the ionic transport and triiodide diffusion have been studied by electro-chemistry and SANS experiments. The ionic migration or triiodide diffusion through these polymer gels is found to be affected by the PEO/PPO content in the polymer backbone. These gels were successfully employed as an electrolyte in a dye sensitized solar cell. A remarkable solar to electricity conversion efficiency and good stability was obtained using Pluronic (R) F77 based gel, which is attributed to its thermoreversible sol to gel transition. (C) 2014 Elsevier Inc. All rights reserved.

}, keywords = {Amphiphilic block copolymer, Dye solar cell, Micellar nanochannels, SANS, SAXS, Self-assembly, Water based gel electrolytes}, issn = {0021-9797}, doi = {10.1016/j.jcis.2014.03.047}, author = {Soni, S. S. and Fadadu, K. B. and Vekariya, R. L. and Debgupta, Joyashish and Patel, K. D. and Gibaud, A. and Aswal, Vinod K.} } @article { ISI:000346624500002, title = {Efficient synthesis of 1,5-benzodiazepines catalyzed by bismuth nitrate}, journal = {Indian Journal of Chemistry Section B-Organic Chemistry including Medicinal Chemistry}, volume = {53}, number = {12}, year = {2014}, month = {DEC}, pages = {1561-1567}, publisher = {COUNCIL SCIENTIFIC \& INDUSTRIAL RES}, address = {ANUSANDHAN BHAWAN, 2 RAFI MARG, NEW DELHI, 110001, INDIA}, abstract = {

An efficient method has been developed for the synthesis of biologically active 1,5-benzodiazepines in one-pot by reacting o-phenylenediamine and ketones catalyzed by bismuth nitrate pentahydrate at room temperature or under microwave irradiation.

}, keywords = {1, 5-benzodiazepines, bismuth nitrate pentahydrate, o-Phenylenediamine, synthetic methods}, issn = {0376-4699}, author = {Bhattacharya, Asish K. and Dange, Santoshkumar S. and Polanki, Innaiah K. and Chand, Hemender R.} } @article { ISI:000339861500096, title = {Electrochemical preparation of vertically aligned, hollow CdSe nanotubes and their p-n junction hybrids with electrodeposited Cu2O}, journal = {Nanoscale}, volume = {6}, number = {15}, year = {2014}, month = {AUG}, pages = {9148-9156}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Vertically aligned, hollow nanotubes of CdSe are grown on fluorine doped tin oxide (FTO) coated glass substrates by ZnO nanowire template-assisted electrodeposition technique, followed by selective removal of the ZnO core using NH4OH. A detailed mechanism of nucleation and anisotropic growth kinetics of nanotubes have been studied by a combination of characterization tools such as chronoamperometry, SEM and TEM. Interestingly, {\textquoteleft}{\textquoteleft}as grown{\textquoteright}{\textquoteright} CdSe nanotubes (CdSe NTs) on FTO coated glass plates behave as n-type semiconductors exhibiting an excellent photo-response (with a generated photocurrent density value of similar to 470 mu A cm(-2)) white in contact with p-type Cu2O (p-type semiconductor, grown separately on FTO plates) because of the formation of a n-p heterojunction (type II). The observed photoresponse is 3 times higher than that of a similar device prepared with electrodeposited CdSe films (not nanotubes) and Cu2P on FTO. This has been attributed to the hollow 1-D nature of CdSe NTs, which provides enhanced inner and outer surface areas for better absorption of light and also assists faster transport of photogenerated charge carriers.

}, issn = {2040-3364}, doi = {10.1039/c3nr06917f}, author = {Debgupta, Joyashish and Devarapalli, Rami Reddy and Rahman, Shakeelur and Shelke, Manjusha V. and Pillai, Vijayamohanan K.} } @article { ISI:000344989500005, title = {Electrostatics determine vibrational frequency shifts in hydrogen bonded complexes}, journal = {Physical Chemistry Chemical Physics}, volume = {16}, number = {46}, year = {2014}, month = {OCT}, pages = {25247-25250}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The red-shifts in the acetylenic C-H stretching vibration of C-H center dot center dot center dot X (X = O, N) hydrogen-bonded complexes increase with an increase in the basicity of the Lewis base. Analysis of various components of stabilization energy suggests that the observed red-shifts are correlated with the electrostatic component of the stabilization energy, while the dispersion modulates the stabilization energy.

}, issn = {1463-9076}, doi = {10.1039/c4cp04617j}, author = {Dey, Arghya and Mondal, Sohidul Islam and Sen, Saumik and Ghosh, Debashree and Patwari, G. Naresh} } @article { ISI:000344389000066, title = {Emulsion ionic liquid membranes (EILMs) for removal of Pb(II) from aqueous solutions}, journal = {RSC Advances}, volume = {4}, number = {94}, year = {2014}, month = {OCT}, pages = {52316-52323}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Ionic liquids (ILs) are playing increasingly important roles in the membrane separation processes. The present manuscript discusses the removal of Pb(II) ions from aqueous solution using an emulsion ionic liquid membrane (EILM) process. Initially, the emulsion liquid membrane (ELM) was prepared by stirring strip phase (sulphuric acid) and organic phase (surfactant: span 80, extractant: D2EHPA, diluent: hexane) together under high speed agitation. Note that, the parameters of the ELM process such as emulsification speed, pH of the feed phase, treat ratio, extractant and surfactant concentrations were studied for the maximum removal of Pb(II) ions. The role of IL was explored by adding hydrophobic IL, octylmethylimidazole hexafluorophosphine ([OMIM][PF6]), in the organic phase. The performance of ELM with and without IL was compared on the basis of stability, enrichment factor and the removal efficiency for Pb(II). The results showed that the percentage of Pb(II) extraction was complete by the emulsion membrane with IL (EILM) in comparison to the 97\% achieved by neat ELM. Further, the stability and the enrichment factor of the EILM were found to be 2-3 times greater than that of the ELM. The FT-IR spectroscopic analysis revealed that bond interactions between IL and membrane phase components avoided the coalescence of internal phase droplets and enhanced the emulsion stability. The results obtained in this work support the use of the IL [OMIM][PF6] as both a stabilizer and carrier for the overall improvement of the ELM process.

}, issn = {2046-2069}, doi = {10.1039/c4ra06485b}, author = {Lende, Avinash B. and Dinker, Manish K. and Bhosale, Vikas K. and Kamble, Sanjay P. and Meshram, Pawan D. and Kulkarni, Prashant S.} } @article { ISI:000343018200079, title = {Enhancing cubosome functionality by coating with a single layer of poly-epsilon-lysine}, journal = {ACS Applied Materials \& Interfaces}, volume = {6}, number = {19}, year = {2014}, month = {OCT}, pages = {17126-17133}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

We report the preparation and characterization of monoolein cubosomes that can be easily surface modified through adsorption of a single layer of cationic poly-epsilon-lysine. Poly-epsilon-lysine coated cubosomes show remarkable stability in serum solution, are nontoxic and, are readily internalized by HeLa cells. The poly-epsilon-lysine coating provides chemical handles for further bioconjugation of the cubosome surface. We also demonstrate that the initial release rate of a hydrophilic drug, Naproxen sodium, from the cubosomes is retarded with just a single layer of polymer. Interestingly, cubosomes loaded with Naproxen sodium, recently shown to have anticancer properties, cause more apoptosis in HeLa cells when compared to free unencapsulated drug.

}, keywords = {bioconjugation, cubosomes, drug delivery vehicle, dual loading, theranostics}, issn = {1944-8244}, doi = {10.1021/am5047872}, author = {Deshpande, Sonal and Venugopal, Edakkal and Ramagiri, Shobha and Bellare, Jayesh R. and Kumaraswamy, Guruswamy and Singh, Neetu} } @article { ISI:000341764500007, title = {Esterification of renewable levulinic acid to ethyl levulinate biodiesel catalyzed by highly active and reusable desilicated H-ZSM-5}, journal = {Journal of Chemical Technology and Biotechnology}, volume = {89}, number = {10}, year = {2014}, month = {OCT}, pages = {1507-1515}, publisher = {WILEY-BLACKWELL}, type = {Article}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

BACKGROUNDIn the near future, fossil fuel will have limitations in terms of availability and also great concerns over its environmental impact. New routes and related technologies based on renewable feedstocks can overcome most of these problems associated with fossil fuel. Among current biodiesel sources, ethyl levulinate (EL) biodiesel obtained from catalytic esterification of renewable levulinic acid (LA) with ethanol has received a great deal of attention. The use of desilicated H-ZSM-5 (DH-ZSM-5) as heterogeneous acid catalyst for EL biodiesel production in a closed system (under autogeneous pressure) was studied. RESULTSThe effect of reaction parameters such as ethanol to LA molar ratio (4:1 to 10:1), catalyst to LA ratio (0.10-0.25), speed of agitation (100-400rpm), particle size (53-355 mu m), reaction temperature (363-403K) and reaction time (7h) was investigated to maximize LA conversion. CONCLUSIONLevulinic acid conversion reached 95\% over DH-ZSM-5 and the catalyst was reusable for up to six cycles. This LA conversion and the catalyst reusability values are higher than others reported in the literature. A pseudo-homogeneous (P-H) kinetic model indicated that reaction rate constants increased with increasing molar ratio, catalyst to LA ratio and reaction temperature. The activation energy decreased from 73.14 to 21.08 kJ mol(-1) when increasing the catalyst to LA ratio from 0.10 to 0.25, which implies a kinetically controlled reaction. (c) 2013 Society of Chemical Industry

}, keywords = {desilicated H-ZSM-5, Esterification, ethyl levulinate, levulinic acid}, issn = {0268-2575}, doi = {10.1002/jctb.4228}, author = {Nandiwale, Kakasaheb Y. and Niphadkar, Prashant S. and Deshpande, Shilpa S. and Bokade, Vijay V.} } @article { ISI:000346371700012, title = {Evaluation of genetic variability in Symplocos laurina Wall. from two biodiversity hotspots of India}, journal = {Plant Systematics and Evolution}, volume = {300}, number = {10}, year = {2014}, month = {DEC}, pages = {2239-2247}, publisher = {SPRINGER WIEN}, address = {SACHSENPLATZ 4-6, PO BOX 89, A-1201 WIEN, AUSTRIA}, abstract = {

Symplocos laurina Wall., an important medicinal tree species, is one of the pioneering plants for establishment of shola forest ecosystem. We analyzed 208 accessions of S. laurina from 13 populations belonging to three ecoregions in India namely, Western Ghats, Eastern Ghats and Northeast India, to comment on the genetic diversity and population structure of the species. Of the 100 inter simple sequence repeat primers screened, eight were selected based on their clear and reproducible polymorphic patterns. These eight ISSR primers produced on an average 1,014 bands from 208 accessions, of which 6.58 \% were rare bands, 55.96 \% were shared bands and 37.46 \% were similar bands. The primers, UBC835 and UBC880, amplified the highest number of polymorphic loci (16), while the primer UBC852 amplified the least number of amplicons (9). The values for total genetic diversity (H-T) and the average heterozygosity (H-S) were 0.3407 and 0.2263, respectively; while the coefficient of genetic differentiation (G(ST)) was 0.3358. Within-population variance was higher (68 \%) than among-population variance (17 \%), indicating high intra-population genetic diversity. These populations were grouped according to their geographical location in cluster analysis. Mantel test also showed significant positive correlation between genetic and geographical distances. The present study revealed the importance of the Palghat gap in South India in shaping the distribution of genetic diversity in S. laurina.

}, keywords = {Biodiversity hotspots, Genetic diversity, ISSR, Palghat gap, Symplocos laurina}, issn = {0378-2697}, doi = {10.1007/s00606-014-1046-4}, author = {Bhagwat, Rasika M. and Banu, Sofia and Dholakia, Bhushan B. and Kadoo, Narendra Y. and Lagu, Meena D. and Gupta, Vidya S.} } @article { ISI:000337539000009, title = {Evaluation of multipoint dosing strategy in a miniaturized tubular reactor: nitration of salicylic acid}, journal = {Chemical Engineering \& Technology}, volume = {37}, number = {6}, year = {2014}, month = {JUN}, pages = {927-937}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

A 2D non-isothermal reaction engineering model for a tubular reactor was developed for a complex reaction network of salicylic acid nitration. The influence of different operating and design parameters was studied to minimize the amount of secondary nitration products and limit the maximum temperature inside the reactor. Critical temperature effects were observed for larger reaction tubes, whereas close to isothermal conditions were perceived in smaller tubes. With single-point dosing of both reactants, complete conversion can be achieved but formation of secondary nitration products cannot be avoided. For a given number of dosing points, a suitable combination of the operating parameters allowed to achieve complete conversion and better yield of the desired product.

}, keywords = {Multipoint injection, nitration, Plug-flow reactor, Salicylic acid, Tubular reactor}, issn = {0930-7516}, doi = {10.1002/ceat.201300427}, author = {Debnath, Soujoy and Kienle, Achim and Kulkarni, Amol A.} } @article { ISI:000338434800028, title = {Exceptionally high yields of furfural from assorted raw biomass over solid acids}, journal = {RSC Advances}, volume = {4}, number = {50}, year = {2014}, month = {MAY}, pages = {26215-26221}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Development of stable and recyclable solid acid catalysts in the efficient valorisation of hemicellulose to yield C-5 sugars and furfural is vital to boost the prospects of using lignocelluloses for chemicals synthesis. Using an silicoaluminophosphate, namely SAPO-44, as a catalyst, an environmentally benign process of furfural synthesis from diversified real substrates (without any treatment or the need for separation of its components) is shown. In an efficient one-pot methodology, at 443 K and in the presence of a biphasic solvent system, selective conversions of hemicelluloses from raw biomass (bagasse, rice husk and wheat straw) to extraordinarily high yields of furfural of about 93\% were attainable. Under similar reaction conditions, an 82\% yield of furfural is also achievable directly from isolated hemicellulose within 10 h. Hydrophilic SAPO-44, having higher hydrothermal stability, showed similar activity for all the substrates for a minimum of up to 8 times in recycling runs. Various physicochemical characterizations (X-ray diffraction, thermogravimetric analysis-derivative thermogravimetry, temperature programmed desorption-NH3, N-2 sorption, solid-state nuclear magnetic resonance spectroscopy) of fresh and spent catalysts were used to improve SAPO-44 stability.

}, issn = {2046-2069}, doi = {10.1039/c4ra04119d}, author = {Bhaumik, Prasenjit and Dhepe, Paresh Laxmikant} } @article { ISI:000345272700002, title = {Excited state geometry optimisation using fock-space multi-reference coupled cluster method}, journal = {Molecular Physics}, volume = {112}, number = {22}, year = {2014}, month = {NOV}, pages = {2884-2891}, publisher = {TAYLOR \& FRANCIS LTD}, type = {Article}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {

The Fock-space multi-reference coupled cluster method is used for the geometry optimisation of the low-lying excited states of the molecules. Molecular geometries of the carbon monohydride cation (CH)(+), water (H2O), ozone (O-3) and formaldehyde (HCHO) in their low-lying excited states are optimised. Excited state gradients are calculated using finite field multi-reference coupled cluster method. We compare our results with other theoretical and/or experimental results, wherever available.

}, keywords = {adiabatic excitation energy, excited state, Fock-space multi-reference coupled cluster, geometry optimisation, numerical derivative}, issn = {0026-8976}, doi = {10.1080/00268976.2014.915997}, author = {Dutta, Achintya Kumar and Bhattacharya, Sumantra} } @article { ISI:000343630500001, title = {Expedient preparative isolation and tandem mass spectrometric characterization of C-seco triterpenoids from neem oil}, journal = {Journal of Chromatography A}, volume = {1366}, year = {2014}, month = {OCT}, pages = {1-14}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {ESI(+)-quadrupole/orbitrap-MS/MS, MPLC, Neem oil, Preparative isolation, Salannin, Triterpenoids}, issn = {0021-9673}, doi = {10.1016/j.chroma.2014.09.006}, author = {Haldar, Saikat and Mulani, Fayaj A. and Aarthy, Thiagarayaselvam and Dandekar, Devdutta S. and Thulasiram, Hirekodathakallu V.} } @article {45972, title = {Facile gamma radiolytic synthesis of synergistic Co3O4-rGO nanocomposite: direct use in photocatalytic water splitting}, journal = { Materials Research Express}, volume = {1}, year = {2014}, month = {DEC}, pages = {045507}, type = {Artical}, abstract = {

Nanostructured Co3O4 was synthesized through a gamma (gamma)-radiolysis technique using alcoholic (iso-propanol) salt solutions of cobalt ions with and without suspended graphene oxide (GO) nanoparticles, respectively. Formation of Co3O4 accompanied with GO reduction takes place simultaneously (in situ) upon.-ray exposure carried out at a rate of 5.1 KGy h(-1). Reduction of GO and formation of Co3O4 were confirmed by XRD, Raman and UV-vis spectroscopy. XRD and HRTEM results supports the embedding of nano-crystalline Co3O4 in an amorphous matrix. Relatively larger crystallites of cobalt oxide obtained in the presence of rGO proved to be a decisive supporting material for the directional growth of Co3O4. Electrochemical characterization established the fact that rGO is indeed considered as a proficient medium for electrochemical electron transfer process. Photo-assisted H-2 generation studies using Co3O4 and Co3O4-rGO nano-composite yielded 3 and 30 mu mol h(-1) g(-1) of hydrogen (H-2) generation, respectively, supports the action of rGO as an electron trap.

}, keywords = {nano cobalt oxide, photocatalytic hydrogen production, Reduced graphene oxide}, issn = {2053-1591}, doi = {10.1088/2053-1591/1/4/045507}, author = {Gupta, Bhavana and Melvin, Ambrose A. and Matthews, Tom and Dash, S. and Tyagi, A. K.} } @article { ISI:000341122000068, title = {Fe-TAML encapsulated inside mesoporous silica nanoparticles as peroxidase mimic: femtomolar protein detection}, journal = {ACS Applied Materials \& Interfaces}, volume = {6}, number = {16}, year = {2014}, month = {AUG}, pages = {13866-13873}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Peroxidase, such as horseradish peroxidase (HRP), conjugated to antibodies are routinely used for the detection of proteins via an ELISA type assay in which a critical step is the catalytic signal amplification by the enzyme to generate a detectable signal. Synthesis of functional mimics of peroxidase enzyme that display catalytic activity which far exceeds the native enzyme is extremely important for the precise and accurate determination of very low quantities of proteins (fM and lower) that is necessary for early clinical diagnosis. Despite great advancements, analyzing proteins of very low abundance colorimetrically, a method that is most sought after since it requires no equipment for the analysis, still faces great challenges. Most reported HRP mimics that show catalytic activity greater than native enzyme (similar to 40-fold) are based on metal/metal-oxide nanoparticles such as Fe3O4. In this paper, we describe a second generation hybrid material developed by us in which approximately 25 000 alkyne tagged biuret modified Fetetraamido macrocyclic ligand (Fe-TAML), a very powerful small molecule synthetic HRP mimic, was covalently attached inside a 40 nm mesoporous silica nanopartide (MSN). Biuret-modified Fe-TAMLs represent one of the best small molecule functional mimics of the enzyme HRP with reaction rates in water close to the native enzyme and operational stability (pH, ionic strength) far exceeding the natural enzyme. The catalytic activity of this hybrid material is around 1000-fold higher than that of natural HRP and 100-fold higher than that of most metal/metal oxide nanoparticle based HRP mimics reported to date. We also show that using antibody conjugates of this hybrid material it is possible to detect and, most importantly, quantify femtomolar quantities of proteins colorimetrically in an ELISA type assay. This represents at least 10-fold higher sensitivity than other colorimetric protein assays that have been reported using metal/metal oxide nanoparticles as HRP mimic. Using a human IgG expressing cell line, we were able to demonstrate that the protein of interest human IgG could be detected from a mixture of interfering proteins in our assay.

}, keywords = {colorimetrically, immuno assay, MSN, peroxidase mimic, signal amplification}, issn = {1944-8244}, doi = {10.1021/am503275g}, author = {Kumari, Sushma and Dhar, Basab B. and Panda, Chakadola and Meena, Abhishek and Sen Gupta, Sayam} } @article { ISI:000330953700003, title = {Fictibacillus enclensis sp nov., isolated from marine sediment}, journal = {Antonie Van Leeuwenhoek International Journal of General and Molecular Microbiology}, volume = {105}, number = {3}, year = {2014}, month = {MAR}, pages = {461-469}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

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

}, keywords = {Chorao Island, Fictibacillus sp., Polyphasic taxonomy}, issn = {0003-6072}, doi = {10.1007/s10482-013-0097-9}, author = {Dastager, Syed Gulam and Mawlankar, Rahul R. and Srinivasan, Krishnamurthi and Tang, Shan-Kun and Lee, Jae-Chan and Ramana, V. Venkata and Shouche, Yogesh S.} } @article { ISI:000332208200024, title = {Flexible dicarboxylate based pillar-layer metal organic frameworks: differences in structure and porosity by tuning the pyridyl based N, N {\textquoteleft} linkers}, journal = {CrystEngComm}, volume = {16}, number = {11}, year = {2014}, month = {DEC}, pages = {2305-2316}, abstract = {

{Dicarboxylate supported metal organic hybrids of Co(II), Zn(II) and Cd(II) have been synthesized using two different pyridyl based N, N{\textquoteright} linkers having Schiff base functionalized site. The use of flexible dicarboxylate glutarate in designing such frameworks has created a marked diversity in topology. The different N, N{\textquoteright} donor linkers also played an active part in the channel modification in the synthesized MOFs. The structural and topological diversity has been analyzed from the single crystal X-ray structure. Five compounds, {[Co(azpy)(glut)]center dot(CH3OH)}(n) (1), {[Co(meazpy)(glut)(H2O)(2)]center dot (H2O)(3)

}, author = {Dey, Rajdip and Bhattacharya, Biswajit and Pachfule, Pradip and Banerjee, Rahul and Ghoshal, Debajyoti} } @article { ISI:000346833500005, title = {Flow of granular matter in a silo with multiple exit orifices: jamming to mixing}, journal = {Physical Review E}, volume = {90}, number = {6}, year = {2014}, month = {DEC}, pages = {062206}, publisher = {AMER PHYSICAL SOC}, address = {ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA}, abstract = {

We investigate the mixing characteristics of dry granular material while draining down a silo with multiple exit orifices. The mixing in the silo, which otherwise consists of noninteracting stagnant and flowing regions, is observed to improve significantly when the flow through specific orifices is stopped intermittently. This momentary stoppage of flow through the orifice is either controlled manually or is chosen by the system itself when the orifice width is small enough to cause spontaneous jamming and unjamming. We observe that the overall mixing behavior shows a systematic dependence on the frequency of closing and opening of specific orifices. In particular, the silo configuration employing random jamming and unjamming of any of the orifices shows early evidence of chaotic mixing. When operated in a multipass mode, the system exhibits a practical and efficient way of mixing particles.

}, issn = {1539-3755}, doi = {10.1103/PhysRevE.90.062206}, author = {Kamath, Sandesh and Kunte, Amit and Doshi, Pankaj and Orpe, Ashish V.} } @article { ISI:000330083100010, title = {Formation of a pseudo-beta-hairpin motif utilizing the Ant-Pro reverse turn: consequences of stereochemical reordering}, journal = {Organic \& Biomolecular Chemistry}, volume = {12}, number = {5}, year = {2014}, month = {FEB}, pages = {774-782}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Herein, we report a special case of pseudo-beta-hairpin formation by tetrapetide sequences featuring a two-membered Ant Pro dipeptide motif (Ant = anthranilic acid and Pro = proline) at the loop region. These folded structures uniquely feature the presence of C9- and C17-H-bonding patterns at reverse turn and interstrand regions, respectively. Their hairpin nucleation and folding propensities have been expounded using solution and solid state studies of distinct stereochemically altered sequences.

}, issn = {1477-0520}, doi = {10.1039/c3ob42016g}, author = {Nair, Roshna V. and Kotmale, Amol S. and Dhokale, Snehal A. and Gawade, Rupesh L. and Puranik, Vedavati G. and Rajamohanan, Pattuparambil R. and Sanjayan, Gangadhar J.} } @article { ISI:000338980500002, title = {Formation of a room temperature stable Fe-V(O) complex: reactivity toward unactivated C-H bonds}, journal = {Journal of American Chemical Society}, volume = {136}, number = {27}, year = {2014}, month = {JUL}, pages = {9524-9527}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

An Fe-V(O) complex has been synthesized from equimolar solutions of (Et4N)(2)[Fe-III(Cl)(biuretamide)] and mCPBA in CH3CN at room temperature. The Fe-V(O) complex has been characterized by UV-vis, EPR, Mossbauer, and HRMS and shown to be capable of oxidizing a series of alkanes having C-H bond dissociation energies ranging from 99.3 kcal mol(-1) (cyclohexane) to 84.5 kcal mori (cumene). Linearity in the Bell-Evans-Polayni graph and the finding of a large kinetic isotope effect suggest that hydrogen abstraction is engaged the rate-determining step.

}, issn = {0002-7863}, doi = {10.1021/ja412537m}, author = {Ghosh, Munmun and Singh, Kundan K. and Panda, Chakadola and Weitz, Andrew and Hendrich, Michael P. and Collins, Terrence J. and Dhar, Basab B. and Sen Gupta, Sayam} } @article {43368, title = {Function of metals and supports on the hydrodeoxygenation of phenolic compounds}, journal = {ChemPlusChem}, volume = {79}, year = {2014}, month = {NOV}, pages = {1573-1583}, abstract = {

Hydrodeoxygenation (HDO) is an important process for removing oxygen from lignin-derived phenolic monomers to obtain chemicals that can be used as fuel or fuel additives. A systematic study is performed to check the effects of supports (acidic, neutral, basic) and noble metals (Pd, Pt, Ru) on the HDO of phenol, guaiacol, and eugenol. Evaluation of the combinations of metals and supports under the similar reaction conditions shows that the metals supported on a highly acidic support (SiO2-Al2O3) yield complete hydrogenation products with the possibility of C[BOND]O bond cleavage to achieve a real HDO activity, whereas on a mildly acidic support (gamma-Al2O3), a complicated product distribution is achieved, and neutral (C) and basic (HT) supports give restricted hydrogenation activity but yield the products with very high selectivity. On the basis of the results, reaction pathways are suggested and deliberated. The catalysts show reproducible activity in recycle runs. The catalysts are characterized by various techniques (XRD, TEM, TPD, ICP-OES) to establish the catalyst activityproperty relationship.

}, doi = {10.1002/cplu.201402145}, author = {Deepa, Ayillath K. and Dhepe, Paresh L.} } @article { ISI:000334440200001, title = {Functional silicon nanostructures derived from drying-mediated self-assembly of gold nanoparticles}, journal = {Journal of Nanoparticle Research}, volume = {16}, number = {5}, year = {2014}, month = {APR}, pages = {2372}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

Self-assembly of nanoparticles is an efficient technique where nanobuilding blocks spontaneously organize into ordered structures by thermodynamic and other constraints. We demonstrate that multifunctional Silicon (Si) nanostructures with unique morphologies like sheets, plates and flakes can be etched chemically by taking an advantage of natural self-assembly of gold nanoparticles (AuNPs) characterized with drying kinetics under external stimuli. We further demonstrated antireflection properties of the as-synthesized Si nanostructures.

}, keywords = {Antireflective material, gold nanoparticles, Metal-assisted chemical etching, Self-assembly, Si Nanostructures}, issn = {1388-0764}, doi = {10.1007/s11051-014-2372-8}, author = {Deshmukh, Ashvini B. and Devarapalli, Rami Reddy and Shelke, Manjusha V.} } @article { ISI:000345192300003, title = {Genesis of enhanced photoactivity of CdS/Ni-x nanocomposites for visible-light-driven splitting of water}, journal = {International Journal of Hydrogen Energy}, volume = {39}, number = {34}, year = {2014}, month = {NOV}, pages = {19424-19433}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A series of CdS/Ni-x nanocomposite photocatalysts, containing ca. 0.6-15 wt\% Ni, were synthesized using a one-step hydrothermal method and characterized for their crystallographic, morphological, interfacial, and optical properties. Rietveld refinement of powder XRD data revealed the coexistence of wurtzite (hexagonal) and zinc blende (cubic) phases of CdS in ratios dependent on Ni content. Only a fraction of Ni existed as a secondary phase of NiS while the majority occupied the lattice positions of hexagonal CdS. Whereas up to 10-fold enhancement in H-2 evolution compared with pure CdS was observed for samples containing similar to 1.5-4.5 wt\% Ni, samples with smaller or larger Ni content displayed poor activity for visible-light-induced splitting of water in presence of sulfide-sulphite ions as sacrificial electron donors. In contrary to recent findings, our study reveals that the enhanced CdS photoactivity is not a result of charge transfer between p-type NiS and n-type CdS, Ni-induced visible-region absorbance, or the coating of CdS particles by non-photoactive NiS. Instead, the preparation-dependent hexagonal/cubic CdS phase boundaries and particle morphology may play a crucial role. Additionally, certain Ni-doping-induced sub-bandgap shallow energy levels contribute to charge carrier separation. Copyright (C) 2014, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved.

}, keywords = {CdS/Ni-x nanocomposites, Dominant hexagonal facets, Enhanced photoactivity, Hydrogen evolution, Phase boundary effects, water splitting}, issn = {0360-3199}, doi = {10.1016/j.ijhydene.2014.09.087}, author = {Devi, Suman and Korake, Prakash V. and Achary, Srungarpu N. and Gupta, Narencira M.} } @article { ISI:000342896700002, title = {Genome sequencing analysis reveals virulence-related gene content of Ochrobactrum intermedium strain 229E, a urease-positive strain isolated from the human gastric niche}, journal = {Fems Microbiology Letters}, volume = {359}, number = {1}, year = {2014}, month = {OCT}, pages = {12-15}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

We report draft genome sequence of Ochrobactrum intermedium strain 229E concurrent with Helicobacter pylori in urease positive gastric biopsy of non-ulcer dyspeptic individual from Southern part of India. Since the role of Ochrobactrum in human gastric environment is poorly understood, comprehensive pathological, microbiological, and genome level understanding are necessary to evaluate its association with H. pylori in the gastric niche. Comparative analysis of O. intermedium 299E strain revealed functional similarities with virulence related gene clusters present in H. pylori genomes, which probably might aid in its ability to persist in the human gastric mucosa. However, H. pylori specific vacuolating cytotoxin (vacA) involved in vacuolization, cytotoxicity, and T-cell inhibition was absent in the O. intermedium 229E genome. Taken together, O. intermedium 229E shared numerous features like secretion system, urease, and flagella with H. pylori genome sequence that might aid concurrence in the gastric niche.

}, keywords = {Helicobacter pylori, Ochrobactrum intermedium strain 229E, virulence related gene clusters}, issn = {0378-1097}, doi = {10.1111/1574-6968.12549}, author = {Kulkarni, Girish J. and Shetty, Sudarshan and Dharne, Mahesh S. and Shouche, Yogesh S.} } @article { ISI:000345701500065, title = {Green chemical incorporation of silicon into polyoxoanions of molybdenum: characterization, thermal kinetics study and their photocatalytic water splitting activity}, journal = {RSC Advances}, volume = {4}, number = {108}, year = {2014}, month = {NOV}, pages = {63328-63337}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Cetylpyridinium silicomolybdate (CSM) nanorods were successfully synthesized by applying green chemistry principles using sodium molybdate and a structure directing cationic surfactant, cetyl pyridinium chloride (CPC) at room temperature. The composition and morphology of the nanorods were established by Fourier transform infrared spectroscopy (FT-IR), scanning electron microscopy (SEM), transmission electron microscopy (TEM), thermogravimetric analysis (TG) and inductively coupled plasma atomic emission spectroscopic (ICP-AES) techniques. The thermal decomposition kinetics of CSM nanorods were investigated by a non-isothermal thermogravimetric analyzer at various heating rates. The thermal decomposition of CSM occurred in two stages. The activation energies of the first and second stages of thermal decomposition for all heating rates have been estimated using the iso-conventional methods of Flynn-Wall-Ozawa (FWO) and Kissinger-Akahira-Sunose (KAS) and the results are found to be in good agreement with each other. The invariant kinetic parameter (IKP) method and master plot method were also used to evaluate the kinetic parameters and mechanism for the thermal decomposition of CSM. The photocatalytic water oxidation mechanism using the CSM catalyst in the presence of platinum (Pt) co-catalyst enhances the H-2 evolution and was found to be 1.946 mmol g(-1) h(-1).

}, issn = {2046-2069}, doi = {10.1039/c4ra12331j}, author = {D{\textquoteright}Cruz, Bessy and Samuel, Jadu and George, Leena} } @article { ISI:000342761600087, title = {Green synthesis of noble metal nanoparticles using cysteine-modified silk fibroin: catalysis and antibacterial activity}, journal = {RSC Advances}, volume = {4}, number = {86}, year = {2014}, month = {SEP}, pages = {46285-46292}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Noble metal nanoparticles (NPs) have shown remarkable potential for numerous applications. In this work, a simple, one-pot, green method for the synthesis of gold, silver, palladium, and platinum NPs by using thiol-modified silk fibroin (SF-SH) has been described. The incorporation of thiol groups into silk fibroin (SF) yields small, mono-dispersed metal nanoparticles with good colloidal stability. UV-Vis, transmission electron microscopy (TEM), and X-ray powder diffraction (XRD) analyses show the formation of NPs, and thermo-gravimetric analysis (TGA) data reveal interaction of the NPs with thiol-modified SF. We also show that all the NP-SF conjugates catalyse the reduction of p-nitrophenol to p-aminophenol in the presence of NaBH4 at room temperature. The NP-SF conjugate materials were processed into different material formats like porous scaffolds and films without compromising their individual properties. The Au-SF-SH composite scaffold was used successfully in the heterogeneous catalysis of p-nitrophenol reduction using NaBH4 while the Ag-SF-SH conjugated film showed good antibacterial activity.

}, issn = {2046-2069}, doi = {10.1039/c4ra06179a}, author = {Das, Soumen and Dhar, Basab Bijayi} } @article { ISI:000343922800043, title = {Green synthesis of novel polyoxoanions of tungsten containing phosphorus as a heteroatom: characterization, non-isothermal decomposition kinetics and photocatalytic activity}, journal = {New Journal of Chemistry}, volume = {38}, number = {11}, year = {2014}, month = {SEP}, pages = {5436-5444}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Synthesis of cetylpyridinium phosphotungstate (CPW) nanospheres was carried out by using sodium tungstate and a structure directing cationic surfactant, cetyl pyridinium chloride (CPC), at room temperature by applying green chemistry principles. The composition and morphology of the nanospheres were established by Fourier transform infrared spectroscopy (FT-IR), scanning electron microscopy (SEM), transmission electron microscopy (TEM), atomic force microscopy (AFM), thermogravimetric analysis (TGA) and inductively coupled plasma atomic emission spectroscopic (ICP-AES) techniques. Thermal properties of the nanoparticles were investigated by nonisothermal analysis under a nitrogen atmosphere at four different heating rates 10, 15, 20 and 25 degrees C min(-1). The thermal decomposition of CPW occurred in two stages. The activation energy values at each stage of thermal decomposition for all heating rates were calculated by Flynn-Wall-Ozawa (FWO) and Kissinger-Akahira-Sunnose (KAS) methods. The invariant kinetic parameter (IKP) method and the master plot method were also used to evaluate the kinetic parameters and mechanism for the thermal decomposition of CPW. The photocatalytic water oxidation mechanism using a CPW catalyst in the presence of a platinum (Pt) co-catalyst enhances the H-2 evolution, which was found to be 2.0 mmol g(-1) h(-1).

}, issn = {1144-0546}, doi = {10.1039/c4nj01098a}, author = {D{\textquoteright}Cruz, Bessy and Samuel, Jadu and Sreedhar, Mulloor Kesavapillai and George, Leena} } @article { ISI:000334168400024, title = {Ground state of naphthyl cation: singlet or triplet?}, journal = {Journal of Chemical Physics}, volume = {140}, number = {11}, year = {2014}, month = {MAR}, pages = {114312}, publisher = {AMER INST PHYSICS}, address = {1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA}, abstract = {

We present a benchmark theoretical investigation on the electronic structure and singlet- triplet(ST) gap of 1- and 2-naphthyl cations using the CCSD(T) method. Our calculations reveal that the ground states of both the naphthyl cations are singlet, contrary to the results obtained by DFT/B3LYP calculations reported in previous theoretical studies. However, the triplet states obtained in the two structural isomers of naphthyl cation are completely different. The triplet state in 1-naphthyl cation is (pi,sigma) type, whereas in 2-naphthyl cation it is (pi,sigma) type, The S-T gaps in naphthyl cations and the relative stability ordering of the singlet and the triplet states are highly sensitive to the basis set quality as well as level of correlation, and demand for inclusion of perturbative triples in the coupled-cluster ansatz. (c) 2014 AIP Publishing LLC.

}, issn = {0021-9606}, doi = {10.1063/1.4868485}, author = {Dutta, Achintya Kumar and Manohar, Prashant Uday and Vaval, Nayana and Pal, Sourav} } @article { ISI:000342766500050, title = {High performance all-organic flexural piezo-FET and nanogenerator via nanoscale soft-interface strain modulation}, journal = {Physical Chemistry Chemical Physics}, volume = {16}, number = {41}, year = {2014}, month = {SEP}, pages = {22874-22881}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Flexural strain fields are encountered in a wide variety of situations and invite novel device designs for their effective use in sensing, actuating, as well as energy harvesting (nanogenerator) applications. In this work we demonstrate an interesting all-organic device design comprising an electrospun P(VDF-TrFE) fiber-mat built directly on a conducting PANI film, which is also grown on a flexible PET substrate, for flexural piezo-FET and nanogenerator applications. Orders of magnitude stronger modulation of electrical transport in PANI film is realized in this device as compared to the case of a similar device but with a uniform spin-coated P(VDF-TrFE) film. We find that in the flexural mode of operation, the interaction between the laterally modulated nanoscale strain field distributions created by the fibers and the applied coherent strain field strongly influences the carrier transport in PANI. The transport modulation is suggested to occur due to strain-induced conformational changes in P(VDF-TrFE) leading to changes in carrier localization-delocalization. We further show that the fiber-mat based device system also works as an efficient nanogenerator capable of delivering power for low power applications.

}, issn = {1463-9076}, doi = {10.1039/c4cp02155j}, author = {Dhakras, Dipti and Gawli, Yogesh and Chhatre, Shraddha and Wadgaonkar, Prakash and Ogale, Satishchandra} } @article {PACHFULE, title = {Highly stable covalent organic framework-Au nanoparticles hybrids for enhanced activity for nitrophenol reduction}, journal = {Chemical Communications}, volume = {50}, number = {24}, year = {2014}, month = {JAN}, pages = {3169-3172}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

{Gold [

}, issn = {1359-7345}, doi = {10.1039/c3cc49176e}, author = {Pachfule, Pradip and Kandambeth, Sharath and Diaz, David Diaz and Banerjee, Rahul} } @article { ISI:000341226000019, title = {Homogeneous photochemical water oxidation by biuret-modified Fe-TAML: evidence of Fe-V(O) intermediate}, journal = {Journal of the American Chemical Society}, volume = {136}, number = {35}, year = {2014}, month = {SEP}, pages = {12273-12282}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

{Water splitting, leading to hydrogen and oxygen in a process that mimics natural photosynthesis, is extremely important for devising a sustainable solar energy conversion system. Development of earth-abundant, transition metal-based catalysts that mimic the oxygen-evolving complex of photosystem II, which is involved in oxidation of water to O-2 during natural photosynthesis, represents a major challenge. Further, understanding the exact mechanism, including elucidation of the role of active metal-oxo intermediates during water oxidation (WO), is critical to the development of more efficient catalysts. Herein, we report Fe-III complexes of biuret-modified tetra-amidomacrocyclic ligands (Fe-TAML; 1a and 1b) that catalyze fast, homogeneous, photochemical WO to give OD with moderate efficiency (maximum TON = 220

}, issn = {0002-7863}, doi = {10.1021/ja503753k}, author = {Panda, Chakadola and Debgupta, Joyashish and Diaz, David Diaz and Singh, Kundan K. and Gupta, Sayam Sen and Dhar, Basab B.} } @article { ISI:000332835300494, title = {Homogeneous water oxidation using peroxidase mimic [Fe-III(biuret-amide)] and analyte detection via signal amplification}, journal = {Journal of Biological Inorganic Chemistry}, volume = {19}, number = {1}, year = {2014}, note = {16th International Conference on Biological Inorganic Chemistry (ICBIC), Grenoble, FRANCE, JUL 22-26, 2013}, month = {MAR}, pages = {S557}, publisher = {Int Organizing Comm; Natl Organizing Comm; SBIC; Veolia Environm; Arcane; Grenoble Innovat Adv New Technologies; LOREAL; Soc Chimique France; CEA, Life Sci Div; SHIMADZU; High Tech Mat; CEA, Div Matter Sci; IFP Energies Nouvelles; Univ Joseph Fourier; Spr}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, issn = {0949-8257}, author = {Panda, C. and Dhar, B. B. and Ghosh, Munmun and Malvi, Bharmana and Bhattacharjee, Yudhajit and Sengupta, S.} } @article {42484, title = {Hydrogen bonding interaction between active methylene hydrogen atoms and an anion as a binding motif for anion recognition: experimental studies and theoretical rationalization}, journal = {Journal of Physical Chemistry A}, volume = {118}, year = {2014}, month = {MAR}, pages = {2656{\textendash}2666}, abstract = {

Two new reagents, having similar spatial arrangements for hydrogen atoms of the active methylene functionalities, were synthesized and interactions of such reagents with different anionic analytes were studied using electronic spectroscopy as well as by using 1H and 31P NMR spectroscopic methods. Experimental studies revealed that these two reagents showed preference for binding to F{\textendash} and OAc{\textendash}. Detailed theoretical studies along with the above-mentioned spectroscopic studies were carried out to understand the contribution of the positively charged phosphonium ion, along with methylene functionality, in achieving the observed preference of these two receptors for binding to F{\textendash} and OAc{\textendash}. Observed differences in the binding affinities of these two reagents toward fluoride and acetate ions also reflected the role of acidity of such methylene hydrogen atoms in controlling the efficiencies of the hydrogen bonding in anion{\textendash}Hmethylene interactions. Hydrogen bonding interactions at lower concentrations of these two anionic analytes and deprotonation equilibrium at higher concentration were observed with associated electronic spectral changes as well as visually detectable change in solution color, an observation that is generally common for other strong hydrogen bond donor functionalities like urea and thiourea. DFT calculations performed with the M06/6-31+G**//M05-2X/6-31G* level of theory showed that F{\textendash} binds more strongly than OAc{\textendash} with the reagent molecules. The deprotonation of methylene hydrogen atom of receptors with F{\textendash} ion was observed computationally. The metal complex as reagent showed even stronger binding energies with these analytes, which corroborated the experimental results.

}, doi = {10.1021/jp501769y}, author = {Agarwalla, Hridesh and Jana, Kalyanashis and Maity, Arunava and Kesharwani, Manoj K. and Ganguly, Bishwajit and Das, Amitava} } @article {CSIR, title = {Hydrogenation of polar bonds catalysed by ruthenium-pincer complexes}, journal = {Ruthenium in Catalysis}, volume = {48}, number = {5}, year = {2014}, note = {3rd International Conference on Advances in Computing, Communications and Informatics (ICACCI), New Delhi, INDIA, SEP 24-27, 2014}, month = {MAR}, pages = {19-43}, publisher = {IEEE Commun Soc; IEEE Syst Man \& Cybernet Soc; Galgotias Coll Engn \& Technol; Hochschule Offenburg Univ Appl Sci; Int Neural Network Soc; India Chapter \& Res Publishing Serv; Madhyam; WizIQ; ICACCI; IEEE}, address = {HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY}, abstract = {

Catalytic hydrogenation of polar bonds using molecular hydrogen is an important, atom-economical synthetic reaction. Classical reduction methods of polar bond often require reactive metal-hydride reagents in stoichiometric amount and produce copious waste. Hydrogenation of carbonyl compounds in particular provides {\textquoteleft}green{\textquoteright} approaches to synthetically important building blocks, such as alcohols and amines. We have designed and synthesized several ruthenium-based pincer catalysts for unprecedented hydrogenation reactions including: (1) amides to alcohols and amines, (2) biomass-derived di-esters to 1,2-diols and (3) CO2 and CO derivatives to methanol. These atom-economical reactions operate under neutral, homogeneous conditions, at mild temperatures, mild hydrogen pressures, and can operate in absence of solvent with no generation of waste. The postulated mechanisms involve metal-ligand cooperation (MLC) by aromatization-dearomatization of the heteroaromatic pincer core.

}, keywords = {Amides, Carbon dioxide, Esters, Hydrogen, Hydrogenation, Metal-ligand cooperation, Pincer complexes, ruthenium}, isbn = {978-3-319-08482-4; 978-3-319-08481-7}, issn = {1436-6002}, doi = {10.1007/3418_2014_77}, author = {Balaraman, Ekambaram and Milstein, David}, editor = {Bruneau, C. and Dixneuf, P. H.} } @article {45978, title = {Identification of the Zn substitution sites in La-Zn substituted SrAl12O19 from Al-27 solid-state NMR studies}, journal = {Journal of the American Ceramic Society}, volume = {97}, year = {2014}, month = {SEP}, pages = {2990-2995}, type = {Article}, abstract = {

The La-Zn substituted hexagonal strontium aluminate, Sr1-xLaxAl12-xZnxO19, with the magnetoplumbite structure and having five different coordination environments for Al with different symmetries, is investigated using Al-27 solid-state NMR to get detailed information on the sites of substitution of Zn and the associated changes in the local coordination environments of Al. The objective of the study was to get information on the local structural variations in the isostructural La-Co substituted strontium ferrite, Sr1-xLaxFe12-xCoxO19, showing enhanced magnetic performance on substitution. The NMR studies on the aluminate give direct evidence for the sites of substitution and the changes in the local coordination environments. It is found that Zn is substituted at the 2a and 4f(2) AlO6 octahedral sites. However, an interesting observation from the NMR studies is the stabilization of the Al site occupancy at the penta-coordinated 2b site over the distorted tetrahedral 4eAl site, without any substitution at these sites. Large changes in the quadrupolar coupling constant of the 2a and 4e sites are observed between x=0.2 and 0.3, corresponding to the compositional region showing higher performance in the case of Sr1-xLaxFe12-xCoxO19, indicating the role of distortion of local coordination environments on suitable substitution in controlling the performance parameters.

}, issn = {0002-7820}, doi = {10.1111/jace.13029}, author = {Baby, Bindhu and Dey, Krishna K. and Ajithkumar, Thalasseril G. and Joy, Pattayil A.} } @article { ISI:000330999600057, title = {IFN-gamma signaling maintains skin pigmentation homeostasis through regulation of melanosome maturation}, journal = {Proceedings of the National Academy of Sciences of the United States of America}, volume = {111}, number = {6}, year = {2014}, month = {FEB}, pages = {2301-2306}, publisher = {NATL ACAD SCIENCES}, address = {2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA}, abstract = {

Cellular homeostasis is an outcome of complex interacting processes with nonlinear feedbacks that can span distinct spatial and temporal dimensions. Skin tanning is one such dynamic response that maintains genome integrity of epidermal cells. Although pathways underlying hyperpigmentation cascade are recognized, negative feedback regulatory loops that can dampen the activated melanogenesis process are not completely understood. In this study, we delineate a regulatory role of IFN-gamma in skin pigmentation biology. We show that IFN-gamma signaling impedes maturation of the key organelle melanosome by concerted regulation of several pigmentation genes. Withdrawal of IFN-gamma signal spontaneously restores normal cellular programming. This effect in melanocytes is mediated by IFN regulatory factor-1 and is not dependent on the central regulator microphthalmia-associated transcription factor. Chronic IFN-gamma signaling shows a clear hypopigmentation phenotype in both mouse and human skin. Interestingly, IFN-gamma KO mice display a delayed recovery response to restore basal state of epidermal pigmentation after UV-induced tanning. Together, our studies delineate a new spatiotemporal role of the IFN-gamma signaling network in skin pigmentation homeostasis, which could have implications in various cutaneous depigmentary and malignant disorders.

}, keywords = {detanning, gene regulation, interferon, melanin}, issn = {0027-8424}, doi = {10.1073/pnas.1304988111}, author = {Natarajan, Vivek T. and Ganju, Parul and Singh, Archana and Vijayan, Vinaya and Kirty, Kritika and Yadav, Shalini and Puntambekar, Shraddha and Bajaj, Sonali and Dani, Prachi P. and Kar, Hemanta K. and Gadgil, Chetan J. and Natarajan, Krishnamurthy and Rani, Rajni and Gokhale, Rajesh S.} } @article { ISI:000347579200048, title = {Impact of experimental pressure and temperature on semiclathrate hydrate formation for pre-combustion capture of CO2 using tetra-n-butyl ammonium nitrate}, journal = {Energy}, volume = {78}, number = {SI}, year = {2014}, month = {DEC}, pages = {458-464}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

TBANO(3) (tetra-n-butyl ammonium nitrate) is a promising liquid phase promoter for capturing CO2 via HBGS (hydrate based gas separation) technology. In this study, the impact of experimental pressure and temperature on formation of mixed CO2-H-2-TBANO(3) semiclathrate hydrate for the optimum 1.0 mol\% TBANO(3) reported by Babu et al. [1] was investigated. Experimental pressures of 3.0, 4.5 and 6.0 MPa and temperatures of 274.2, 276.2 and 278.2 K were employed. Irrespective of the experimental pressure, shorter induction time was observed for experiments conducted at 274.2 K when compared to the experiments at other temperatures. At a given pressure, the total gas uptake increased with increase in experimental temperature. Similarly at a given temperature, the total gas uptake increases with an increase in pressure. Higher rate of hydrate formation was observed at experimental pressure of 6.0 MPa than at 3.0 and 4.5 MPa irrespective of the experimental temperature. The CO2 composition in hydrate was between 87.5 and 93.2 mol\%. Finally, the gas consumption for 1.0 mol\% TBANO(3) as promoter was much higher than other promoters of quaternary salts like tetra-n-butyl ammonium bromide and tetra-n-butyl ammonium fluoride at comparable concentration and driving force. (C) 2014 Elsevier Ltd. All rights reserved.

}, keywords = {Carbon dioxide capture, Clathrate process, Gas hydrates, Semi-clathrates}, issn = {0360-5442}, doi = {10.1016/j.energy.2014.10.033}, author = {Babu, Ponnivalavan and Datta, Stuti and Kumar, Rajnish and Linga, Praveen} } @conference { ISI:000375936100396, title = {Impact of pressure and temperature on tetra-n-butyl ammonium bromide semi-clathrate process for carbon dioxide capture}, booktitle = {International Conference on Applied Energy, ICAE2014}, series = {Energy Procedia}, volume = {61}, year = {2014}, note = {6th International Conference on Applied Energy (ICAE), Taipei, TAIWAN, MAY 30-JUN 02, 2014}, month = {MAY}, pages = {1780-1783}, publisher = {Elsevier Science BV}, organization = {Elsevier Science BV}, address = {Sara Burgerhartstraat 25, Po Box 211, 1000 AE Amsterdam, Netherlands}, abstract = {

The pre-combustion capture of CO2 in an IGCC power plant employing the hydrate based gas separation (HBGS) process is a novel method currently receiving attention around the world. Tetra-n-butyl ammonium bromide (TBAB) is a promoter that has been shown to improve the efficiency of hydrate formation. In this study, the effect of temperature and pressure on 0.3 mol\% TBAB solution is investigated. The induction time for the experiments conducted at 6.0 MPa and 274.8 K was found to be lower, while nucleation became increasingly random as temperature is increased and pressure is reduced. Total gas uptake and normalized rate of hydrate formation (NR5) is also the highest for the experiments conducted at 6.0 MPa and 274.8 K. However, it was found that the hydrate phase CO2 composition remains relatively constant at both reduced temperatures and pressures. (C) 2014 The Authors. Published by Elsevier Ltd.

}, keywords = {Carbon dioxide capture, Clathrate process, Gas hydrates, Gas separation, Promoters, tetra-n-butyl ammonium bromide}, issn = {1876-6102}, doi = {10.1016/j.egypro.2014.12.211}, author = {Babu, Ponnivalavan and Chin, Weng Inn and Kumar, Rajnish and Linga, Praveen}, editor = {Yan, J. and Lee, D. J. and Chou, S. K. and Desideri, U. and Li, H.} } @article { ISI:000344451800020, title = {Interchain relay of antiferromagnetic ordering in 1D Co(II) coordination polymers via pi-pi interactions}, journal = {CrystEngComm}, volume = {16}, number = {36}, year = {2014}, month = {SEP}, pages = {8523-8530}, type = {Article}, doi = {10.1039/c4ce01010h}, author = {Ahmad, Musheer and Das, Raja and Mrozinski, Jerzy and Bienko, Alina and Poddar, Pankaj and Bharadwaj, Parimal K.} } @article { ISI:000341543000009, title = {Intermediate hamiltonian fock space multireference coupled cluster approach to core excitation spectra}, journal = {Journal of Chemical Theory and Computation}, volume = {10}, number = {9}, year = {2014}, month = {SEP}, pages = {3656-3668}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The Fock space multireference coupled cluster (FSMRCC) method provides an efficient approach for the direct calculation of excitation energies. In intermediate Hamiltonian (IH-FSMRCC) formulation, the method is free from intruder state problems and associated convergence difficulties, even with a large model space. In this paper, we demonstrate that the IH-FSMRCC method with suitably chosen model space can be used for the accurate description of core excitation spectra of molecules, and our results are in excellent agreement with the experimental values. We have investigated the effect of choice of model space on the computed results. Unlike the equation-of-motion (EOM)-based method, the IH-FSMRCC does not require any special technique for convergence and in singles and doubles approximation gives a performance comparable to that of the standard EOMEE-CCSD method, even better in some of the cases.

}, issn = {1549-9618}, doi = {10.1021/ct500285e}, author = {Dutta, Achintya Kumar and Gupta, Jitendra and Vaval, Nayana and Pal, Sourav} } @article { ISI:000336942100020, title = {Investigation of C-C bond formation mediated by bombyx mori silk fibroin materials}, journal = {ACS Sustainable Chemistry \& Engineering}, volume = {2}, number = {6}, year = {2014}, month = {JUN}, pages = {1510-1517}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The formation of C-C bonds is a prerequisite for all life on earth. Understanding the role of proteins in mediating the formation of these bonds is important for understanding biological mechanisms in evolution, as well as for designing {\textquoteleft}{\textquoteleft}green catalysts{\textquoteright}{\textquoteright}. In this work, the ability of silk fibroin (SF) proteins to mediate selective C-C bond formation under mild conditions was comprehensively evaluated and compared between different SF-based materials and other proteins. Aqueous SF solution (ASFS), freeze-dried SF (FDSF), mesoporous SF (MPSF), and SF hydrogel (SFHG) materials were prepared and characterized by a variety of techniques including, among others, FE-SEM, ICP-OES, FT-IR, and TGA. The nitroaldol (Henry) reaction, Knoevenagel condensation, and direct aldol reaction were used as models for this study, in which the recovery and reusability of the protein was also evaluated.

}, keywords = {Aldol-like reactions, C-C Bond formation, Knoevenagel condensation, Proteins, Silk fibroin}, issn = {2168-0485}, doi = {10.1021/sc500184r}, author = {Kuehbeck, Dennis and Ghosh, Munmun and Sen Gupta, Sayam and Diaz, David Diaz} } @article { ISI: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:000338118400007, title = {Iodine-catalyzed aromatization of tetrahydrocarbazoles and its utility in the synthesis of glycozoline and murrayafoline A: a combined experimental and computational investigation}, journal = {Organic \& Biomolecular Chemistry}, volume = {12}, number = {27}, year = {2014}, month = {JUN}, pages = {4832-4836}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A new protocol for the aromatization of tetrahydrocarbazoles has been achieved using a catalytic amount of iodine, giving high yields. The role of iodine in the aromatization has been explained by DFT, and its wide scope is extended to the total synthesis of glycozoline and murrayafoline A. This method has proven to be tolerant of a broad range of functional groups.

}, issn = {1477-0520}, doi = {10.1039/c4ob00635f}, author = {Humne, Vivek T. and Dangat, Yuvraj B. and Vanka, Kumar and Lokhande, Pradeep} } @article { ISI:000337783900075, title = {Ionic control on the morphology of ytterbium manganese oxide nanorods and nanoplates in a surfactant-free synthesis and their magnetic properties}, journal = {Journal of Physical Chemistry C}, volume = {118}, number = {24}, year = {2014}, month = {JUN}, pages = {13268-13275}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Here, we report the synthesis of multiferroic, single-crystalline ID YbMnO3 in nanoregime. By using ionic chemistry without the use of surfactant or template, we demonstrate control synthesis of one- and two-dimensional nanoparticles of YbMnO3. Magnetic properties of YbMnO3 show influence of morphology. Detailed alternating current (ac) and direct current (dc) magnetic study shows ferromagnetic interaction of Mn3+ and Yb3+ moments in nanorods of YbMnO3 below similar to 35 K.

}, issn = {1932-7447}, doi = {10.1021/jp503591f}, author = {Das, Raja and Poddar, Pankaj} } @article { ISI:000339367500022, title = {Ionization-induced tautomerization in cytosine and effect of solvation}, journal = {Journal of Physical Chemistry A}, volume = {118}, number = {28}, year = {2014}, month = {JUL}, pages = {5323-5332}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The recent observation of excitation-induced tautomerization in gas-phase cytosine motivated us to investigate the possibility of facile tautomerization in ionized cytosine and the effect of solvation on the tautomerization barriers. The tautomerization mechanisms were characterized at the density functional theory (DFT)omega B97X-D and coupled-cluster singles and doubles (CCSD) levels of theory. Vertical and adiabatic ionization energies (VIEs and AIEs, respectively) of the tautomers of cytosine and the microsolvated species were calculated with the equation-of-motion ionization-potential coupled-cluster (EOM-IP-CCSD) method. We observed that, in microsolvated cytosine, the solvatochromic shifts of the VIEs can be both blue- and red-shifted depending on the tautomers. This is explained by the analysis of the charge dipole interactions between the cytosine and water molecules. We noticed that, upon ionization, gas-phase tautomerization barriers are reduced by 0-4 kcal/mol, whereas microsolvated (with one water) tautomerization barriers are reduced by 4-5 kcal/mol. We also investigated the tautomerization process in solvation using a continuum model with one active water molecule in the quantum mechanical region. We noticed that, even though bulk solvation has a significant effect on ionization energies, its effect on the ionization-induced tautomerization barrier is minimal.

}, issn = {1089-5639}, doi = {10.1021/jp503947d}, author = {Das, Tamal and Ghosh, Debashree} } @article { ISI:000341783900004, title = {Isolation of streptococcus tigurinus - a novel member of streptococcus mitis group from a case of periodontitis}, journal = {FEMS Microbiology Letters}, volume = {357}, number = {2}, year = {2014}, month = {AUG}, pages = {131-135}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Streptococcus tigurinus is a new member of the Streptococcus viridians group and is closely related to Streptococcus mitis, Streptococcus pneumoniae, Streptococcus pseudopneumoniae, Streptococcus oralis, and Streptococcus infantis. The type strain AZ_3a(T) of S. tigurinus was originally isolated from a patient with infective endocarditis. Accurate identification of S. tigurinus is facilitated only by newer molecular methods like 16S rRNA gene analysis. During the course of study on bacteraemia and infective endocarditis with reference to periodontitis and viridians group of streptococci, a strain of S. tigurinus isolated from subgingival plaque of a patient with periodontitis identified by 16S rRNA gene analysis, which was originally identified as Streptococcus pluranimalium by Vitek 2. Confirmation by 16S rRNA gene analysis showed 99.39\% similarity (1476/1485 bp) with S. tigurinus AZ_3a(T) (AORU01000002). To the best of our knowledge, this is the first report of isolation of S. tigurinus from the oral cavity of a periodontitis patient.

}, keywords = {periodontitis, Streptococcus tigurinus, VGS}, issn = {0378-1097}, doi = {10.1111/1574-6968.12519}, author = {Dhotre, Shree V. and Mehetre, Gajanan T. and Dharne, Mahesh S. and Suryawanshi, Namdev M. and Nagoba, Basavraj S.} } @article { ISI:000337930900028, title = {Kocuria indica sp nov., isolated from a sediment sample}, journal = {International Journal of Systematic and Evolutionary Microbiology}, volume = {64}, number = {3}, year = {2014}, month = {MAR}, pages = {869-874}, publisher = {SOC GENERAL MICROBIOLOGY}, address = {MARLBOROUGH HOUSE, BASINGSTOKE RD, SPENCERS WOODS, READING RG7 1AG, BERKS, ENGLAND}, abstract = {

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

}, issn = {1466-5026}, doi = {10.1099/ijs.0.052548-0}, author = {Dastager, Syed Gulam and Tang, Shan-Kun and Srinivasan, Krishnamurthi and Lee, Jae-Chan and Li, Wen-Jun} } @article { ISI:000332188100018, title = {Large increase in the energy product of Fe3Se4 by Fe-site doping}, journal = {Journal of Physical Chemistry C}, volume = {118}, number = {8}, year = {2014}, month = {FEB}, pages = {4016-4022}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Fe3Se4 possesses a large coercivity at room temperature. At lower temperature, a coercivity value up to 40 kOe has been achieved. However, due to a relatively lower saturation magnetization value, the energy product of this material is not suitable for its use as rare-earth-free hard magnetic material. Although the anisotropy and magnetic structure of Fe3Se4 have been topics of research, there is no attempt to increase the energy product. Here, we report the synthesis of Fe3-xMnxSe4 (x = 0.01-0.2) nanorods. As required for practical applications, after doping, the Curie temperature remains unchanged; however, at optimum (x = 0.03) doping of manganese ions, the magnetization of the host matrix increases significantly from 4.84 to 7.54 emu/g. The corresponding energy product value was found to be increased by more than 130\%. At low temperature (10 K) the energy product shows almost a 2 order of magnitude increase (similar to 0.12 MG Oe), which makes it valuable for many low temperature applications. This improvement is a vital step for its use in some of the household applications where a large volume and relatively lower energy product are needed.

}, issn = {1932-7447}, doi = {10.1021/jp411956q}, author = {Sen Bishwas, Mousumi and Das, Raja and Poddar, Pankaj} } @article { ISI:000337521700013, title = {Large magnetocaloric effect, moment, and coercivity enhancement after coating Ni nanoparticles with Ag}, journal = {ChemPhysChem}, volume = {15}, number = {8}, year = {2014}, month = {JUN}, pages = {1619-1623}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

We observe a large magnetocaloric effect in monodisperse Ni and NicoreAgshell nanoparticles in the superparamagnetic region. The organically passivated Ni nanospheres show a large magnetic entropy change of 0.9 J kg(-1)K for a 3 T magnetic field change. In comparison to the surfactant-coated Ni nanoparticles, the NicoreAgshell nanoparticles show an enhanced coercivity, magnetization, and magnetocaloric effect (1.3 kgK for a 3 T magnetic field change). The coercivity at 10 K increases from 360 Oe for Ni nanoparticles to nearly 610 Oe for NicoreAgshell particles. This large enhancement is attributed to the enhanced inter-particle interaction, which is mediated by the metallic shell, over the relatively weaker dipolar interaction in the surfactant-coated Ni nanoparticles, and to modification of the surface spin structure.

}, keywords = {anisotropy, core-shell, magnetic properties, Nanoparticles, superparamagnetic}, issn = {1439-4235}, doi = {10.1002/cphc.201300886}, author = {Srinath, Sanyadanam and Poddar, Pankaj and Das, Raja and Sidhaye, Deepti and Bhagavatula L. V. Prasad and Gass, James and Srikanth, Hariharan} } @article { ISI:000329337000031, title = {Ligand-free one-step synthesis of {001} faceted semiconducting BiOCl single crystals and their photocatalytic activity}, journal = {Crystal Growth \& Design}, volume = {14}, number = {1}, year = {2014}, month = {JAN}, pages = {236-239}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Herein, we report one-step ligand-free hydrothermal synthesis of predominantly {001}-faceted micron-sized single crystals of bismuth oxychloride (BiOCl). The structural chlorine is obtained by in situ generation of chloride ions. From Raman spectra, we could resolve the E-g transition. Photocatalytic activity of as-synthesized crystals showed 78\% degradation of RhB dye under a xenon source after 120 min of exposure.

}, issn = {1528-7483}, doi = {10.1021/cg4014366}, author = {Biswas, Anupam and Das, Raja and Dey, Chandan and Banerjee, Rahul and Poddar, Panka} } @article { ISI: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:000337763200018, title = {Matrix-assisted laser desorption/ionization mass spectrometry analysis of dimethyl arginine isomers from urine}, journal = {Analytical Methods}, volume = {6}, number = {13}, year = {2014}, month = {APR}, pages = {4602-4609}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Isomeric asymmetric and symmetric dimethyl arginine (ADMA and SDMA respectively) residues are excreted in urine and are putative markers of cardiovascular and chronic kidney diseases. In this work, we demonstrate simultaneous and quantitative detection of endogeneous ADMA and SDMA from urine samples of healthy subjects using MALDI-TOF MS without any chromatographic separation. The DMA isomers yielded [M + H](+) ions along with their product ions formed due to MALDI in-source fragmentation. The precursor ions were validated using MALDI-TOF MS/MS as well as direct injection ESI-Q-TOF MS/MS. ADMA and SDMA generated unique product ions at similar to m/z 46 and similar to m/z 172 respectively in the MS-mode itself. These were advantageously used for full scan-mode absolute quantification of the isomeric metabolites. The m/z observed for all the ions was within 10 ppm mass accuracy. The calibration method was established by generating internal standard normalized peak area-based concentration response curves using synthetic standards. Good linearities (R-2 \> 0.95) with acceptable intra-assay, inter-assay variation (within 15\% RSD) and excellent recoveries were observed for quality control samples. Finally, endogeneous concentrations of the metabolites were determined in urine from healthy subjects (n = 11). ADMA and SDMA were found to be in the range of 1.6-8 mu M and 2.9-9.1 mu M in urine and were in agreement with previously reported physiological levels.

}, issn = {1759-9660}, doi = {10.1039/c4ay00309h}, author = {Bhattacharya, Nivedita and Singh, Ajeet and Ghanate, Avinash and Phadke, Gayatri and Parmar, Dharmesh and Dhaware, Deepika G. and Basak, Trayambak and Sengupta, Shantanu and Panchagnula, Venkateswarlu} } @article { ISI:000340469800044, title = {Mechanical downsizing of a gadolinium(iii)-based metal-organic framework for anticancer drug delivery}, journal = {Chemistry-A European Journal}, volume = {20}, number = {33}, year = {2014}, month = {AUG}, pages = {10514-10518}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

A Gd-III-based porous metal-organic framework (MOF), Gd-pDBI, has been synthesized using fluorescent linker pDBI (pDBI=(1,4-bis(5-carboxy-1H-benzimidazole-2-yl)benzene)), resulting in a three-dimensional interpenetrated structure with a one-dimensional open channel (1.9x1.2nm) filled with hydrogen-bonded water assemblies. Gd-pDBI exhibits high thermal stability, porosity, excellent water stability, along with organic-solvent and mild acid and base stability with retention of crystallinity. Gd-pDBI was transformed to the nanoscale regime (ca. 140nm) by mechanical grinding to yield MG-Gd-pDBI with excellent water dispersibility (\>90min), maintaining its porosity and crystallinity. In vitro and in vivo studies on MG-Gd-pDBI revealed its low blood toxicity and highest drug loading (12wt\%) of anticancer drug doxorubicin in MOFs reported to date with pH-responsive cancer-cell-specific drug release.

}, keywords = {ball-milling, doxorubicin, drug delivery, metal-organic frameworks, nanocarriers}, issn = {0947-6539}, doi = {10.1002/chem.201402244}, author = {Kundu, Tanay and Mitra, Shouvik and Patra, Prasun and Goswami, Arunava and Diaz, David Diaz and Banerjee, Rahul} } @article { ISI:000342990400003, title = {Mechanosynthesis of imine, beta-ketoenamine, and hydrogen-bonded imine-linked covalent organic frameworks using liquid-assisted grinding}, journal = {Chemical Communications}, volume = {50}, number = {84}, year = {2014}, month = {JUL}, pages = {12615-12618}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A variety of aromatic amines/hydrazides and aldehydes have been utilized for the construction of crystalline COFs at a faster rate and in high yield, irrespective of their reactivity and solubility using the Liquid-Assisted Grinding (LAG) method.

}, issn = {1359-7345}, doi = {10.1039/c4cc03389b}, author = {Das, Gobinda and Shinde, Digambar Balaji and Kandambeth, Sharath and Biswal, Bishnu P. and Banerjee, Rahul} } @article { ISI:000336005600009, title = {Mesoporous, ligand free Cu-Fe solid catalyst mediated CS cross coupling of thiols with aryl halides}, journal = {Applied Catalysis A-General}, volume = {476}, year = {2014}, month = {APR}, pages = {54-60}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Solid catalyst derived from Cu-Fe hydrotalcite was demonstrated to be a novel, ligandless, efficient and environmentally greener catalyst for the synthesis of diaryl sulfurs from the C-S cross coupling reaction of substituted thiols with different aryl halides. This catalyst has shown higher product yield in the presence of dimethylformamide (as a solvent) and K2CO3 (as a base) at 120 C. Influence of different solvents and bases on the product yield has also been investigated. The catalyst can be easily separated from the reaction mixture, simply by filtration and reused several times without a significant loss of its activity. The catalyst has been fully characterized for its surface and bulk properties and the mesoporous CuO:Fe2O3 phase was attributed for its catalytic activity towards S-arylation reactions. (C) 2014 Elsevier B.V. All rights reserved.

}, keywords = {C-S cross coupling, Cu-Fe-hydrotalcite, S-arylation}, issn = {0926-860X}, doi = {10.1016/j.apcata.2014.02.015}, author = {Dumbre, Deepa K. and Selvakannan, P. R. and Patil, S. K. and Choudhary, Vasant R. and Bhargava, Suresh Kumar} } @article { ISI:000336838100008, title = {Metal-catalyzed cross-coupling reactions of halomaleic anhydrides and halomaleimides: synthesis of structurally interesting and biologically important natural and unnatural products}, journal = {Synthesis-Stuttgart}, volume = {46}, number = {3}, year = {2014}, month = {FEB}, pages = {281-289}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

This brief review presents a concise literature account of the metal-catalyzed cross-coupling reactions of halomaleic anhydrides and halomaleimides leading to significant synthetic and natural products. Metal-catalyzed Heck, Suzuki-Miyaura, Stille-Migita, Negishi, Hiyama, and Sonogashira cross-coupling reactions with palladium as the key element are discussed. The metal-catalyzed exchange of a vinylic leaving group by a carbon nucleophile, the SNV reaction, gives a diverse range of bioactive natural and unnatural products.

}, keywords = {bioactive natural and unnatural products, halomaleic anhydride, halomaleimide, metal-catalyzed cross-coupling, synthesis}, issn = {0039-7881}, doi = {10.1055/s-0033-1338579}, author = {Deore, Prashant S. and N. P. Argade} } @article { ISI:000343673200022, title = {Mitigating the cytotoxicity of graphene quantum dots and enhancing their applications in bioimaging and drug delivery}, journal = {ACS Macro Letters}, volume = {3}, number = {10}, year = {2014}, month = {OCT}, pages = {1064-1068}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Despite the promising photophysical properties of fluorescent graphene quantum dots (GQDs), their cellular toxicity needs to be addressed before their full potential could be completely realized in biomedicine. A simple method for mitigating the toxicity of GQDs by embedding them in PEG matrix is reported here. The enhanced biocompatibility of polymer modified, P-GQDs, is attributed to reduced reactive oxygen species generation, as measured by an intracellular ROS assay. We also demonstrate the enhanced loading and efficient intracellular delivery of therapeutics by P-GQDs.

}, issn = {2161-1653}, doi = {10.1021/mz500479k}, author = {Chandra, Anil and Deshpande, Sonal and Shinde, Dhanraj B. and Pillai, Vijayamohanan K. and Singh, Neetu} } @article { ISI:000340330500055, title = {Modeling chain-end scission using the fixed pivot technique}, journal = {Chemical Engineering Science}, volume = {116}, year = {2014}, month = {SEP}, pages = {601-610}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Chain-end scission of polymer molecules is the breakage of a fixed-size oligomer or monomer from either end of the macromolecule. A common example is the generation of the glucose monomer from the hydrolysis of starch by glucoamylase. Modeling the dynamics of chain-end scission from first principles by considering each molecular size is challenging due to the large number of differential equations to be solved. The Population Balance Modeling (PBM) is a helpful framework as it could be formulated to lump a few molecular sizes together. However, it is then not obvious how to accurately account for the temporal evolution of the low molecular weight species, which is often of the greatest industrial interest. Here, the Fixed Pivot (FP) technique - one of the methods to solve PBM equations was appropriately modified to address this difficulty. By treating the lower molecular size range as a discrete domain in conjunction with a continuous domain in the upper ranges, the modified FP technique not only retains its original strengths, but also captures accurately the distribution of oligomers including the monomer. The results, which were obtained at a fraction of computational expense, benchmarked very well against the exact solutions for a polymer with a broad size distribution at different Degrees of Polymerization up to similar to O(10(5)). To facilitate wider adoption, guidelines on choice of pivots and observations of the performance of the modified FP technique are also deliberated. (C) 2014 Elsevier Ltd. All rights reserved.

}, keywords = {Chain-end scission, Fixed Pivot, Polymers, Population balance}, issn = {0009-2509}, doi = {10.1016/j.ces.2014.05.035}, author = {Ho, Yong Kuen and Doshi, Pankaj and Yeoh, Hak Koon and Ngoh, Gek Cheng} } @article { ISI:000346168600001, title = {Modification of crystal anisotropy and enhancement of magnetic moment of Co-doped SnO2 thin films annealed under magnetic field}, journal = {Nanoscale Research Letters}, volume = {9}, year = {2014}, month = {NOV}, pages = {635}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

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

}, keywords = {Antiferromagnetism, Crystal anisotropy, Diluted magnetic oxide, Ferromagnetism, Magnetic anisotropy, Magnetic moment, Spin axis, thin film}, issn = {1556-276X}, doi = {10.1186/1556-276X-9-635}, author = {Loya-Mancilla, Sagrario M. and Poddar, Pankaj and Das, Raja and Ponce, Hilda E. Esparza and Templeton-Olivares, Ivan L. and Solis-Canto, Oscar O. and Ornelas-Gutierrez, Carlos E. and Espinosa-Magaa, Francisco and Olive-Mendez, Sion F.} } @article { ISI: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:000335924100043, title = {Multifunctional and robust covalent organic framework-nanoparticle hybrids}, journal = {Journal of Materials Chemistry A}, volume = {2}, number = {21}, year = {2014}, month = {MAR}, pages = {7944-7952}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Highly dispersed Pd(0) nanoparticles were successfully immobilized into a stable, crystalline and porous covalent organic framework (COF), TpPa-1, by a solution infiltration method using NABH(4) as a reducing agent. High resolution and dark field TEM images confirmed the uniform loading of the Pd(0) nanoparticles into the TpPa-1 matrix without aggregation. This hybrid material exhibited excellent catalytic activity towards the Cu free Sonogashira, Heck and sequential one pot Heck-Sonogashira cross-coupling reactions under basic conditions, and with superior performance compared to commercially available Pd supported on activated charcoal (i.e., 1, 5 and 10 wt\%). Additionally, the precursor Pd(II)-doped COF also displayed competitive catalytic activity for the intramolecular oxidative biaryl synthesis under acidic conditions. Both catalysts were found to be highly stable under the reaction conditions showing negligible metal leaching, non-sintering behavior, and good recyclability. To the best of our knowledge, the organic support used in this work, TpPa-1, constitutes the first COF matrix that can hold both Pd(0) nanoparticles and Pd(II) complex without aggregation for catalytic purposes under both highly acidic and basic conditions.

}, issn = {2050-7488}, doi = {10.1039/c4ta00284a}, author = {Pachfule, Pradip and Panda, Manas K. and Kandambeth, Sharath and Shivaprasad, S. M. and Diaz, David Diaz and Banerjee, Rahul} } @article { ISI:000328260200011, title = {Multi-walled CNT-induced phase behaviour of poly(vinylidene fluoride) and its electro-mechanical properties}, journal = {Journal of Materials Science}, volume = {49}, number = {1}, year = {2014}, month = {JAN}, pages = {103-113}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

A simple two-step process was used to disperse acid functionalizedmulti-walled carbon nanotubes (CNTs) in poly(vinylidene fluoride) (PVDF). While the neat solvent-cast PVDF showed coexistence of alpha- and beta-phases; the composite films exhibited only beta-phase crystals. Further studies on the crystalline behaviour, using differential scanning calorimetry and small-angle X-ray scattering techniques showed an increase in the percentage of crystalline phase with CNT. The network formed by CNTs in the matrix reduced the macroscopic electrical resistivity of composite films. The dielectric constant increased with CNT loading. Further, these composites were investigated for its electromagnetic wave absorbance (EWA) and strain sensing properties. The EWA properties were studied in the X-band (6-12 GHz) region. A maximum of similar to 37 dB reflectivity loss at similar to 9.0 GHz was obtained in a similar to 25 mu m thick PVDF film containing only 0.25 wt\% of functionalized CNT. Preliminary studies showed a systematic change in electrical resistance by the application of dynamic bending strain in nanocomposite film. The film also showed a significant improvement in mechanical stiffness owing to efficient stress transfer from matrix to filler, the property desirable for a good strain sensor. In view of the unique combination of EWA and electro-mechanical properties, the nanocomposite films are expected to serve as a multifunctional material for strain sensing in health monitoring as well as in radar absorption.

}, issn = {0022-2461}, doi = {10.1007/s10853-013-7681-2}, author = {Rath, Sangram K. and Dubey, Sachin and Kumar, G. Sudheer and Kumar, Sanjay and Patra, A. K. and Bahadur, Jitendra and Singh, A. K. and Harikrishnan, G. and Patro, T. Umasankar} } @article { ISI:000330814200017, title = {Nanodiamond particles/reduced graphene oxide composites as efficient supercapacitor electrodes}, journal = {Carbon}, volume = {68}, year = {2014}, month = {MAR}, pages = {175-184}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The paper reports on the preparation of reduced graphene oxide (rGO) modified with nanodiamond particles composites by a simple solution phase and their use as efficient electrode in electrochemical supercapacitors. The technique relies on heating aqueous solutions of graphene oxide (GO) and nanodiamond particles (NDs) at different ratios at 100 degrees C for 48 h. The morphological properties, chemical composition and electrochemical behavior of the resulting rGO/NDs nanocomposites were investigated using UV/vis spectrometry, Fourier transform infrared (FTIR) spectroscopy, Raman spectroscopy, transmission electron microscopy (TEM) and electrochemical means. The electrochemical performance, including the capacitive behavior of the rGO/NDs composites were investigated by cyclic voltammetry and galvanostatic charge/discharge curves at 1 and 2 A g(-1) in 1 M H2SO4. The rGO/ND matrix with 10/1 ratio displayed the best performance with a specific capacitance of 186 +/- 10 F g (-1) and excellent cycling stability. (C) 2013 Elsevier Ltd. All rights reserved.

}, issn = {0008-6223}, doi = {10.1016/j.carbon.2013.10.077}, author = {Wang, Qi and Plylahan, Nareerat and Shelke, Manjusha V. and Devarapalli, Rami Reddy and Li, Musen and Subramanian, Palaniappan and Djenizian, Thierry and Boukherroub, Rabah and Szunerits, Sabine} } @article { ISI:000344978200129, title = {Nanostructured donor-acceptor self assembly with improved photoconductivity}, journal = {ACS Applied Materials \& Interfaces}, volume = {6}, number = {21}, year = {2014}, month = {NOV}, pages = {19434-19448}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Nanostructured supramolecular donor-acceptor assemblies were formed when an unsymmetrical N-substituted pyridine functionalized perylenebisimide (UPBI-Py) was complexed with oligo(p-phenylenevinylene) (OPVM-OH) complementarily functionalized with hydroxyl unit and polymerizable methacrylamide unit at the two termini. The resulting supramolecular complex [UPBI-Py (OPVM-OH)](1.0) upon polymerization by irradiation in the presence of photoinitiator formed well-defined supramolecular polymeric nanostructures. Self-assembly studies using fluorescence emission from thin film samples showed that subtle structural changes occurred on the OPV donor moiety following polymerization. The 1:1 supramolecular complex showed red-shifted aggregate emission from both OPV (similar to 500 nm) and PBI (similar to 640 nm) units, whereas the OPV aggregate emission was replaced by intense monomeric emission (similar to 430 nrn) upon polymerizing the methacrylamide units on the OPVM-OH. The bulk structure was studied using wide-angle X-ray diffraction (WXRD). Complex formation resulted in distinct changes in the cell parameters of OPVM-OH. In contrast, a physical mixture of 1 mol each of OPVM-OH and UPBI-Py prepared by mixing the powdered solid samples together showed only a combination of reflections from both parent molecules. Thin film morphology of the 1:1 molecular complex as well as the supramolecular polymer complex showed uniform lamellar structures in the domain range \<10 rim. The donor-acceptor supramolecular complex [UPBI-Py (OPVM-OH)](1.0) exhibited space charge limited current (SCLC) with a bulk mobility estimate of an order of magnitude higher accompanied by a higher photoconductivity yield compared to the pristine UPBI-Py. This is a very versatile method to obtain spatially defined organization of n and p-type semiconductor materials based on suitably functionalized donor and acceptor molecules resulting in improved photocurrent response using self-assembly.

}, keywords = {donor-acceptor, hydrogen bonding, oligo(p-phenylenevinylene), Perylenebisimide, photoconductivity, supramolecular polymeric nanostructures}, issn = {1944-8244}, doi = {10.1021/am5055542}, author = {Saibal, B. and Ashar, A. Z. and Devi, R. Nandini and Narayan, K. S. and Asha, S. K.} } @article { ISI:000341282100018, title = {New Ru(II)/Os(II)-polypyridyl complexes for coupling to TiO2 surfaces through acetylacetone functionality and studies on interfacial electron-transfer dynamics}, journal = {Dalton Transactions}, volume = {43}, number = {36}, year = {2014}, month = {SEP}, pages = {13601-13611}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

New Ru(II)- and Os(II)-polypyridyl complexes have been synthesized with pendant acetylacetone (acac) functionality for anchoring on nanoparticulate TiO2 surfaces with a goal of developing an alternate sensitizer that could be utilized for designing an efficient dye-sensitized solar cell (DSSC). Time-resolved transient absorption spectroscopic studies in the femtosecond time domain have been carried out. The charge recombination rates are observed to be very slow, compared with those for strongly coupled dye molecules having catechol as the anchoring functionality. The results of such studies reveal that electron-injection rates from the metal complex-based LUMO to the conduction band of TiO2 are faster than one would expect for an analogous complex in which the chromophoric core and the anchoring moiety are separated with multiple saturated C-C linkages. Such an observation is rationalized based on computational studies, and a relatively smaller spatial distance between the dye LUMO and the TiO2 surface accounted for this. Results of this study are compared with those for analogous complexes having a gem-dicarboxy group as the anchoring functionality for covalent binding to the TiO2 surface to compare the role of binding functionalities on electron-transfer dynamics.

}, issn = {1477-9226}, doi = {10.1039/c4dt01571a}, author = {Banerjee, Tanmay and Biswas, Abul Kalam and Sahu, Tuhin Subhra and Ganguly, Bishwajit and Das, Amitava and Ghosh, Hirendra Nath} } @article { ISI:000341363200040, title = {Nickel ferrite nanoparticles-hydrogen peroxide: a green catalyst-oxidant combination in chemoselective oxidation of thiols to disulfides and sulfides to sulfoxides}, journal = {RSC Advances}, volume = {4}, number = {69}, year = {2014}, month = {JUL}, pages = {36702-36707}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Nickel ferrite nanoparticles-hydrogen peroxide has been demonstrated for the first time as a green and efficient catalyst-oxidant combination in the chemoselective oxidation of thiols to disulfides and sulfides to sulfoxides. This magnetically separable catalyst was found to be reusable for five consecutive runs without appreciable change in the activity, as well as composition of the catalyst. The mechanism for the oxidation of thiols and sulfides has also been proposed.

}, issn = {2046-2069}, doi = {10.1039/c4ra04095c}, author = {Kulkarni, Aparna M. and Desai, Uday V. and Pandit, Kapil S. and Kulkarni, Makarand A. and Wadgaonkar, Prakash P.} } @article { ISI:000344997500118, title = {Nitrogen-doped graphene interpenetrated 3D Ni-nanocages: efficient and stable water-to-dioxygen electrocatalysts}, journal = {Nanoscale}, volume = {6}, number = {21}, year = {2014}, month = {SEP}, pages = {13179-13187}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Herein, we report the synthesis of a nitrogen-doped graphene (NGr) interpenetrated 3D Ni-nanocage (Ni-NGr) electrocatalyst by a simple water-in-oil (w/o) emulsion technique for oxidation of water to dioxygen. Correlation of adsorption of NGr and subsequent interpenetration through the specific surface plane of nickel particles as well as the concomitant interaction of N and C with Ni in the nano-regime has been investigated. Apart from the benefits of the synergistic interactions between Ni, N, and C, the overall integrity of the structure and its intra-molecular connectivity within the framework help in achieving better oxygen evolution characteristics at a significantly reduced overpotential. The engineered Ni-NGr nanocage displays a substantially low overpotential of similar to 290 mV at a practical current density of 20 mA cm(-2) in 0.1 M KOH. In comparison, NGr and Ni-particles as separate entities give overpotentials of similar to 570 and similar to 370 mV under similar conditions. Moreover, the long term stability of Ni-NGr was investigated by anodic potential cycling for 500 cycles and an 8.5\% increment in the overpotential at 20 mA cm(-2) was observed. Additionally, a chronoamperometric test was performed for 15 h at 20 mA cm(-2), which highlights the better sustainability of Ni-NGr under the actual operating conditions. Finally, the quantitative estimation of evolved oxygen was monitored by gas chromatography and was found to be 70 mmol h(-1) g(-1) of oxygen, which is constant in the second cycle as well.

}, issn = {2040-3364}, doi = {10.1039/c4nr03578j}, author = {Dhavale, Vishal M. and Gaikwad, Sachin S. and George, Leena and Devi, R. Nandini and Kurungot, Sreekumar} } @article { ISI:000329101700009, title = {Nonisothermal analysis of extrusion film casting process using molecular constitutive equations}, journal = {Rheologica Acta}, volume = {53}, number = {1}, year = {2014}, month = {JAN}, pages = {85-101}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

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

}, keywords = {Branched, Extrusion, Film, Linear, Necking, Nonisothermal, Polyethylene}, issn = {0035-4511}, doi = {10.1007/s00397-013-0739-x}, author = {Pol, Harshawardhan and Banik, Sourya and Azad, Lal Busher and Thete, Sumeet Suresh and Doshi, Pankaj and Lele, Ashish K.} } @article { ISI:000341287200025, title = {Nonstoichiometric calcium pyrophosphate: a highly efficient and selective catalyst for dehydration of lactic acid to acrylic acid}, journal = {RSC Advances}, volume = {4}, number = {63}, year = {2014}, month = {JUL}, pages = {33319-33326}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Calcium phosphate catalysts were prepared by co-precipitation method using calcium nitrate and mixtures of ammonium and different sodium phosphates as calcium and phosphate precursors, respectively. Depending on the phosphate precursor, the pH of the synthesis mixture changed during the catalyst precipitation. The catalyst characterisation by XRD and ICP revealed the formation of a calcium pyrophosphate structure with varying Ca/P ratio from 1.02 to 0.76 which could be correlated to the different pH of the synthesis solutions. Vapour phase dehydration of lactic acid to acrylic acid was carried out using these calcium pyrophosphate catalysts. Non-stoichiometric calcium pyrophosphate catalyst with Ca/P ratio 0.76 was found to be the most efficient catalyst among the synthesized series with 100\% lactic acid conversion and 78\% acrylic acid selectivity at 375 degrees C. The higher selectivity for acrylic acid has been correlated to the increased acidity and reduced basicity of non-stoichiometric calcium pyrophosphate compared to other stoichiometric pyrophosphates. In situ FTIR studies showed the formation of a higher amount of calcium lactate on non-stoichiometric compared to stoichiometric pyrophosphate leading to higher selectivity for acrylic acid.

}, issn = {2046-2069}, doi = {10.1039/c4ra06429a}, author = {Ghantani, Vidhya C. and Dongare, Mohan K. and Shubhangi B. Umbarkar} } @article { ISI:000341083400001, title = {Novel, concise and efficient protocol for non-natural piperidine compounds}, journal = {RSC Advances}, volume = {4}, number = {62}, year = {2014}, month = {JUL}, pages = {32594-32598}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Formal synthesis of L-altro-1-deoxynojirimycin, cis-3-hydroxypipecolic acid along with synthesis of (R)-piperidinol and a conceptually different advanced intermediate for non-natural piperidine alkaloids is reported from cis-butene-1,4-diol. The key reactions involved are Johnson-Claisen rearrangement, Sharpless asymmetric dihydroxylation, reductive lactamization and novel regioselective elimination.

}, issn = {2046-2069}, doi = {10.1039/c4ra04558k}, author = {Chavan, Subhash P. and Dumare, Nilesh B. and Pawar, Kailash P.} } @article { ISI:000340513400023, title = {Novel fluorescence probe for estimation of cysteine/histidine in human blood plasma and recognition of endogenous cysteine in live Hct116 cells}, journal = {Chemical Communications}, volume = {50}, number = {69}, year = {2014}, month = {SEP}, pages = {9899-9902}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A new Cu(II)-complex is used as a {\textquoteleft}{\textquoteleft}Turn-On{\textquoteright}{\textquoteright} luminescence probe for specific detection of endogenous Cys in live Hct116 cells and Cys present in human blood plasma without any interference from other amino acids, especially GSH and Hcy. Difference in the mechanistic pathway for Cys and His recognition is discussed.

}, issn = {1359-7345}, doi = {10.1039/c4cc04214j}, author = {Reddy, Upendar G. and Agarwalla, Hridesh and Taye, Nandaraj and Ghorai, Suvankar and Chattopadhyay, Samit and Das, Amitava} } @article { ISI:000348013600024, title = {Novel synthesis and characterization of CuO nanomaterials: biological applications}, journal = {Chinese Chemical Letters}, volume = {25}, number = {12}, year = {2014}, month = {DEC}, pages = {1615-1619}, publisher = {ELSEVIER SCIENCE INC}, address = {360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA}, abstract = {

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

}, keywords = {Annealing, Antibacterials, CuO nanoparticles, Cytotoxicity, HeLa cell lines}, issn = {1001-8417}, doi = {10.1016/j.cclet.2014.07.014}, author = {Devi, Ayekpam Bimolini and Moirangthem, Dinesh Singh and Talukdar, Narayan Chandra and Devi, M. Damayanti and Singh, N. Rajen and Luwang, Meitram Niraj} } @article { ISI:000332061900022, title = {Observation of exchange bias below incommensurate antiferromagnetic (ICAFM) to canted A-type antiferromagnetic (cAAFM) transition in nanocrystalline orthorhombic EuMnO3}, journal = {RSC Advances}, volume = {4}, number = {21}, year = {2014}, month = {DEC}, pages = {10614-10618}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Detailed ac and dc magnetic properties of orthorhombic EuMnO3 were studied using a nanocrystalline powder sample. Orthorhombic EuMnO3 nanoparticles of 45 nm average size were synthesised using a hydrothermal method. Zero field cooled (ZFC) and field cooled (FC) magnetisation shows anomalies at similar to 53, 44 and 24 K attributed to paramagnetic (PM) to an incommensurate antiferromagnetic phase (ICAFM), ICAFM to a canted A-type antiferromagnetic order (cAAFM) and spin reorientation transitions, respectively. No indication of a PM to ICAFM transition was observed in either the real or imaginary part of ac magnetisation. The real part of the ac magnetisation curve showed a peak at similar to 24.7 K and anomalies at similar to 46.8 and 21.8 K were observed in the imaginary part of ac magnetisation. Reduction in the width of the thermal hysteresis between the field cooling and heating magnetisation curve was observed with the nanocrystallites (similar to 1 K) compared with the bulk phase (similar to 3 K) EuMnO3. Isothermal magnetisation showed a large value of the exchange bias (2799 Oe at 3 K) below the ICAFM to cAAFM transition temperature.

}, issn = {2046-2069}, doi = {10.1039/c3ra45435e}, author = {Das, Raja and Poddar, Pankaj} } @article { ISI:000339540700077, title = {Off-stoichiometric nickel cobaltite nanoparticles: thermal stability, magnetization, and neutron diffraction studies}, journal = {Journal of Physical Chemistry C}, volume = {118}, number = {29}, year = {2014}, month = {JUL}, pages = {16246-16254}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

In the present investigation, we report a detailed examination of the effect of off-stoichiometry introduced in NiCo2O4 by adding excess cobalt. Thus, we compare and analyze the structural and magnetic properties of the Ni075Co2.25O4 and NiCo2O4 cubic systems. A low temperature combustion method was utilized to synthesize stoichiometric (NiCo2O4) and off-stoichiometric (Ni0.75Co2.25O4) nanoparticles on a large scale. The X-ray diffraction pattern for the sample annealed at high temperature (773 K) shows the presence of a much less intense NiO phase (similar to 2-5\%) in Ni0.75Co2.25O4 as compared to that in the case of NiCo2O4 sample (similar to 15-20\%). The Ni 2p and Co 2p XPS spectra reveal the coexistence of Ni2+, Ni3+, Co2+, and Co3+ species on the surface of both the NiCo2O4 and Ni0.75Co2.23O4 samples in differing proportions. In addition to the basic magnetic characterizations using PPMS, these were also analyzed by neutron diffraction. The off-stoichiometric Ni0.75Co2.25O4 sample shows an interesting magnetic phase conversion from frustrated dipolar system to an enhanced magnetic ordering upon annealing. Local moments on the lattice sites of NiCo2O4 and Ni0.75Co2.25O4 samples are further compared by neutron diffraction confirming stronger ordered moments and enhanced structural and thermal stability for the Ni0.75Co2.25O4 sample.

}, issn = {1932-7447}, doi = {10.1021/jp504538y}, author = {Verma, Seema and Kumar, Amit and Pravarthana, D. and Deshpande, Aparna and Ogale, Satishchandra B. and Yusuf, S. M.} } @article { ISI:000344382800045, title = {One-pot synthesis of ultrasmall MoO3 nanoparticles supported on SiO2, TiO2, and ZrO2 nanospheres: an efficient epoxidation catalyst}, journal = {Journal of Materials Chemistry A}, volume = {2}, number = {44}, year = {2014}, month = {SEP}, pages = {19060-19066}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Ultrasmall molybdenum oxide (MoO3) nanoparticles supported on various (SiO2, TiO2 or ZrO2) nanospheres were synthesized in one pot using a reverse micelle method. The prepared catalysts were thoroughly characterized by various physico-chemical methods. TEM images showed uniform dispersion of MoO3 nanoparticles (1.5-4 nm) onto silica (similar to 275 nm). No separate MoO3 particles were identified from TEM for MoO3/TiO2 (similar to 10.5 nm) and MoO3/ZrO2 (similar to 6.5 nm) because AHM reacted with titanium and zirconium hydroxides to form solid solution. Among the prepared catalysts MoO3/SiO2 showed excellent catalytic activity (up to 90\% conversion and 100\% epoxide selectivity) for olefin epoxidation. The catalyst was successfully recycled up to five cycles without losing much activity and selectivity.

}, issn = {2050-7488}, doi = {10.1039/c4ta03754e}, author = {Chandra, Prakash and Doke, Dhananjay S. and Shubhangi B. Umbarkar and Biradar, Ankush V.} } @article { ISI:000341017700012, title = {Optimization of the anti-cancer activity of the phosphatidylinositol-3 kinase pathway inhibitor PITENIN-1: switching thiourea with 1,2,3-triazole}, journal = {Medchemcomm}, volume = {5}, number = {9}, year = {2014}, month = {SEP}, pages = {1359-1363}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

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

}, issn = {2040-2503}, doi = {10.1039/c4md00109e}, author = {Kommagalla, Yadagiri and Cornea, Sinziana and Riehle, Robert and Torchilin, Vladimir and Degterev, Alexei and Ramana, Chepuri V.} } @article { ISI:000327845900029, title = {Orthorhombic/cubic Cd2SnO4 nanojunctions: enhancing solar water splitting efficiency by the suppression of charge recombination}, journal = {Journal of Materials Chemistry A}, volume = {2}, number = {2}, year = {2014}, month = {NOV}, pages = {492-499}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The low practical efficiency of binary metal oxide semiconductor-based photo-electrochemical (PEC) water splitting has prompted researchers to examine ternary and quaternary oxides, which provide more leverage for engineering the desired PEC properties via stoichiometry (valence) and phase control. One ternary system of interest in this context is cadmium tin oxide (Cd2SnO4), which supports the cubic and orthorhombic phases with optical, electronic and catalytic properties that are favourable for PEC water splitting. However, its practical PEC performance is limited by high surface recombination of the photogenerated charge carriers. In this work we circumvent this problem by engineering the constitution of Cd2SnO4 nanoparticles to a biphasic nanojunction form, comprising of a nanocomposite of cubic and orthorhombic phases. The favourable conduction band alignment between the cubic and orthorhombic phases leads to a dramatic reduction in the recombination of the photogenerated charges, leading to a 10-fold increase (from 250 mu A cm(2) to over 2 mA cm(2)) in the photocurrent vis-a-vis the single cubic or orthorhombic phase performance. We discuss the underlying mechanism for the observed dramatic enhancement in the water splitting efficiency.

}, issn = {2050-7488}, doi = {10.1039/c3ta13851h}, author = {Deshpande, Aparna and Kelkar, Sarika A. and Rayalu, Sadhana and Ogale, Satishchandra} } @article { ISI:000341288500041, title = {Overview of the recent developments on Hg2+ recognition}, journal = {RSC Advances}, volume = {4}, number = {68}, year = {2014}, month = {JUN}, pages = {36140-36174}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Adverse influences of mercury on living organisms are well known. Despite efforts from various regulatory agencies, the build-up of Hg2+ concentration in the environment is of serious concern. This necessitates the search for new and efficient reagents for recognition and detection of Hg2+ in environmental samples as well as for application in diagnostics. Among various detection processes adopted for designing such reagents, generally methodologies that allow associated changes in spectra properties are preferred for the obvious ease in the detection process. Significant changes in the electronic spectral pattern in the visible region of the spectrum also induce detectable changes in solution colour for naked-eye detection and are useful for developing reagents for in-field sample analysis with yes-no type binary responses. However, reagents that allow detection of Hg2+ with associated fluorescence on response are useful for detection of Hg2+ in environmental samples, as well as for use as an imaging reagent, for detection of cellular uptake. High spin-orbit coupling constant for Hg2+ along with its high solvation energy in aqueous medium poses a challenge in developing efficient reagents with fluorescence on response that work in aqueous medium/physiological condition. To get around this problem, several methodologies, like conversion of rhodamine derivative spirolactam to strongly fluorescent xanthenes that form on binding to Hg2+, chemodosimetric reaction for generation of a new luminescent derivative, have been adopted. Apart from these, modified charge transfer processes on binding to Hg2+ have also been utilized for designing reagents for optical detection of Hg2+. Immobilization of such reagents on solid surfaces also led to the development of self-indicating Hg2+ ion scavengers. All such examples are discussed in the present review.

}, issn = {2046-2069}, doi = {10.1039/c4ra03594a}, author = {Mahato, Prasenjit and Saha, Sukdeb and Das, Priyadip and Agarwalla, Hridesh and Das, Amitava} } @article {45975, title = {Palladium nanoparticles supported on magnesium hydroxide fluorides: a selective catalyst for olefin hydrogenation}, journal = {ChemCatChem}, volume = {6}, year = {2014}, month = {NOV}, pages = {3182-3191}, type = {Article}, abstract = {

A one-pot synthesis of palladium nanoparticles supported on magnesium hydroxide fluoride has been performed with the fluorolytic sol-gel method. The prepared catalysts were characterized by using various physicochemical techniques. The sol-gel method led to high surface area (\>135 m(2)g(-1)), mesoporous catalysts (pore volume=0.19-0.23 cm(3)g(-1), pore diameter=3-5 nm) with uniformly dispersed palladium nanoparticles approximately 2 nm in diameter on the surface. The catalysts synthesized by using different concentrations of aqueous hydrofluoric acid exhibited changing surface and acidic properties. Very high dispersion of palladium on magnesium fluoride (47\%) was obtained with 1 wt\% palladium loading. The catalysts were used for hydrogenation of various olefins in the presence of other organic functionalities at room temperature and atmospheric hydrogen pressure. Various substituted olefins were hydrogenated with almost 100\% conversion and selectivity. The catalysts were recycled efficiently over five cycles without appreciable loss in catalytic activity. There was no palladium leaching under the reaction conditions, which was confirmed by inductively coupled plasma atomic emission spectroscopy analysis. Activation of olefin on the catalyst surface could not be observed by in situ FTIR studies, indicating facile activation of hydrogen on the palladium supported on magnesium hydroxide fluoride.

}, keywords = {alkenes, heterogeneous catalysis, Hydrogenation, magnesium fluorides, Palladium}, issn = {1867-3880}, doi = {10.1002/cctc.201402469}, author = {Acham, Vaibhav R. and Biradar, Ankush V. and Dongare, Mohan K. and Kemnitz, Erhard and Umbarkar, Shubhangi B.} } @article { ISI:000336020400012, title = {Partitioned EOMEA-MBPT(2): an efficient N-5 scaling method for calculation of electron affinities}, journal = {Journal of Chemical Theory and Computation}, volume = {10}, number = {5}, year = {2014}, month = {APR}, pages = {1923-1933}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

We present an N-5 scaling modification to the standard EOMEA-CCSD method, based on the matrix partitioning technique and perturbative approximations. The method has lower computational scaling and smaller storage requirements than the standard EOMEA-CCSD method and, therefore, can be used to calculate electron affinities of large molecules and clusters. The performance and capabilities of the new method have been benchmarked with the standard EOMEA-CCSD method, for a test set of 20 small molecules, and the average absolute deviation is only 0.03 eV. The method is further used to investigate electron affinities of DNA and RNA nucleobases, and the results are in excellent agreement with the experimental values.

}, issn = {1549-9618}, doi = {10.1021/ct4009409}, author = {Dutta, Achintya Kumar and Gupta, Jitendra and Pathak, Himadri and Vaval, Nayana and Pal, Sourav} } @article { ISI:000327380800001, title = {Pd-Phosphinesulfonate bravely battles the {\textquoteleft}{\textquoteleft}vinyl halide insertion copolymerization{\textquoteright}{\textquoteright} barricade}, journal = {Journal of Polymer Science Part A-Polymer Chemistry}, volume = {52}, number = {1}, year = {2014}, month = {JAN}, pages = {1-6}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

This overview provides insights into the current state-of-the-art solutions to insertion copolymerization of functional olefinic monomers. The challenges in insertion copolymerization of functional olefinic monomers, with a special emphasis on vinyl halides, are highlighted. The crucial design of the Pd-phosphinesulfonate [Pd(PO)] enables up to 3.6 mol \% incorporation of vinyl fluoride (VF) in an ethylene-VF copolymerization reaction. In a significant development, insertion copolymerization of industrially relevant functional olefin, that is, vinyl chloride (VC), was unambiguously ascertained, and a detectable amount of VC (0.4 mol \%) was incorporated (at the chain end). In a detailed investigation, the in situ existence of (PO)PdH species during the polymerization was revealed, and it was demonstrated that these are indeed responsible for VC incorporation. (c) 2013 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2014, 52, 1-6

}, keywords = {functional olefin, insertion copolymerization, palladium catalyst, phosphinesulfonate, vinyl chloride}, issn = {0887-624X}, doi = {10.1002/pola.26968}, author = {Gaikwad, Shahaji R. and Deshmukh, Satej S. and Chikkali, Samir H.} } @article { ISI:000340446300061, title = {Photocatalytic H-2 evolution from water-methanol system by anisotropic InFeO3(ZnO)(m) oxides without cocatalyst in visible light}, journal = {ACS Applied Materials \& Interfaces}, volume = {6}, number = {15}, year = {2014}, month = {AUG}, pages = {12321-12327}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

InFeO3(ZnO)(m), series of oxides are found to give unprecedented H-2 evolution from water-methanol mixtures without using any cocatalysts. This family of compounds has an anisotropically layered structure in which Zn/FeOn polyhedra are sandwiched between InO6 octahedral layers. Local structure characterization by X-ray absorption spectroscopy reveals that Zn coordination changes from pentacoordinated to tetrahedral geometry across the series, whereas Fe geometry remains trigonal bipyramidal in all the compounds. This peculiar structure is conducive for a spatial separation of photogenerated charges reducing recombination losses. Band gap energies calculated from absorption spectra indicate potential visible light activity, and this may be due to the orbital mixing of Fe 3d and O 2p as revealed by pre-edge features of X-ray absorption spectra. Band positions are also advantageously placed for a visible light H-2 generation and is indeed found to be the case in methanol-assisted water splitting with standardized hydrogen evolution of similar to 19.5 mmol g(-1) h(-1) for all the catalysts.

}, keywords = {anisotropic structure, H-2 evolution, InFeO3(ZnO)(m), layered oxide, photocatalytic water splitting}, issn = {1944-8244}, doi = {10.1021/am501976z}, author = {Narendranath, Soumya B. and Yadav, Ashok Kumar and Bhattacharyya, Dibyendu and Jha, Shambhu Nath and Devi, R. Nandini} } @article { ISI:000343686500039, title = {Photocatalytic metal-organic framework from cds quantum dot incubated luminescent metallohydrogel}, journal = {Journal of the American Chemical Society}, volume = {136}, number = {42}, year = {2014}, month = {OCT}, pages = {14845-14851}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

}, issn = {0002-7863}, doi = {10.1021/0509019k}, author = {Saha, Subhadeep and Das, Gobinda and Thote, Jayshri and Banerjee, Rahul} } @article { ISI:000332999800006, title = {Photoelectrochemical splitting of water with nanocrystalline Zn1-xMnxO thin films: first-principle DFT computations supporting the systematic experimental endeavor}, journal = {International Journal of Hydrogen Energy}, volume = {39}, number = {8}, year = {2014}, month = {MAR}, pages = {3637-3648}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Photoelectrochemical splitting of water with nanocrystalline Zn1-xMnxO thin films was investigated. ZnO thin films with 1, 3, 5 and 7\% at. Mn incorporation were synthesized by sol gel method and characterized by X-Ray Diffraction (XRD) analysis, Scanning Electron Microscopy (SEM), Atomic Force Microscopy (AFM), X-ray Photoelectron spectroscopy (XPS), High Resolution Transmission Electron Microscopy (HR-TEM) and UV-Vis spectroscopy. Mn incorporation coupled with variation in sintering temperature led to significant microstructural changes, which tentatively influenced the magnitude of optical absorption and charge carrier mobility, thereby impacting the performance of such systems towards photoelectrochemical splitting of water. Electronic structure computations based on first principle density functional theory (DFT) revealed electronic states of Mn being responsible for the marginally recorded red shift in bandgap energy. Photoelectrochemical measurements using thin films of 1\% at. Mn:ZnO sintered at 600 degrees C yielded 3 times enhanced photocurrent at zero bias due to improved optical absorption. Plausible explanations for the effect have also been offered. Copyright (C) 2014, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved.

}, keywords = {Density functional theory, Hydrogen energy, Mn doped ZnO, Optical properties, Photoelectrochemical water splitting}, issn = {0360-3199}, doi = {10.1016/j.ijhydene.2013.12.150}, author = {Sharma, Vidhika and Dixit, Mudit and Satsangi, Vibha R. and Dass, Sahab and Pal, Sourav and Shrivastav, Rohit} } @article { ISI:000333205200008, title = {Photophysical and photoconductivity properties of thiol-functionalized graphene-CdSe QD composites}, journal = {RSC Advances}, volume = {4}, number = {27}, year = {2014}, month = {JAN}, pages = {13788-13795}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Graphene-semiconductor QD hybrid nanostructure materials have recently emerged as a new class of functional materials because of their potential applications in solar energy conversion, optoelectronic devices, sensing etc. Here, oleic acid-capped CdSe QDs are attached to -PhSH functionalized graphene by ligand exchange via bonding with the -SH group. The shifting of the G-band and D-band due to structural changes for the attachment of QD with graphene has been evaluated by using Raman spectroscopy. Steady state photoluminescence (PL) and time resolved fluorescence measurements have been employed to understand the electronic interactions between graphene and CdSe QDs. A time resolved fluorescence spectroscopic study has been used to understand the fluorescence dynamics of the photoexcitated CdSe QDs in the presence of graphene. It is evident that the electron transfer occurs from photoexcited QDs to graphene and the electron transfer rate is found to be 12.8 x 10(8) s(-1) for 3.8 nm CdSe QDs. Photoconductivity properties of the graphene-QD device under illumination have been examined and it is to be noted that 2-3 fold increase in the photocurrent is found in this composite device in presence of 1.5 AM solar simulated light. The enhancement of the photocurrent in this hybrid device is found to be suitable for potential applications in optoelectronic and solar cell systems.

}, issn = {2046-2069}, doi = {10.1039/c3ra47420h}, author = {Debgupta, Joyashish and Mandal, Sadananda and Kalita, Hemen and Aslam, Mohammed and Patra, Amitava and Pillai, Vijayamohanan} } @article { ISI:000337617500028, title = {Plasmon-enhanced photocurrent generation from click-chemically modified graphene}, journal = {Chemistry-A European Journal}, volume = {20}, number = {24}, year = {2014}, month = {JUN}, pages = {7402-7409}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

The visible-light response of Au nanoparticles (AuNPs) assembled on rGO through different molecular bridges was investigated by transient photocurrent generation. We prepared rGO with two self-assembled monolayers (SAMs), one linear and the other with aromatic triazoles through a click cycloaddition reaction. A fivefold photocurrent enhancement was observed for triazole linkers over the aminopropyltrimethoxysilane (APTMS) linker. Cyclic voltammetry (CV) and impedance measurements also suggest fast electron transfer on account of the low resistance offered by the click-modified rGO surface whereby introduction of triazoles offers the efficient bridge between the donor AuNPs and acceptor rGO.

}, keywords = {Gold, graphene, Nanoparticles, photophysics, surface plasmon resonance}, issn = {0947-6539}, doi = {10.1002/chem.201400403}, author = {Yenchalwar, Sandeep G. and Devarapalli, Rami Reddy and Deshmukh, Ashvini B. and Shelke, Manjusha V.} } @article { ISI:000340975900071, title = {Poly (3,4-ethylenedioxythiophene) (PEDOT) and poly (3,4-ethylenedioxythiophene)-few walled carbon nanotube (PEDOT-FWCNT) nanocomposite based thin films for Schottky diode application}, journal = {Materials Chemistry and Physics}, volume = {147}, number = {3}, year = {2014}, month = {OCT}, pages = {867-877}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Transparent, conductive films of poly (3,4-ethylenedioxythiophene) (PEDOT) and poly (3,4-ethylenedioxythiophene)-few walled carbon nanotube (PEDOT-FWCNT) nanocomposite were synthesized by in-situ oxidative polymerization and investigated for their Schottky diode property. The prepared films were characterized by UV-Vis spectroscopy, thermal gravimetric analysis (TGA), surface resistivity, cyclic voltametery, scanning electron microscopy (SEM) and high resolution transmission electron microscopy (HRTEM). SEM reveals the formation of homogeneous and adhesive polymer films while HRTEM confirms the uniform wrapping of polymer chains around the nanotube walls for PEDOT-FWCNT film. Improved thermal stability, conductivity and charge storage property of PEDOT in the presence of FWCNT is observed. Among different compositions, 5 wt. \% of FWCNT is found to be optimum with sheet resistance and transmittance of 500 Omega sq(-1) and 77\%, respectively. Moreover, the electronic and junction properties of polymer films were studied and compared by fabricating sandwich type devices with a configuration of Al/PEDOT or PEDOT-FWCNT nanocomposite/indium tin oxide (ITO) coated glass. The measured current density-voltage characteristics show typical rectifying behavior for both configurations. However, enhanced rectification ratio and higher forward current density is observed in case of PEDOT-FWCNT based Schottky diode. Furthermore, reliability test depicts smaller hysteresis effect and better performance of PEDOT-FWCNT based diodes. (C) 2014 Elsevier B.V. All rights reserved.

}, keywords = {Composite materials, Electrical properties, Polymer, Thin films}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2014.06.032}, author = {Gupta, Bhavana and Mehta, Minisha and Melvin, Ambrose A. and Kamalakannan, R. and Dash, Sitaram and Kamruddin, M. and Tyagi, A. K.} } @article {46395, title = {Post-synthetically modified porous covalent framework (PCF) for high proton conduction}, journal = {Acta Crystallographica A-Foundation and Advances}, volume = {70}, year = {2014}, month = {MAY}, pages = {C1156}, type = {Meeting Abstract}, keywords = {Porous Covalent Framework, Post-synthetic Modification, proton conduction}, issn = {2053-2733}, author = {Samanta, Partha and Desai, Aamod and Anothumakkool, Bihag and Shirolkar, Mandar and Karmakar, Avishek and Kurungot, Sreekumar and Ghosh, Sujit} } @article { ISI:000345826100018, title = {Preferential growth of Au on CdSe quantum dots using langmuir-blodgett technique}, journal = {RSC Advances}, volume = {4}, number = {110}, year = {2014}, month = {NOV}, pages = {64535-64541}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Oleyl amine capped CdSe quantum dots (QD) were synthesised by hot injection technique. These QDs formed a self-assembled monolayer on an aqueous subphase of a Langmuir-Blodgett (LB) trough. Here, in this report we introduced a simple but very efficient route to form a metal (Au)-QD hybrid nanostructure via the LB technique. In this method, the metal counterpart of the hybrid nanostructure could be deposited exclusively on one side of the QDs. The formation of stable monolayer of QDs was evidenced from a surface pressure-area (P-A) isotherm. The development of gold tip was confirmed and monitored by detailed TEM study on the monolayer deposited on TEM grids from the LB trough. Other characterizations like UV-Vis spectroscopy, FTIR, XPS and EDX also suggested the same. Oleyl amine was shown to act both as a reducing agent as well as a capping agent in this strategy.

}, issn = {2046-2069}, doi = {10.1039/c4ra11715h}, author = {Das, Subhasis and Satpati, Biswarup and Chauhan, Himani and Deka, Sasanka and Gopinath, Chinnakonda S. and Bala, Tanushree} } @article { ISI:000334421100007, title = {Protein-coated polymer as a matrix for enzyme immobilization: immobilization of trypsin on bovine serum albumin-coated allyl glycidyl ether-ethylene glycol dimethacrylate copolymer}, journal = {Biotechnology Progress}, volume = {30}, number = {2}, year = {2014}, month = {MAR}, pages = {317-323}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Allyl glycidyl ether (AGE)-ethylene glycol dimethacrylate (EGDM) copolymer with 25\% crosslink density (AGE-25) shows excellent bovine serum albumin (BSA) adsorption (up to 16\% (w/w)) at pH 8.0 and the adsorbed BSA is strongly bound. This protein-coated polymer provides a novel matrix with naturally existing functional groups such as thiol, amino, and carboxylic acid that are available for covalent immobilization of functional enzymes. Employing appropriate strategies, trypsin as a model protein was covalently bound to BSA-coated matrix both independently, and in a stepwise manner on the same matrix, with less than 5\% loss of enzyme activity during immobilization. Glutaraldehyde crosslinking after immobilization provide stable enzyme preparation with activity of 510 units/g recycled up to six times without loss of enzyme activity. AFM studies reveal that the polymer surface has protein peaks and valleys rather than a uniform monolayer distribution of the protein and the immobilized enzyme preparation can best be described as polymer supported cross-linked enzyme aggregates (CLEAs). (c) 2014 American Institute of Chemical Engineers Biotechnol. Prog., 30:317-323, 2014

}, keywords = {allyl glycidyl ether, Bovine serum albumin, ethylene glycol dimethacrylate, Immobilization, Trypsin}, issn = {8756-7938}, doi = {10.1002/btpr.1871}, author = {Jasti, Lakshmi Swarnalatha and Dola, Sandhya Rani and Kumaraguru, Thenkrishnan and Bajja, Sreedhar and Fadnavis, Nitin W. and Addepally, Uma and Rajdeo, Kishor and Ponrathnam, Surendra and Deokar, Sarika Babasaheb} } @article {43330, title = {Proteomic analysis of human plasma in chronic rheumatic mitral stenosis reveals proteins involved in the complement and coagulation cascade}, journal = {Clinical Proteomics}, volume = {11}, year = {2014}, month = {SEP}, pages = {Article Number: 35}, abstract = {Background: Rheumatic fever in childhood is the most common cause of Mitral Stenosis in developing countries. The disease is characterized by damaged and deformed mitral valves predisposing them to scarring and narrowing (stenosis) that results in left atrial hypertrophy followed by heart failure. Presently, echocardiography is the main imaging technique used to diagnose Mitral Stenosis. Despite the high prevalence and increased morbidity, no biochemical indicators are available for prediction, diagnosis and management of the disease. Adopting a proteomic approach to study Rheumatic Mitral Stenosis may therefore throw some light in this direction. In our study, we undertook plasma proteomics of human subjects suffering from Rheumatic Mitral Stenosis (n = 6) and Control subjects (n = 6). Six plasma samples, three each from the control and patient groups were pooled and subjected to low abundance protein enrichment. Pooled plasma samples (crude and equalized) were then subjected to in-solution trypsin digestion separately. Digests were analyzed using nano LC-MSE. Data was acquired with the Protein Lynx Global Server v2.5.2 software and searches made against reviewed Homo sapiens database (UniProtKB) for protein identification. Label-free protein quantification was performed in crude plasma only. }, doi = {10.1186/1559-0275-11-35}, author = {Mukherjee, Somaditya and Jagadeeshaprasad, Mashanipalya G. and Banerjee, Tanima and Ghosh, Sudip K. and Biswas, Monodeep and Dutta, Santanu and Kulkarni, Mahesh J. and Pattari, Sanjib and Bandyopadhyay, Arun} } @article { ISI:000339880300021, title = {Proteomics of arsenic stress in the gram-positive organism Exiguobacterium sp PS NCIM 5463}, journal = {Applied Microbiology and Biotechnology}, volume = {98}, number = {15}, year = {2014}, month = {AUG}, pages = {6761-6773}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

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

}, keywords = {Arsenic, Exiguobacterium, proteomics, Stress, Transcriptomics}, issn = {0175-7598}, doi = {10.1007/s00253-014-5873-6}, author = {Sacheti, Poonam and Patil, Rajendra and Dube, Ankita and Bhonsle, Hemangi S. and Thombre, Dipalee and Marathe, Sayali and Vidhate, Ravindra and Wagh, Priyanka and Kulkarni, Mahesh J. and Rapole, Srikanth and Gade, Wasudeo N.} } @article { ISI:000345843700030, title = {Pt States in BaCe0.98Pt0.02O3-delta during start up and shut down operations under different conditions: stability and activity of ionic Pt in water gas shift reaction}, journal = {Catalysis Letters}, volume = {144}, number = {12}, year = {2014}, month = {DEC}, pages = {2227-2232}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Stability of Pt species in doped BaCeO3 perovskites under Water gas shift reaction conditions is studied using X-ray absorption spectroscopy and in situ powder X-ray diffraction. The catalyst BaCe0.98Pt0.02O3-delta has Pt in +2 oxidation state and is found to be stable in the ionic form under reaction conditions as well as under various highly reducing shut down and start up conditions. In-situ XRD under Water Gas shift reaction conditions also reveals the Pt ions to be highly stabilized in lattice and no egress is observed.

}, keywords = {BaCeO3, Deactivation, platinum, WGS reaction, XPS}, issn = {1011-372X}, doi = {10.1007/s10562-014-1378-2}, author = {Rajesh, Thattarathody and Devi, R. Nandini} } @article { ISI:000340514500021, title = {Quantum dot-decorated silicon nanowires as efficient photoelectrodes for photoelectrochemical hydrogen generation}, journal = {Journal of Materials Chemistry A}, volume = {2}, number = {33}, year = {2014}, month = {SEP}, pages = {13352-13358}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Quantum dot-decorated wide band gap semiconductors, such as TiO2, ZnO, SnO2, etc., which have electron mobilities of less than 200 cm(2) V-1 S-1 have been well studied as the photoelectrodes for photovoltaics and photoelectrochemical water splitting. Herein, we report CdSe quantum dot decorated-silicon nanowires (SiNWs) as photoelectrodes for photoelectrochemical water splitting. SiNWs have a comparatively higher electron mobility than metal oxides. A photocurrent density of around 6.1 mA cm(-2) was obtained for the CdSe/SiNWs photoelectrode, which is nearly five times higher than that for SiNWs alone and which also shows a good transient photocurrent response. The band energy level alignment was also studied between Si and CdSe by observing the corresponding flat band potentials from a Mott-Schottky analysis.

}, issn = {2050-7488}, doi = {10.1039/c4ta02775b}, author = {Devarapalli, Rami Reddy and Kamaja, Chaitanya Krishna and Shelke, Manjusha V.} } @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:000344439400007, title = {Regioselective acylation of 2-methoxy naphthalene catalyzed by supported 12-phosphotungstic acid}, journal = {Applied Catalysis A-General}, volume = {486}, year = {2014}, month = {SEP}, pages = {55-61}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

12-Phosphotungstic acid supported on silica gel, zirconium sulfate, and a combination of silica gel and zirconium sulfate (50\% w/w) were employed as solid acid catalysts for regioselective acylation of 2-methoxynaphtalene with acetic anhydride. 1-(6-Methoxynaphthalen-2-yl)ethanone (2,6-AMN), a commercially important intermediate for production of Naproxen, was obtained with excellent selectivity (\>98\%) at 67-68\% conversion using 12-phosphotungstic acid supported on silica gel 20\% (w/w) in refluxing tetrachloroethane. The unreacted starting material can be easily separated from the product by a simple crystallization from nonane. (C) 2014 Elsevier B.V. All rights reserved.

}, keywords = {Acylation, Naproxen, Phosphotungstic acid, Silica gel, Supported, Zirconium sulfate}, issn = {0926-860X}, doi = {10.1016/j.apcata.2014.08.026}, author = {Kumaraguru, Thenkrishnan and Devi, Ayala Vedamayee and Siddaiah, Vidavalur and Rajdeo, Kishor and Fadnavis, Nitin W.} } @article {46363, title = {Relativistic equation-of-motion coupled-cluster method: application to closed-shell atomic systems}, journal = {Physical Review Applied}, volume = {89}, year = {2014}, month = {APR }, pages = {042510}, type = {Article}, abstract = {

We report our successful implementation of the relativistic equation-of-motion coupled-cluster (EOMCC) method. This method is employed to compute the principal ionization potentials (IPs) of closed-shell rare-gas atoms, He-like ions, Be-like ions, along with Na+, Al+, K+, Be, andMg. Four-component Dirac spinors are used in the calculations, and the one-and two-electron integrals are evaluated using the Dirac-Coulomb Hamiltonian. Our results are in excellent agreement with available measurements, which are taken from the National Institute of Science and Technology database. The accuracies of the calculations are estimated to be within one half of a percent for He-like and Be-like ions and 1\% for the heavier systems. We also present results using the second-order many-body perturbation theory and random-phase approximation in the EOMCC framework. These results are compared with those of EOMCC at the level of single and double excitations in order to assess the role of the electron correlation effects in the intermediate schemes considered in our calculations.

}, issn = {2469-9926}, doi = {10.1103/PhysRevA.89.042510}, author = {Pathak, Himadri and Sahoo, B. K. and Das, B. P. and Vaval, Nayana and Pal, Sourav} } @article {42640, title = {Relativistic equation-of-motion coupled-cluster method for the double-ionization potentials of closed-shell atoms}, journal = {Physical Review A}, volume = {90}, year = {2014}, month = {JUL}, pages = {Article No. 010501}, doi = {10.1103/PhysRevA.90.010501}, author = {Pathak, Himadri and Ghosh, Aryya and Sahoo, B. K. and Das, B. P. and Vaval, Nayana and Pal, Sourav} } @article { ISI:000341976100014, title = {Relativistic spectroscopy of plasma-embedded Li-like systems with screening effects in two-body Debye potentials}, journal = {Journal of Physics B-Atomic Molecular and Optical Physics}, volume = {47}, number = {17}, year = {2014}, month = {SEP}, pages = {175701}, publisher = {IOP PUBLISHING LTD}, address = {TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND}, abstract = {

The spectroscopic properties of Li atoms and Li-like Ca and Ti ions in the plasma environment are investigated using a relativistic coupled-cluster (RCC) method. Assuming that the plasma is of low density and very hot, we consider the Debye model with two approximations to account for the screening effects: (i) in the nuclear potential alone and (ii) in both the nuclear and the electron-electron interaction potentials. Also, calculations for the energies and the lifetimes of the atomic states are carried out for plasma-free systems to check their accuracy, after which they are investigated in the plasma environment. It is observed that screenings in the electron-electron interaction potentials stabilize the systems more than when the screenings are present only in the nuclear potential. Similarly, the blue and red shifts in the Delta n = 0 and Delta n not equal 0 transition lines (with the principal quantum number n) of the Li-like ions observed in the (i) approximation are altered in the (ii) approximation. The level crossings among the energy levels are observed for large screening effects and are found to be prominent in the states of higher orbital angular momentum. The lifetimes of many low-lying states of the allowed transitions are estimated by considering different plasma screening strengths.

}, keywords = {atomic Spectroscopy, Debye model, relativistic method}, issn = {0953-4075}, doi = {10.1088/0953-4075/47/17/175701}, author = {Das, Madhulita and Sahoo, B. K. and Pal, Sourav} } @article { ISI:000339661100021, title = {Remote trap passivation in colloidal quantum dot bulk nano-heterojunctions and its effect in solution-processed solar cells}, journal = {Advanced Materials}, volume = {26}, number = {27}, year = {2014}, month = {JUL}, pages = {4741+}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

More-efficient charge collection and suppressed trap recombination in colloidal quantum dot (CQD) solar cells is achieved by means of a bulk nano-heterojunction (BNH) structure, in which p-type and n-type materials are blended on the nanometer scale. The improved performance of the BNH devices, compared with that of bilayer devices, is displayed in higher photocurrents and higher open-circuit voltages (resulting from a trap passivation mechanism).

}, issn = {0935-9648}, doi = {10.1002/adma.201400297}, author = {Rath, Arup Kumar and Pelayo Garcia de Arquer, F. and Stavrinadis, Alexandros and Lasanta, Tania and Bernechea, Maria and Diedenhofen, Silke L. and Konstantatos, Gerasimos} } @article { ISI:000347498500067, title = {Resistance to ionic pt insertion in oxygen excess LaMnO3 perovskite lattices and its effect in water gas shift reaction}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {395}, year = {2014}, month = {DEC}, pages = {534-542}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Pt doped and impregnated LaMnO3 perovskites are synthesized at different temperatures and Pt and Mn states are compared in an attempt to get insight into extent of lattice incorporation of Pt in perovskite. Various characterization studies indicate that oxygen excess system like LaMnO3 presents substantial resistance to B site doping with Pt. This behavior is different from other oxygen deficient perovskites like LaCoO3 and LaFeO3 in which lattice incorporation stabilizes the active species against sintering. Water gas shift reaction was used as a probe reaction to understand the effect of this difference in the activity. In case of LaMnO3, failure in lattice substitution leads to sintering and deactivation at high synthesis temperatures (\>= 700 degrees C) in both impregnated and doped samples. In doped samples, however, a strong interaction of Pt species with a persistent amorphous phase prevents sintering at lower synthesis temperature thereby enhancing the activity when compared to impregnated sample. The study reveals a possible mechanism in which only Pt(0) species is active with perovskite playing a minimal role in this system due to the resistance to lattice incorporation. (C) 2014 Elsevier B.V. All rights reserved.

}, keywords = {Oxygen excess, Perovskites, Water gas shift reaction, XPS, XRD}, issn = {1381-1169}, doi = {10.1016/j.molcata.2014.08.042}, author = {Rajesh, Thattarathody and Devi, R. Nandini} } @article { ISI:000342883100029, title = {Rhodococcus enclensis sp nov., a novel member of the genus rhodococcus}, journal = {International Journal of Systematic and Evolutionary Microbiology}, volume = {64}, number = {8}, year = {2014}, month = {AUG}, pages = {2693-2699}, publisher = {SOC GENERAL MICROBIOLOGY}, address = {MARLBOROUGH HOUSE, BASINGSTOKE RD, SPENCERS WOODS, READING RG7 1AG, BERKS, ENGLAND}, abstract = {

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

}, issn = {1466-5026}, doi = {10.1099/ijs.0.061390-0}, author = {Dastager, Syed Gulam and Mawlankar, Rahul R. and Tang, Shan-Kun and Krishnamurthi, Srinivasan and Ramana, V. Venkata and Joseph, Neeta and Shouche, Yogesh S.} } @article { ISI:000341619500016, title = {Role of oxygen vacancies in water gas shift reaction: activity study on BaCe0.98-xYxPt0.02O3-delta perovskites}, journal = {Journal of Physical Chemistry C}, volume = {118}, number = {36}, year = {2014}, month = {SEP}, pages = {20867-20874}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Oxygen vacancies are suggested to play an important role in reactions like water gas shift where the redox mechanism is crucial. Pt-doped BaCeO3 perovskite, moderately active for water gas shift reaction, is selected for further understanding the role of oxygen vacancies, since perovskite lattice can tolerate and stabilize vacancies facilitating an accurate quantification. Vacancies are created in the system by systematic doping of increasing amounts of Y. Structure and activity studies reveal that the 6\% Y-substituted compound which has the most symmetric B site coordination environment exhibits the highest activity. Hence, it is not the extent of vacancies but their structural characteristics which are found to be decisive. Symmetric coordination around B ions facilitates water adsorption and dissociation by lowering the energy barriers due to the creation of an isotropic environment.

}, issn = {1932-7447}, doi = {10.1021/jp503922x}, author = {Rajesh, Thattarathody and Devi, R. Nandini} } @article { ISI:000330953700014, title = {Roseovarius azorensis sp nov., isolated from seawater at espalamaca, azores}, journal = {Antonie van Leeuwenhoek International Journal of General and Molecular Microbiology}, volume = {105}, number = {3}, year = {2014}, month = {MAR}, pages = {571-578}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

A Gram-negative, motile, non-spore forming, rod shaped aerobic bacterium, designated strain SSW084(T), was isolated from a surface seawater sample collected at Espalamaca (38A degrees 33{\textquoteright}N; 28A degrees 39{\textquoteright}W), Azores. Growth was found to occur from 15 to 40 A degrees C (optimum 30 A degrees C), at pH 7.0-9.0 (optimum pH 7.0) and with 25-100 \% seawater or 0.5-7.0 \% NaCl in the presence of Mg2+ and Ca2+; no growth was found with NaCl alone. Colonies on seawater nutrient agar were observed to be punctiform, white, convex, circular, smooth, and translucent. Strain SSW084(T) did not grow on Zobell marine agar and tryptic soy agar even when seawater supplemented. The major respiratory quinone was found to be Q-10 and the G + C content was determined to be 61.9 mol\%. Phylogenetic analysis based on the 16S rRNA gene sequence indicated that strain SSW084(T) belongs to the genus Roseovarius and that its closest neighbours are Roseovarius tolerans EL-172(T), Roseovarius mucosus DFL-24(T) and Roseovarius lutimaris 112(T) with 95.7, 95.4 and 95.3 \% sequence similarity respectively. The remaining species of Roseovarius showed \< 95 \% similarity. The polar lipids of strain SSW084(T) were determined to be phosphatidylethanolamine, diphosphatidylglycerol, phosphatidylglycerol, phosphatidylcholine, an unidentified lipid and one unidentified aminolipid. The major fatty acids identified were identified as C-18:1 omega 7c (52.5 \%) and C-16:0 (13.8 \%). On the basis of phenotypic, molecular and chemotaxonomic characteristics, strain SSW084(T) is considered to represent a novel species of the genus Roseovarius, for which Roseovarius azorensis sp. nov is proposed. The type strain is SSW084(T) (=KCTC 32421(T) = MTCC 11812(T)).

}, keywords = {Espalamaca, Polyphasic taxonomy, Roseovarius azorensis sp nov, Seawater}, issn = {0003-6072}, doi = {10.1007/s10482-013-0109-9}, author = {Rajasabapathy, Raju and Mohandass, Chellandi and Dastager, Syed Gulam and Liu, Qing and Thi-Nhan Khieu and Chu Ky Son and Li, Wen-Jun and Colaco, Ana} } @article { ISI: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:000340208400016, title = {Silica and zirconia supported tungsten, molybdenum and gallium oxide catalysts for the synthesis of furfural}, journal = {Catalysis Science \& Technology}, volume = {4}, number = {9}, year = {2014}, month = {JUN}, pages = {2904-2907}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

SiO2 and ZrO2 supported W, Mo and Ga oxide catalysts were prepared by a sol-gel and wet-impregnation method. The 10 wt\% WO3/SiO2 (sol-gel) catalyst showed 61 +/- 2\% furfural yield from hemicellulose in a one-pot fashion for at least 8 cycles. Based on XRD, TPD and Hammett acidity characterizations, the catalyst structure-activity correlation was drawn.

}, issn = {2044-4753}, doi = {10.1039/c4cy00530a}, author = {Bhaumik, Prasenjit and Kane, Tanushree and Dhepe, Paresh Laxmikant} } @article { ISI:000341004800003, title = {Simple, economical, and environmentally benign protocol for the synthesis of 2-amino-3,5-dicarbonitrile-6-sulfanylpyridines at ambient temperature}, journal = {Green Chemistry Letters and Reviews}, volume = {7}, number = {3}, year = {2014}, month = {JUN}, pages = {228-235}, publisher = {TAYLOR \& FRANCIS LTD}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {

A simple, economical, and environmentally benign protocol has been described for one-pot synthesis of medicinally privileged 2-amino-3,5-dicarbonitrile-6-sulfanylpyridines by three-component condensation between aldehyde, malononitrile, and thiol using diethylamine as a catalyst. Ambient temperature and avoidance of conventional work-up as well as purification procedure qualify this cost-effective protocol for {\textquoteleft}{\textquoteleft}green synthesis.{\textquoteright}{\textquoteright}

}, keywords = {5-dicarbonitriles, diethylamine, green chemistry, multicomponent reactions, organocatalyst, pyridine-3}, issn = {1751-8253}, doi = {10.1080/17518253.2014.925144}, author = {Desai, Uday V. and Kulkarni, Makarand A. and Pandit, Kapil S. and Kulkarni, Aparna M. and Wadgaonkar, Prakash P.} } @article { ISI:000346266000076, title = {Single-layer MoSe2 based NH3 gas sensor}, journal = {Applied Physics Letters}, volume = {105}, number = {23}, year = {2014}, month = {DEC}, pages = {233103}, publisher = {AMER INST PHYSICS}, address = {1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA}, abstract = {

High performance chemical sensor is highly desirable to detect traces of toxic gas molecules. Two dimensional (2D) transition metal dichalcogenides (TMDC) semiconducting materials has attracted as high performance gas sensor device applications due to unique properties such as high surface to volume ratio. Here, we describe the utilization of single-layer MoSe2 as high-performance room temperature NH3 gas sensors. Our single-layer MoSe2 based gas sensor device shows comprehensible detection of NH3 gas down to 50 ppm. We also confirmed gas sensing measurement by recording the Raman spectra before and after exposing the device to NH3 gas, which subsequently shows the shift due to charger transfer and analyte gas molecule adsorption on surface of single-layer MoSe2 nanosheet. Our investigations show the potential use of single-layer and few layer thick MoSe2 and other TMDC as high-performance gas sensors. (C) 2014 AIP Publishing LLC.

}, issn = {0003-6951}, doi = {10.1063/1.4903358}, author = {Late, Dattatray J. and Doneux, Thomas and Bougouma, Moussa} } @article { ISI:000346321700065, title = {Size quantization effects on interfacial electron transfer dynamics in Ru(II)-polypyridyl complex sensitized ZnO QDs}, journal = {Journal of Physical Chemistry C}, volume = {118}, number = {49}, year = {2014}, month = {DEC}, pages = {28898-28905}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Quantum-size confinement in semiconductor material offers size based tunability of interband gap energy as well as intraband sublevels. In this work, size quantization of wide bandgap ZnO quantum dots has been explored in the study of interfacial charge separation reaction using a catechol functionalized Ru(II)polypyridyl complex as a photosensitizer molecule. Femtosecond time-resolved transient absorption studies have revealed multiple electron injection events based on discrete conduction band states of ZnO QDs. The electron injection rates have been rationalized for quantum confinement effects owing to different sizes of ZnO QDs. Furthermore, the size dependency of the intrinsic lifetime of electrons injected into discrete energy levels of ZnO QDs has been revealed in charge recombination reaction with the Ru(III)polypyridyl complex cation. The charge recombination dynamics reveals a competing trend of carrier confinement and carrier leak upon reducing particle size. This study shows the optimization of finite size effects in achieving better interfacial charge separation at the dye/semiconductor interface.

}, issn = {1932-7447}, doi = {10.1021/jp5101158}, author = {Verma, Sandeep and Das, Amitava and Ghosh, Hirendra N.} } @article { ISI:000332485000001, title = {Solid acid catalyzed depolymerization of lignin into value added aromatic monomers}, journal = {RSC Advances}, volume = {4}, number = {25}, year = {2014}, month = {FEB}, pages = {12625-12629}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Depolymerization of lignin to produce value-added aromatic monomers has attracted a lot of attention since these monomers can potentially be used as fuel additives (octane enhancers) and in turn can improve the prospects of cellulosic ethanol technology to become economically feasible. Here we show that solid acid catalysts could efficiently convert lignin into value added aromatic monomers with 60\% yields and ca. 95\% mass balance when depolymerization reactions were carried out at 250 degrees C for 30-120 minutes. We found that the reaction parameters have a remarkable effect on improving the yields.

}, issn = {2046-2069}, doi = {10.1039/c3ra47818a}, author = {Deepa, Ayillath K. and Dhepe, Paresh Laxmikant} } @article { ISI:000337551800010, title = {Solid base supported metal catalysts for the oxidation and hydrogenation of sugars}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {388}, number = {SI}, year = {2014}, month = {JUL}, pages = {90-99}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {Hydrogenation, Oxidation, Solid base, Sugars, Supported metal catalysts}, issn = {1381-1169}, doi = {10.1016/j.molcata.2013.09.014}, author = {Tathod, Anup and Kane, Tanushree and Sanil, E. S. and Dhepe, Paresh Laxmikant} } @article { ISI:000334895800021, title = {Solid, double-metal cyanide catalysts for synthesis of hyperbranched polyesters and aliphatic polycarbonates}, journal = {Journal of Chemical Sciences}, volume = {126}, number = {2, SI}, year = {2014}, note = {21st National Symposium on Catalysis (CATSYMP), CSIR Indian Inst Chem Technol, Hyderabad, INDIA, FEB 11-13, 2013}, month = {MAR}, pages = {499-509}, publisher = {Catalysis Soc India}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

Fe-Zn and Co-Zn double-metal cyanide (DMC) complexes exhibit highly efficient and selective catalytic activity for synthesis of hyperbranched polyesters (glycerol succinic acid (G-SA) and glycerol adipic acid (G-AA)) and aliphatic polycarbonates (via., alternative co-polymerization of cyclohexene oxide and CO2), respectively. The influence of method of preparation of DMC, in particular the mode of addition of reagents, on its physicochemical and catalytic properties was investigated. Co-Zn DMC was found highly selective for polycarbonate (than polyethers) formation. Catalysts prepared using tert-butanol and PEG-4000 as complexing and co-complexing agents, respectively, were found superior to those prepared without these agents. Apart from its role as a coordinating ligand, tert-butanol activated the Lewis acidic Zn2+ sites for reactions in polyester and polycarbonate formation. Hydrophobicity, micro-mesoporosity, acid strength and the amount of coordinated complexing agent are some of the crucial factors influenced the catalytic activity of DMC complexes.

}, keywords = {aliphatic polycarbonate, CO2 utilization, Double-metal cyanide complex, heterogeneous catalysis, hyperbranched polyester}, issn = {0974-3626}, author = {Sebastian, Joby and Darbha, Srinivas} } @article { ISI:000344244700034, title = {Specific probe for Hg2+ to delineate even H+ in pure aqueous buffer/Hct116 colon cancer cells: Hg(II)-eta(2)-arene pi-interaction and a TBET-based fluorescence response}, journal = {Chemical Communications}, volume = {50}, number = {92}, year = {2014}, month = {SEP}, pages = {14421-14424}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

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

}, issn = {1359-7345}, doi = {10.1039/c4cc06740a}, author = {Reddy, Upendar G. and Ramu, Vadde and Roy, Sovan and Taye, Nandaraj and Chattopadhyay, Samit and Das, Amitava} } @article { ISI:000348532300001, title = {Spontaneous jamming and unjamming in a hopper with multiple exit orifices}, journal = {Physical Review E}, volume = {90}, number = {2}, year = {2014}, month = {AUG}, pages = {020201}, publisher = {AMER PHYSICAL SOC}, address = {ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA}, abstract = {

We show that the flow of granular material inside a two-dimensional flat bottomed hopper is altered significantly by having more than one exit orifice. For hoppers with small orifice widths, intermittent flow through one orifice enables the resumption of flow through the adjacent jammed orifice, thus displaying a sequence of jamming and unjamming events. Using discrete element simulations, we show that the total amount of granular material (i.e., avalanche size) emanating from all the orifices combined can be enhanced by about an order of magnitude difference by simply adjusting the interorifice distance. The unjamming is driven primarily by fluctuations alone when the interorifice distance is large, but when the orifices are brought close enough, the fluctuations along with the mean flow cause the flow to unjam.

}, issn = {1539-3755}, doi = {10.1103/PhysRevE.90.020201}, author = {Kunte, Amit and Doshi, Pankaj and Orpe, Ashish V.} } @article { ISI:000331861500013, title = {Structure and dynamics of benzyl-NX3 (X = Me, Et) trifluoromethanesulfonate ionic liquids}, journal = {Journal of Physical Chemistry B}, volume = {118}, number = {7}, year = {2014}, month = {FEB}, pages = {1831-1838}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Ammonium-based benzyl-NX3 (X = methyl, ethyl) trifluoromethanesulfonate (TFA) ionic liquids (ILs) are low cost, nontoxic, thermally stable ion-conducting electrolytes in fuel cells and batteries. In the present study, we have characterized the structure and dynamics of these ILs using molecular dynamics (MD) simulations and ionic conductivity using electro-chemical impedance spectroscopy (EIS) at varying temperature and relative humidity (RH). Results from MD simulations predict that cation-cation and cation-anion interactions are stronger in benzyltrimethylammonium (BzTMA) compared to benzyltriethylammonium (BzTEA) that diminish with increase in RH. Further, the BzTMA cations show both C-H/Ph (center of mass of phenyl ring) and cation-Ph interactions whereas BzTEA cations show only strong cation-Ph interactions. The C-H/Ph interactions (psi \>= 90 degrees, d(H-Ph) \<= 4 angstrom, theta \< 50 degrees and d(C.Ph) \<= 4.3 angstrom) in BzTMA cations increase with RH and are highest at RH = 90\%. The cumulative impact of electrostatic, cation/Ph, and C-H/Ph interactions results in lower conductivity of BzTMA-TFA IL compared to BzTEA-TFA IL. The EIS measurements show that the trends in ionic conductivity of ILs at RH = 30 and 90\% are qualitatively similar to the Nernst-Einstein conductivity from MD simulations. The ionic conductivity of BzTEA-TFA IL is similar to 3 times higher than BzTMA-TFA IL at 353 K and RH = 90\%.

}, issn = {1520-6106}, doi = {10.1021/jp410487a}, author = {Sunda, Anurag Prakash and Dhavale, Vishal M. and Kurungot, Sreekumar and Venkatnathan, Arun} } @article { ISI:000332188200009, title = {Structure, stability, and properties of the trans peroxo nitrate radical: the importance of nondynamic correlation}, journal = {Journal of Physical Chemistry A}, volume = {118}, number = {8}, year = {2014}, month = {FEB}, pages = {1350-1362}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

We report a comparative single-reference and multireference coupled-cluster investigation on the structure, potential energy surface, and IR spectroscopic properties of the trans peroxo nitrate radical, one of the key intermediates in stratospheric NOx chemistry. The previous single-reference ab initio studies predicted an unbound structure for the trans peroxo nitrate radical. However, our Fock space multireference coupled-cluster calculation confirms a bound structure for the trans peroxo nitrate radical, in accordance with the experimental results reported earlier. Further, the analysis of the potential energy surface in FSMRCC method indicates a well-behaved minima, contrary to the shallow minima predicted by the single-reference coupled-cluster method. The harmonic force field analysis, of various possible isomers of peroxo nitrate also reveals that only the trans structure leads to the experimentally observed IR peak at 1840 cm(-1). The present study highlights the critical importance of nondynamic correlation in predicting the structure and properties of high-energy stratospheric NOx radicals.

}, issn = {1089-5639}, doi = {10.1021/jp409218c}, author = {Dutta, Achintya Kumar and Dar, Manzoor and Vaval, Nayana and Pal, Sourav} } @article { ISI:000340538400005, title = {Subtilase from Beauveria sp.: conformational and functional investigation of unusual stability}, journal = {European Biophysics Journal With Biophysics Letters}, volume = {43}, number = {8-9}, year = {2014}, month = {SEP}, pages = {393-403}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Retention of total activity of the subtilisin-like serine protease from Beauveria sp. MTCC 5184 (Bprot) in the vicinity of (1) 3 M GdnHCl for 12 h, (2) 50 \% methanol and dimethyl sulfoxide each for 24 h, and (3) proteolytic enzymes (trypsin, chymotrypsin, and proteinase K) for 48 h led to expect the enzyme to be a kinetically stable protein. Also, the structure of the protein was stable at pH 2.0. Biophysical characterization and conformational transitions were monitored using steady-state and time-resolved fluorescence, FTIR, and CD spectroscopy. Single tryptophan in the protein exists as two conformers, in hydrophobic and polar environment. The secondary structure of Bprot was stable in 3 M GdnHCl as seen in far-UV CD spectra. The active fraction of Bprot obtained from size-exclusion chromatography in the presence of GdnHCl (1.0-3.0 M) eluted at reduced retention time. The peak area of inactive or denatured protein with the same retention time as that of native protein increased with increasing concentration of denaturant (1.0-4.0 M GdnHCl). However, the kinetics of GdnHCl-induced unfolding as studied from intrinsic fluorescence revealed k (unf) of native protein to be 5.407 x 10(-5) s(-1) and a half-life of 3.56 h. The enzyme is thermodynamically stable in spite of being resistant to the denaturant, which could be due to the effect of GdnHCl imparting rigidity to the active fraction and simultaneously unfolding the partially unfolded protein that exists in equilibrium with the folded active protein. Thermal and pH denaturation of Bprot exhibited interesting structural transitions.

}, keywords = {Beauveria, Chemical denaturation, Conformational transitions, Serine protease, Subtilase, Thermal denaturation, Thermodynamic stability}, issn = {0175-7571}, doi = {10.1007/s00249-014-0971-z}, author = {Dalal, Sayli A. and More, Snehal V. and Shankar, Shiv and Laxman, Ryali Seeta and Gaikwad, Sushama M.} } @article { ISI:000332188100002, title = {Superior grafting and state-of-the-art interfacial electron transfer rates for newly designed geminal dicarboxylate bound ruthenium(II)- and osmium(II)-polypyridyl dyes on TiO2 nanosurface}, journal = {Journal of Physical Chemistry C}, volume = {118}, number = {8}, year = {2014}, month = {FEB}, pages = {3864-3877}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Two new Ru(II)-/Os(II)-polypyridyl based sensitizer dyes with geminal dicarboxylic acid group as the binding unit for superior grafting of the dye to TiO2 have been designed and synthesized. Steady-state photochemical studies of the two sensitizer dyes in presence of TiO2 in water confirm strong binding of the dyes to TiO2. Femtosecond transient absorption studies of these newly synthesized dyes on TiO2 nanosurface have been carried out in water and the results have been compared with those for the corresponding 4,4{\textquoteright}-dicarboxy-2,2{\textquoteright}-bipyridine analogues of the dyes. While the charge recombination rates are considerably slower, interestingly, the electron injection rates are very fast for multiple saturated C-C linkages present between the chromophoric core and the anchoring moiety. The origin and the consequences of such profound effects on the ultrafast interfacial dynamics are discussed. This is the first report on the ultrafast transient absorption studies of dyes with geminal dicarboxylic acid binding groups, which we believe will add significantly to the present research efforts toward the development of robust and efficient dyes for use in dye solar applications.

}, issn = {1932-7447}, doi = {10.1021/jp4077917}, author = {Banerjee, Tanmay and Biswas, Abul Kalam and Reddy, Upendar G. and Sahu, Tuhin Subhra and Das, Amitava and Ganguly, Bishwajit and Ghosh, Hirendra Nath} } @article { ISI:000341939000041, title = {Synthesis and electrochemical performance of a single walled carbon nanohorn-Fe3O4 nanocomposite supercapacitor electrode (vol 3, pg 21390, 2013)}, journal = {RSC Advances}, volume = {4}, number = {78}, year = {2014}, month = {SEP}, pages = {41483}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, issn = {2046-2069}, doi = {10.1039/c4ra90002b}, author = {Deshmukh, Ashvini B. and Shelke, Manjusha V.} } @article { ISI:000332351800006, title = {Synthesis and in situ observation of 3D super lattices of gold nanoparticles using oil-in-water emulsion}, journal = {Journal of Colloid and Interface Science}, volume = {420}, year = {2014}, month = {APR}, pages = {41-49}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

In this work oil-in-water emulsion has been successfully used as a confined environment to grow 3D superlattices of gold nanoparticles. The superlattices were grown from 5 nm uniform gold nanoparticles using slow destabilization method. The confined environment was created by forming a stable emulsion where the gold colloid suspended in toluene was used as oil phase. Superlattices were also formed in bulk solution using the same slow destabilization method. A comparative study reveals that compact superlattices form more readily inside the emulsion drops as compared to bulk precipitation. The unstable colloid (in bulk or as emulsion) was aged for various periods at 5 degrees C to form more compact superlattices. The best superlattices with sharp corners are observed when the superlattices are formed inside the emulsion and aged for a month. Two key parameters, the incubation temperature and anti-solvent concentration, are optimized to obtain larger superlattices with sharp features. A new method is also demonstrated for in situ observation of superlattice formation using an optical microscope. 2014 Elsevier Inc. All rights reserved.

}, keywords = {3D nanocrystal superlattices, In situ observation of superlattice formation, Monodisperse gold nanoparticles, Nanocrystal superlattices}, issn = {0021-9797}, doi = {10.1016/j.jcis.2013.12.060}, author = {Dutta, Ankur and Chakraborty, Jayanta and Bhagavatula L. V. Prasad and Sahu, Puspanjali} } @article { ISI:000343671700036, title = {Synthesis, characterization and in vitro study of biocompatible cinnamaldehyde functionalized magnetite nanoparticles (CPGF Nps) for hyperthermia and drug delivery applications in breast cancer}, journal = {Plos One}, volume = {9}, number = {9}, year = {2014}, month = {SEP}, pages = {e107315}, publisher = {PUBLIC LIBRARY SCIENCE}, address = {1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA}, abstract = {

Cinnamaldehyde, the bioactive component of the spice cinnamon, and its derivatives have been shown to possess anticancer activity against various cancer cell lines. However, its hydrophobic nature invites attention for efficient drug delivery systems that would enhance the bioavailability of cinnamaldehyde without affecting its bioactivity. Here, we report the synthesis of stable aqueous suspension of cinnamaldehyde tagged Fe3O4 nanoparticles capped with glycine and pluronic polymer (CPGF NPs) for their potential application in drug delivery and hyperthermia in breast cancer. The monodispersed superparamagnetic NPs had an average particulate size of similar to 20 nm. TGA data revealed the drug payload of similar to 18\%. Compared to the free cinnamaldehyde, CPGF NPs reduced the viability of breast cancer cell lines, MCF7 and MDAMB231, at lower doses of cinnamaldehyde suggesting its increased bioavailability and in turn its therapeutic efficacy in the cells. Interestingly, the NPs were non-toxic to the non-cancerous HEK293 and MCF10A cell lines compared to the free cinnamaldehyde. The novelty of CPGF nanoparticulate system was that it could induce cytotoxicity in both ER/PRpositive/Her2 negative (MCF7) and ER/PRnegative/Her2 negative (MDAMB231) breast cancer cells, the latter being insensitive to most of the chemotherapeutic drugs. The NPs decreased the growth of the breast cancer cells in a dose-dependent manner and altered their migration through reduction in MMP-2 expression. CPGF NPs also decreased the expression of VEGF, an important oncomarker of tumor angiogenesis. They induced apoptosis in breast cancer cells through loss of mitochondrial membrane potential and activation of caspase-3. Interestingly, upon exposure to the radiofrequency waves, the NPs heated up to 41.6 degrees C within 1 min, suggesting their promise as a magnetic hyperthermia agent. All these findings indicate that CPGF NPs prove to be potential nano-chemotherapeutic agents in breast cancer.

}, issn = {1932-6203}, doi = {10.1371/journal.pone.0107315}, author = {Wani, Kirtee D. and Kadu, Brijesh S. and Mansara, Prakash and Gupta, Preeti and Deore, Avinash V. and Chikate, Rajeev C. and Poddar, Pankaj and Dhole, Sanjay D. and Kaul-Ghanekar, Ruchika} } @article { ISI: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.} } @article { ISI:000339378200013, title = {Synthesis of 2,5-furandicarboxylic acid by the aerobic oxidation of 5-hydroxymethyl furfural over supported metal catalysts}, journal = {Reaction Kinetics Mechanisms and Catalysis}, volume = {112}, number = {1}, year = {2014}, month = {JUN}, pages = {173-187}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

Supported Pt catalysts are synthesized, characterized and are used in the liquid phase air oxidation of 5-hydroxymethylfurfural (HMF) to 2,5-furandicarboxylic acid (FDCA). Under the optimum reaction conditions of a stepwise increase in the reaction temperature (75 and 140 degrees C for 12 h each), we achieved as high as 96 \% FDCA yield in presence of 1 bar oxygen pressure over Pt/c-Al2O3. It is shown that as the oxygen pressure increases (1-10 bar), the FDCA yields decrease, since at higher partial pressure of oxygen, overoxidation reactions of substrate and product(s) are possible. It is interesting to note that even with air as an oxidant, we obtained similar yields of FDCA as that with oxygen. Moreover, the effects of base (weak or strong), its concentration (equimolar or excess) were studied in detail. It is important to increase the reaction temperature in a stepwise manner to achieve higher yields of FDCA since at higher temperatures HMF undergoes self-degradation and thus the yields of FDCA decrease. The self-degradation of HMF is also proved by undertaking the reaction under nitrogen environment. The study on the effect of substrate-to-catalyst ratio is done to improve up on the economics of overall process. The effect of supports (reducible and non-reducible) and their oxygen storage capacity is discussed and is proposed to be one of the factors to change the course of reaction. Furthermore, we have shown that FDCA formed in the reaction can be successfully isolated (91 \%, isolated yield) in the pure form and its purity is confirmed by NMR, melting point, and elemental analysis. The catalysts were characterized with X-ray powder diffraction, transmission electron microscopy and inductively coupled plasma-optical emission spectroscopy techniques.

}, keywords = {Biomass, FDCA, green chemistry, heterogeneous catalyst, HMF, Impregnation, Oxidation}, issn = {1878-5190}, doi = {10.1007/s11144-014-0689-z}, author = {Sahu, Ramakanta and Dhepe, Paresh Laxmikant} } @article { ISI:000341070100010, title = {Synthesis of chenopanone}, journal = {Indian Journal of Chemistry Section B-Organic Chemistry Including Medicinal Chemistry}, volume = {53}, number = {8}, year = {2014}, month = {AUG}, pages = {1140-1142}, publisher = {COUNCIL SCIENTIFIC \& INDUSTRIAL RES}, address = {ANUSANDHAN BHAWAN, 2 RAFI MARG, NEW DELHI, 110001, INDIA}, abstract = {

Starting from glyoxalic acid, a facile three step approach to chenopanone has been described utilizing the Barbier reaction as a key step.

}, keywords = {acid hydrolysis, Barbier reaction, chenopanone, condensation, Glyoxalic acid, isovaleraldehyde, synthesis}, issn = {0376-4699}, author = {Deore, Prashant S. and N. P. Argade} } @article { ISI:000340579200011, title = {Synthesis of fatty monoester lubricant base oil catalyzed by Fe-Zn double-metal cyanide complex}, journal = {Journal of Chemical Sciences}, volume = {126}, number = {4}, year = {2014}, month = {JUL}, pages = {997-1003}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

Fatty monoester lubricant base oils as high as 96.7 mol\% were prepared by reacting methyl oleate with long-chain alcohols viz., 2-ethyl-1-hexanol (C-8-OH), 1-decanol (C10OH) and 1-dodecanol (C12OH) in the presence of a solid Fe-Zn double-metal cyanide (DMC) complex catalyst. Unlike many other acid catalysts, DMC doesn{\textquoteright}t produce undesired ether side products. The catalyst was reusable in four recycling experiments with little loss in catalytic activity and ester yield. The long-chain esters prepared in the study have the desired physical properties for their application as lubricant base oils.

}, keywords = {Fatty monoester, Fe-Zn double-metal cyanide (DMC) catalyst, lubricant base oil, transesterification}, issn = {0974-3626}, author = {Raut, Ravindra K. and Shaikh, Mehejabeen and Darbha, Srinivas} } @article { ISI:000337521700009, title = {Thermal expansion, anharmonicity and temperature-dependent Raman spectra of single- and few-layer MoSe2 and WSe2}, journal = {ChemPhysChem}, volume = {15}, number = {8}, year = {2014}, month = {JUN}, pages = {1592-1598}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

We report the temperature-dependent Raman spectra of single-and few-layer MoSe2 and WSe2 in the range 77-700 K. We observed linear variation in the peak positions and widths of the bands arising from contributions of anharmonicity and thermal expansion. After characterization using atomic force microscopy and high-resolution transmission electron microscopy, the temperature coefficients of the Raman modes were determined. Interestingly, the temperature coefficient of the A(2u)(2) mode is larger than that of the A(1g) mode, the latter being much smaller than the corresponding temperature coefficients of the same mode in single-layer MoS2 and of the G band of graphene. The temperature coefficients of the two modes in single-layer MoSe2 are larger than those of the same modes in single-layer WSe2. We have estimated thermal expansion coefficients and temperature dependence of the vibrational frequencies of MoS2 and MoSe2 within a quasi-harmonic approximation, with inputs from first-principles calculations based on density functional theory. We show that the contrasting temperature dependence of the Raman-active mode A(1g) in MoS2 and MoSe2 arises essentially from the difference in their strainphonon coupling.

}, issn = {1439-4235}, doi = {10.1002/cphc.201400020}, author = {Late, Dattatray J. and Shirodkar, Sharmila N. and Waghmare, Umesh V. and Dravid, Vinayak P. and Rao, C. N. R.} } @article { ISI:000333776000055, title = {Thermodynamic and kinetic verification of tetra-n-butyl ammonium nitrate (TBANO(3)) as a promoter for the clathrate process applicable to precombustion carbon dioxide capture}, journal = {Environmental Science \& Technology}, volume = {48}, number = {6}, year = {2014}, month = {MAR}, pages = {3550-3558}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

In this study, tetra-n-butyl ammonium nitrate (TBANO(3)) is evaluated as a promoter for precombustion capture of CO2 via hydrate formation. New hydrate phase equilibrium data for fuel gas (CO2/H-2) mixture in presence of TBANO(3) of various concentrations of 0.5, 1.0, 2.0, 3.0, and 3.7 mol \% was determined and presented. Heat of hydrate dissociation was calculated using Clausius-Clapeyron equation and as the concentration of TBANO(3) increases, the heat of hydrate dissociation also increases. Kinetic performance of TBANO(3) as a promoter at different concentrations was evaluated at 6.0 MPa and 274.2 K. Based on induction time, gas uptake, separation factor, hydrate phase CO2 composition, and rate of hydrate growth, 1.0 mol \% TBANO(3) solution was found to be the optimum concentration at the experimental conditions of 6.0 MPa and 274.2 K for gas hydrate formation. A 93.0 mol \% CO2 rich stream can be produced with a gas uptake of 0.0132 mol of gas/mol of water after one stage of hydrate formation in the presence of 1.0 mol \% TBANO(3) solution. Solubility measurements and microscopic images of kinetic measurements provide further insights to understand the reason for 1.0 mol \% TBANO(3) to be the optimum concentration.

}, issn = {0013-936X}, doi = {10.1021/es4044819}, author = {Babu, Ponnivalavan and Yao, Minghuang and Datta, Stuti and Kumar, Rajnish and Linga, Praveen} } @article { ISI:000341938100024, title = {Total syntheses of D-allo-1-deoxynojirimycin and L-talo-1-deoxynojirimycin via reductive cyclization}, journal = {RSC Advances}, volume = {4}, number = {77}, year = {2014}, month = {AUG}, pages = {40852-40858}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Synthesis of a polyhydroxypiperidine framework for L-talo-1-deoxynojirimycin and D-allo-1-deoxynojirimycin was achieved from L-tartaric acid by employing flash dihydroxylation and reductive lactamisation as the key steps.

}, issn = {2046-2069}, doi = {10.1039/c4ra06884j}, author = {Chavan, Subhash P. and Dumare, Nilesh B. and Pawar, Kailash P.} } @article { ISI:000345455100014, title = {Towards efficient synthesis of sugar alcohols from mono- and poly-saccharides: role of metals, supports \& promoters}, journal = {Green Chemistry}, volume = {16}, number = {12}, year = {2014}, month = {AUG}, pages = {4944-4954}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

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

}, issn = {1463-9262}, doi = {10.1039/c4gc01264j}, author = {Tathod, Anup P. and Dhepe, Paresh Laxmikant} } @article { ISI:000345295000016, title = {Two-phase flow in metal monoliths: hydrodynamics and liquid-liquid extraction}, journal = {Canadian Journal of Chemical Engineering}, volume = {92}, number = {12}, year = {2014}, month = {DEC}, pages = {2166-2175}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

This work aims to explore the application of metal monoliths as a scale-up option for efficient liquid-liquid extraction. The pressure drop, mass transfer and residence time distribution are measured for low Ca (approximate to 10(-5)) with monoliths having three different cell densities. The cross-over section between two monoliths was seen to enhance mixing in the column. However, the RTD of two-phase liquid-liquid up-flow was inferior to the single phase RTD. For higher cell density substrates, the cross-over zones seem to cause trapping of slugs due to non-superimposing channel ends. Relatively high shear rates through the film of continuous phase helped enhance the mass transfer rates, thereby helping to achieve the desired extraction in a short column. The entrance sections and cross-over zones between the monoliths adversely affected the extraction for higher cell density monoliths. The analysis of data supports use of low cell density monolith for better performance and scale up.

}, keywords = {capillary, hydrodynamics, liquid-liquid extraction, monolith, slug flow}, issn = {0008-4034}, doi = {10.1002/cjce.22081}, author = {Deshpande, Jaydeep B. and Gosavi, Abha and Kulkarni, Amol A.} } @article { ISI:000337124900036, title = {Unusual morphologies of reduced graphene oxide and polyaniline nanofibers-reduced graphene oxide composites for high performance supercapacitor applications}, journal = {RSC Advances}, volume = {4}, number = {43}, year = {2014}, month = {APR}, pages = {22551-22560}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Herein, we have demonstrated the nanostructured rose flowers, sheets, rods and ferns of reduced graphene oxide by using oxalic acid as a reducing agent. The various morphologies of reduced graphene oxide were obtained by time dependent reduction of graphene oxide. The composites of reduced graphene oxide based polyaniline nanofibers, flower bouquet, and honeycombs were grown at a moderate temperature (60 degrees C) by in situ polymerization of aniline. The structural characterization of composites was performed by using X-ray diffraction, and the existence of reduced graphene oxide in different size, shape and thickness was confirmed by Raman spectroscopy and transmission electron microscopy study. The electrochemical study of reduced graphene oxides and their composites with polyaniline nanostructures was performed. The composite of honeycomb reduced graphene oxide-polyaniline nanofibers showed enhancement in the electrochemical performance (specific capacitance: 470 F g(-1)) compared to earlier reports. Such type of composites will be a potential contender for super capacitors.

}, issn = {2046-2069}, doi = {10.1039/c3ra47834c}, author = {Diggikar, Rahul S. and Late, Dattatray J. and Kale, Bharat B.} } @article { ISI:000334895800008, title = {Value addition to lignocellulosics and biomass-derived sugars: an insight into solid acid-based catalytic methods}, journal = {Journal of Chemical Sciences}, volume = {126}, number = {2, SI}, year = {2014}, note = {21st National Symposium on Catalysis (CATSYMP), CSIR Indian Inst Chem Technol, Hyderabad, INDIA, FEB 11-13, 2013}, month = {MAR}, pages = {373-385}, publisher = {Catalysis Soc India}, type = {Article, Proceedings Paper}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

For the synthesis of important platform chemicals such as sugars (xylose and arabinose) and furans (furfural and 5-hydroxymethylfurfural (HMF)) from carbohydrates (hemicellulose and fructose) solid acid catalysts are employed. Similarly, over solid acid catalysts, conversion of lignin into aromatic monomers is performed. It is observed that in the dehydration of fructose, because of higher hydrothermal stability, silicoaluminophosphate (SAPO) catalysts give better activity (78\% HMF yield) compared with other solid acid catalysts (\<63\% HMF yield) at 175 degrees C. Particularly, SAPO-44 catalyst can be reused at least 5 times with marginal decrease in the activity. Zeolite, BUSY (Si/Al = 15) is active in the conversion of isolated (pure) hemicellulose to produce 41\% C-5 sugars in water. The catalyst is also active in the selective conversion of hemicellulose from bagasse to yield 59\% C-5 sugars. It is possible to obtain high yields of furfural (54\%) directly from bagasse if instead of water, Water+toluene solvent system is used. Depolymerization of lignin using HUSY catalyst produced aromatic monomers with 60\% yield at 250 degrees C. A detailed catalyst characterization study is performed to understand the correlation between catalyst activity and morphology. To understand the effect of impurities present in the substrate over solid acid catalysts, metal-exchange study is carried out.

}, keywords = {aromatic monomers, Biomass, furans, Hemicellulose, lignin, solid acid catalyst}, issn = {0974-3626}, author = {Bhaumik, Prasenjit and Deepa, Ayillath K. and Kane, Tanushree and Dhepe, Paresh Laxmikant} } @article { ISI:000335773800005, title = {Vesicle structures from bolaamphiphilic biosurfactants: experimental and molecular dynamics simulation studies on the effect of unsaturation on sophorolipid self-assemblies}, journal = {Chemistry-A European Journal}, volume = {20}, number = {21}, year = {2014}, month = {MAY}, pages = {6246-6250}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

The formation of giant-vesicle-like structures by self-assembling linolenic acid sophorolipid (LNSL) molecules is revealed. Sophorolipids belong to the class of bolaamphiphilic glycolipid biosurfactants. Interestingly, the number of double bonds present in the hydrophobic core of sophorolipids is seen to have a great influence on the type of self-assembled structures formed. Dye encapsulation results establish the presence of an aqueous compartment inside the LNSL vesicles. Molecular dynamics simulation (MD) studies suggest the existence of two possible conformations of LNSLs inside the self-assembled structures and that LNSL molecules arrange in layered structures.

}, keywords = {bolaamphiphiles, MD simulations, Self-assembly, sophorolipids, vesicles}, issn = {0947-6539}, doi = {10.1002/chem.201304719}, author = {Dhasaiyan, Prabhu and Pandey, Prithvi Raj and Visaveliya, Nikunjkumar and Roy, Sudip and Bhagavatula L. V. Prasad} } @article {46366, title = {Water electrolysis with a conducting carbon cloth: subthreshold hydrogen generation and superthreshold carbon quantum dot formation}, journal = {ChemSusChem}, volume = {7}, year = {2014}, month = {MAR}, pages = {883-889}, type = {Article}, abstract = {

A conducting carbon cloth, which has an interesting turbostratic microstructure and functional groups that are distinctly different from other ordered forms of carbon, such as graphite, graphene, and carbon nanotubes, was synthesized by a simple one-step pyrolysis of cellulose fabric. This turbostratic disorder and surface chemical functionalities had interesting consequences for water splitting and hydrogen generation when such a cloth was used as an electrode in the alkaline electrolysis process. Importantly, this work also gives a new twist to carbon-assisted electrolysis. During electrolysis, the active sites in the carbon cloth allow slow oxidation of its surface to transform the surface groups from COH to COOH and so forth at a voltage as low as 0.2V in a two-electrode system, along with platinum as the cathode, instead of 1.23V (plus overpotential), which is required for platinum, steel, or even graphite anodes. The quantity of subthreshold hydrogen evolved was 24mLcm(-2)h(-1) at 1V. Interestingly, at a superthreshold potential (\>1.23V+overpotential), another remarkable phenomenon was found. At such voltages, along with the high rate and quantity of hydrogen evolution, rapid exfoliation of the tiny nanoscale (5-7nm) units of carbon quantum dots (CQDs) are found in copious amounts due to an enhanced oxidation rate. These CQDs show bright-blue fluorescence under UV light.

}, keywords = {Carbon, electrolysis, Hydrogen, photoluminescence, quantum dots}, issn = {1864-5631}, doi = {10.1002/cssc.201300827}, author = {Biswal, Mandakini and Deshpande, Aparna and Kelkar, Sarika and Ogale, Satishchandra} } @article { ISI:000355001000007, title = {3D Hetero-architecture of GdB6 nanoparticles on lessened cubic Cu2O nanowires: enhanced field emission behaviour}, journal = {CrystEngComm}, volume = {17}, number = {21}, year = {2015}, month = {MAR}, pages = {3936-3944}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The field emission properties (FE) of a heteroarchitecture comprised of gadolinium hexaboride nanoparticles uniformly decorated over Cu2O nanoneedles (GdB6/Cu2O) have been investigated at the base pressure of similar to 1 x 10(-8) mbar. Under the optimized pulsed laser deposition (PLD), a well-adhered coating of GdB6 nanoparticles on chemically synthesized cuprous oxide (Cu2O) nanoneedles has been obtained. A plausible growth mechanism of the hierarchical assembly of GdB6 nanoparticles on the Cu2O nanoneedles is explained on the basis of structural analysis carried out using SEM and TEM. A low turn-on field of similar to 2.3 V mu m(-1) (to draw an emission current density similar to 1 mu A cm(-2)) is observed along with stable emission current at the preset value of similar to 2 mu A over 4 h. The enhanced emission behaviour of the GdB6/Cu2O heteroarchitecture, in contrast to the pristine Cu2O nanoneedles, is attributed to its high aspect ratio and low work function. The observed FE results demonstrate GdB6/Cu2O heteroarchitecture as a potential candidate for application in various vacuum nano/microelectronic devices.

}, issn = {1466-8033}, doi = {10.1039/c4ce02530j}, author = {Suryawanshi, Sachin R. and Singh, Anil K. and Deo, Meenal S. and Late, Dattatray J. and Sinha, Sucharita and More, Mahendra A.} } @article { ISI:000348357400007, title = {Acid stability of the kinetically stable alkaline serine protease possessing polyproline II fold}, journal = {Protein Journal}, volume = {34}, number = {1}, year = {2015}, month = {FEB}, pages = {60-67}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

The kinetically stable alkaline serine protease from Nocardiopsis sp.; NprotI, possessing polyproline II fold (PPII) was characterized for its pH stability using proteolytic assay, fluorescence and Circular Dichroism (CD) spectroscopy, and Differential Scanning Calorimetry (DSC). NprotI was found to be functionally stable when incubated at pH 1.0, even after 24 h, while after incubation at pH 10.0, drastic loss in the activity was observed. The enzyme showed enhanced activity after incubation at pH 1.0 and 3.0, at higher temperature (50-60 A degrees C). NprotI maintained the overall PPII fold in broad pH range as seen using far UV CD spectroscopy. The PPII fold of NprotI incubated at pH 1.0 remained fairly intact up to 70 A degrees C. Based on the isodichroic point and T-m values revealed by secondary structural transitions, different modes of thermal denaturation at pH 1.0, 5.0 and 10.0 were observed. DSC studies of NprotI incubated at acidic pH (pH 1.0-5.0) showed T-m values in the range of 74-76 A degrees C while significant decrease in T-m (63.8 A degrees C) was observed at pH 10.0. NprotI could be chemically denatured at pH 5.0 (stability pH) only with guanidine thiocynate. NprotI can be classified as type III protein among the three acid denatured states. Acid tolerant and thermostable NprotI can serve as a potential candidate for biotechnological applications.

}, keywords = {Acid stability, DSC, Kinetic stability, Polyproline fold, Protease, Thermal unfolding}, issn = {1572-3887}, doi = {10.1007/s10930-014-9597-3}, author = {Rohamare, Sonali and Javdekar, Vaishali and Dalal, Sayli A. and Nareddy, Pavan Kumar and Swamy, Musti J. and Gaikwad, Sushama M.} } @article { ISI:000354505100017, title = {Activation by pretreatment of Ag-Au/Al2O3 bimetallic catalyst to improve low temperature HC-SCR of NOx for lean burn engine exhaust}, journal = {Applied Catalysis B-Environmental}, volume = {174}, year = {2015}, month = {SEP}, pages = {145-156}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Bimetallic Ag-Au/Al2O3 catalyst was synthesised by successive impregnation of 1\% Au and 1\% Ag on in-house prepared high surface area alumina (450 m(2)/g). The corresponding monometallic catalysts were also prepared by loading 1\% Ag or 1\% Au on the same high surface area alumina for comparison. The catalysts were characterised by various physico-chemical techniques and tested for SCR activity under lean burn engine exhaust conditions. Ag-Au/Al2O3 catalyst prepared by successive impregnation method showed considerably higher NO reduction (100\%) to N-2 compared to 1\% Au/Al2O3 (70\%) whereas the activity was comparable with that of 1\% Ag/Al2O3 (96\%). The effect of various pretreatments on SCR activity of Ag-Au/Al2O3 was studied and pretreatment at 250 degrees C in flow of hydrogen was found to give the best results with 100\% NO conversion to N-2 at 353 degrees C. Further ageing of the catalyst under reaction feed at 500 degrees C resulted in considerable increase in low temperature activity of bimetallic catalyst with similar to 40\% NO conversion at 222 degrees C. Even though the SCR activity of pretreated Ag-Au/Al2O3 and Ag/Al2O3 were comparable, after ageing the Ag-Au/Al2O3 showed significantly higher NO conversion (95\%) compared to Ag/Al2O3 (83\%) and Au/Al2O3 (70\%). The formation of H-2 and CO due to steam reforming of higher hydrocarbon (decane) was evidenced at the temperature of highest deNO(x) activity. Detailed investigation of the textural properties of the pretreated and aged catalysts showed presence of well dispersed metallic Au and Ag-n(delta+) clusters after pretreatment in hydrogen at 250 degrees C. (C) 2015 Elsevier B.V. All rights reserved.

}, keywords = {Ag-Au bimetallic catalyst, Catalyst ageing, dispersion, Low temperature HC-SCR, Steam reforming}, issn = {0926-3373}, doi = {10.1016/j.apcatb.2015.02.035}, author = {More, Pavan M. and Nguyen, Duy L. and Granger, Pascal and Dujardin, Christophe and Dongare, Mohan K. and Shubhangi B. Umbarkar} } @article {42933, title = {Advances in molecular quantum chemistry contained in the Q-Chem 4 program package}, journal = {Molecular Physics}, volume = {113}, year = {2015}, month = {JAN}, pages = {184-215}, abstract = {

A summary of the technical advances that are incorporated in the fourth major release of the Q-Chem quantum chemistry program is provided, covering approximately the last seven years. These include developments in density functional theory methods and algorithms, nuclear magnetic resonance (NMR) property evaluation, coupled cluster and perturbation theories, methods for electronically excited and open-shell species, tools for treating extended environments, algorithms for walking on potential surfaces, analysis tools, energy and electron transfer modelling, parallel computing capabilities, and graphical user interfaces. In addition, a selection of example case studies that illustrate these capabilities is given. These include extensive benchmarks of the comparative accuracy of modern density functionals for bonded and non-bonded interactions, tests of attenuated second order Moller-Plesset (MP2) methods for intermolecular interactions, a variety of parallel performance benchmarks, and tests of the accuracy of implicit solvation models. Some specific chemical examples include calculations on the strongly correlated Cr-2 dimer, exploring zeolite-catalysed ethane dehydrogenation, energy decomposition analysis of a charged ter-molecular complex arising from glycerol photoionisation, and natural transition orbitals for a Frenkel exciton state in a nine-unit model of a self-assembling nanotube.

}, author = {Shao, Yihan and Gan, Zhengting and Epifanovsky, Evgeny and Gilbert, Andrew T. B. and Wormit, Michael and Kussmann, Joerg and Lange, Adrian W. and Behn, Andrew and Deng, Jia and Feng, Xintian and Ghosh, Debashree} } @article { ISI:000363982300002, title = {Agriproteomics of bread wheat: comparative proteomics and network analyses of grain size variation}, journal = {OMICS-A Journal Of Integrative Biology}, volume = {19}, number = {7}, year = {2015}, month = {JUL}, pages = {372-382}, publisher = {MARY ANN LIEBERT, INC}, address = {140 HUGUENOT STREET, 3RD FL, NEW ROCHELLE, NY 10801 USA}, abstract = {

Agriproteomics signifies the merging of agriculture research and proteomics systems science and is impacting plant research and societal development. Wheat is a frequently consumed foodstuff, has highly variable grain size that in effect contributes to wheat grain yield and the end-product quality. Very limited information is available on molecular basis of grain size due to complex multifactorial nature of this trait. Here, using liquid chromatography-mass spectrometry, we investigated the proteomics profiles from grains of wheat genotypes, Rye selection 111 (RS111) and Chinese spring (CS), which differ in their size. Significant differences in protein expression were found, including 33 proteins uniquely present in RS111 and 32 only in CS, while 54 proteins were expressed from both genotypes. Among differentially expressed proteins, 22 were upregulated, while 21 proteins were downregulated in RS111 compared to CS. Functional classification revealed their role in energy metabolism, seed storage, stress tolerance and transcription. Further, protein interactive network analysis was performed to predict the targets of identified proteins. Significantly different interactions patterns were observed between these genotypes with detection of proteins such as Cyp450, Sus2, and WRKY that could potentially affect seed size. The present study illustrates the potentials of agriproteomics as a veritable new frontier of plant omics research.

}, issn = {1536-2310}, doi = {10.1089/omi.2015.0040}, author = {Dawkar, Vishal V. and Dholakia, Bhushan B. and Gupta, Vidya S.} } @article { ISI:000359537000086, title = {Antibiofilm activity of tert-BuOH functionalized ionic liquids with methylsulfonate counteranions}, journal = {RSC Advances}, volume = {5}, number = {83}, year = {2015}, month = {AUG}, pages = {68136-68142}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A series of varying alkyl chain length substituted tert-BuOH-functionalized-imidazolium mesylate salts [alkyl-(t)OHim][OMs] were synthesized and evaluated for antimicrobial activity and antibiofilm potential on selected pathogenic microorganisms including bacteria (Gram positive and Gram negative), yeast, and fungi. The dodecyl substituted ionic liquid [C-12-(t)OHim][OMs] significantly prevented the biofilm formation of S. epidermidis at 100 mu M concentration as well as showed noteworthy antimicrobial activity. We conclude that the ionic liquids (ILs) bearing chain lengths lower than the dodecyl length were found to be less effective against most of the tested pathogenic microorganisms.

}, issn = {2046-2069}, doi = {10.1039/c5ra12854d}, author = {Navale, Govinda R. and Dharne, Mahesh S. and Shinde, Sandip S.} } @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: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:000351792800014, title = {Bioactive polymersomes self-assembled from amphiphilic.PPO-glycopolypeptides: synthesis, characterization, and dual-dye encapsulation}, journal = {Langmuir}, volume = {31}, number = {11}, year = {2015}, month = {APR}, pages = {3402-3412}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Glycopolypeptide-based polymersomes have promising applications as vehicles for targeted drug delivery because they are capable of encapsulating different pharmaceuticals of diverse polarity as well as interacting with specific cell surfaces due to their hollow structural morphology and bioactive surfaces. We have synthesized glycopolypeptide-b-poly(propylene oxide) by ROP of glyco-N-carboxyanhydride (NCA) using the hydrophobic amine-terminated poly(propylene oxide) (PPO) as the initiator. This block copolymer is composed of an FDA-approved PPO hydrophobic block in conjugation with hydrophilic glycopolypeptides which are expected to be biocompatible. We demonstrate the formation of glycopolypeptide-based polymersomes from the self-assembly of glycopolypeptide-b-poly(propylene oxide) in which the presence of an ordered helical glycopolypeptide segment is required for their self-assembly into spherical nanoscale (similar to 50 nm) polymersomes. The polymersomes were characterized in detail using a variety of techniques such as TEM, AFM, cryo-SEM, and light-scattering measurements. As a model for drugs, both hydrophobic (RBOE) and hydrophilic (calcein) dyes have been incorporated within the polymersomes from solution. To substantiate the simultaneous entrapment of the two dyes, spectrally resolved fluorescence microscopy was performed on the glycopeptide polymersomes cast on a glass substrate. We show that it is possible to visualize individual nanoscale polymersomes and effectively probe the dyes colocalization and energy-transfer behaviors therein as well as investigate the variation in dual-dye encapsulation over a large number of single polymersomes. Finally, we show that the galactose moieties present on the surface can specifically recognize lectin RCA(120), which reveals that the polymersomes surface is indeed biologically active.

}, issn = {0743-7463}, doi = {10.1021/la503993e}, author = {Das, Soumen and Sharma, Dharmendar Kumar and Chakrabarty, Suman and Chowdhury, Arindam and Sen Gupta, Sayam} } @article { ISI: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:000354004400014, title = {Breaking and making of olefins simultaneously using ozonolysis: application to the synthesis of useful building blocks and macrocyclic core of solomonamides}, journal = {Organic Letters}, volume = {17}, number = {9}, year = {2015}, month = {MAY}, pages = {2090-2093}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A simple and practical one-pot) two-directional approach to access olefinic esters through simultaneous breaking and making of olefins using ozonolysis of alkenyl aryl selenides is disclosed The scope of the method with a variety of example{\textquoteright}s is demonstrated, and the end products obtained here are useful building blocks. As a direct application of the present method,the macrocyclic cote of potent anti-inflammatory natural cyclic peptides, solomonamides, is synthesized.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.5b00637}, author = {Kashinath, K. and Dhara, Santu and Reddy, D. Srinivasa} } @article { ISI:000348358200057, title = {Bronsted acidic ionic liquid-catalyzed conversion of hemicellulose into sugars}, journal = {Catalysis Science \& Technology}, volume = {5}, number = {1}, year = {2015}, month = {SEP}, pages = {531-539}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Development of a competent method for the conversion of hemicellulose, a lignocellulosic component, into sugars is essential. In a one-pot method, Bronsted acidic ionic liquid (BAIL)-catalyzed hydrolysis of hardwood hemicellulose at 160 degrees C in water media gave C5 sugars (xylose + arabinose) in 87\% yield. The efficiency of the ILs and their acid strength both followed the similar trend, [C3SO3HMIM][HSO4] \> [C3SO3HMIM][PTS] \> [C3SO3HMIM][Cl] \> [BMIM][Cl]. The ion-dipole-type interaction present between the BAIL and the substrate, which is proposed by the H-1 NMR study, is suggested to help in achieving better activity with BAIL than with mineral acid, H2SO4.

}, issn = {2044-4753}, doi = {10.1039/c4cy01047g}, author = {Matsagar, Babasaheb M. and Dhepe, Paresh Laxmikant} } @article { ISI:000351879200044, title = {C. Siva Raman (1923-2014)}, journal = {Current Science}, volume = {108}, number = {5}, year = {2015}, month = {MAR}, pages = {996-996}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, issn = {0011-3891}, author = {Deshpande, Mukund V.} } @article { ISI:000364323300003, title = {Can enantiomer ligands produce structurally distinct homochiral MOFs?}, journal = {CrystEngComm}, volume = {17}, number = {43}, year = {2015}, month = {SEP}, pages = {8202-8206}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Here, we report a self-assembled homochiral metal-organic framework [Cu-1.5(H2LL-leu)(Ac)H2O](n)center dot 3H(2)O (1) obtained from an L-leucine-derived ligand (H4L(L-leu)) and Cu(Ac)(2)center dot H2O in a 1 : 1 ratio. Coordination-induced conformational change in the ligand has been monitored by circular dichroism which has been further attested by synthesizing a D-leucine-containing enantiomer H4L D-leu and its Cu(II) complex [Cu-1.5(H2LD-leu)H2O](n)center dot 10H(2)O (2). Structure determination revealed entirely different structures for the homochiral MOFs (1 and 2) obtained from the L/D-leucine-derived enantiomer ligands under analogous reaction conditions. Further, structural dissimilarity in these MOFs has been judicially supported by proton conductance studies. MOF 1 shows higher proton (10(-5) S cm(-1)) conductance in comparison to 2 (10(-6) S cm(-1)) due to dissimilar alignment of the hydrogen-bonded water molecules in the hydrophilic pocket as well as crystal packing.

}, issn = {1466-8033}, doi = {10.1039/c5ce01180a}, author = {Dubey, Mrigendra and Kumar, Ashish and Dhavale, Vishal M. and Kurungot, Sreekumar and Pandey, Daya Shankar} } @article { ISI:000365401700034, title = {Can silicon substituted metal-free organic dyes achieve better efficiency compared to silicon free organic dyes? a computational study}, journal = {Physical Chemistry Chemical Physics}, volume = {17}, number = {46}, year = {2015}, month = {OCT}, pages = {31093-31100}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The power conversion efficiency of metal-free organic dyes in dye-sensitized solar cells (DSSCs) is now comparable to ruthenium-based polypyridyl and zinc-based porphyrin dyes. We have computationally investigated the structural, electronic and optical properties of a series of metal free organic dyes and their corresponding silicon substituted dyes. The DFT and TD-DFT calculations revealed that silicon substituted organic dyes have higher efficiency than the corresponding silicon free organic dyes. The computational results showed that the presence of silole units as a spacer group can significantly affect the performance of DSSCs compared to typically using thiophene as a spacer unit. These results corroborate the experimental observations reported in the literature. The time-dependent density functional theory (TDDFT) calculations performed at the CPCM-CAM-B3LYP/6-31+G* level of theory showed better agreement with the experimental absorption spectra of some reported metal free organic dyes having silole in the spacer group compared to other functionals and are employed in this study. Indoline donor based dye 5 showed a much shorter absorption spectrum (absorption peak at 425 nm) and smaller electron injection driving force (Delta G(injection) = -1.77 eV) than the corresponding dye 8 containing silicon substituted indoline as a donor and a silole group as a spacer unit. lambda(max) = 502 nm and Delta G(injection) = -1.82 eV calculated for dye 8 are much larger than the corresponding silicon free dye 5. The silicon based dye 8 helps in achieving a much lower DGregeneration value than 5, which can facilitate the faster electron injection rate from the dye to the semiconductor TiO2. Dye 8 should also have a higher V-oc value compared to other dyes (5-7) due to favourable interaction with the electrolyte (I-/I-3(-)). The higher planarity and better conjugation in dye 8 facilitate the transfer of electrons from the dye molecules to the semiconductor TiO2. The calculations performed with phenyl protecting groups near the silicon center of the dye molecule 8 to diminish the dimerization process showed very similar optical properties as obtained with the corresponding unprotected dye system. The designed julolidine and pyrrolo-indolizine donor based dyes also showed a similar trend as observed for indoline donor based dyes.

}, issn = {1463-9076}, doi = {10.1039/c5cp05144d}, author = {Biswas, Abul Kalam and Das, Amitava and Ganguly, Bishwajit} } @article { ISI:000359596600058, title = {Charge-switchable gold nanoparticles for enhanced enzymatic thermostability}, journal = {Physical Chemistry Chemical Physics}, volume = {17}, number = {33}, year = {2015}, month = {JUL}, pages = {21517-21524}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

This study illustrates a facile strategy for efficient immobilization of enzymes on a metal nanoparticle surface. The strategy proposed here enables the enzymatic activity to be retained while increasing the enzyme thermostability. It is demonstrated that the use of a zwitterionic amino acid tyrosine as a reducing and capping agent to synthesise gold nanoparticles allows efficient immobilization of phytase enzyme through charge-switchable electrostatic interactions. The detailed kinetic and thermodynamic studies reveal that the proposed enzyme immobilization strategy improves the overall quality of phytase by reducing the activation energy required for substrate hydrolysis and broadening the temperature window in which immobilized enzyme is able to operate. The outcomes of this study indicate that the underlying zwitterionic nature of 20 natural amino acids along with significant variability in their isoelectric points and hydropathy indices as well the ability of some of the amino acids to reduce metal ions is likely to offer significant opportunities for tailoring nano-bio interfaces in a rational manner for a range of biological applications.

}, issn = {1463-9076}, doi = {10.1039/c5cp03021h}, author = {Shankar, Shiv and Soni, Sarvesh K. and Daima, Hemant K. and Selvakannan, P. R. and Khire, Jayant Malhar and Bhargava, Suresh Kumar and Bansal, Vipul} } @article { ISI:000356176200034, title = {Chemical sensing in two dimensional porous covalent organic nanosheets}, journal = {Chemical Science}, volume = {6}, number = {7}, year = {2015}, month = {APR}, pages = {3931-3939}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Two new imide-based crystalline, porous, and chemically stable covalent organic frameworks (COFs) (TpBDH and TfpBDH) have been successfully synthesized employing solvothermal crystallization route. Furthermore, thin layered covalent organic nanosheets (CONs) were derived from these bulk COFs by the simple liquid phase exfoliation method. These 2D CONs showcase increased luminescence intensity compared to their bulk counterparts (COFs). Notably, TfpBDH-CONs showcase good selectivity and prominent, direct visual detection towards different nitroaromatic analytes over TpBDH-CONs. Quite interestingly, TfpBDH-CONs exhibit a superior {\textquoteleft}{\textquoteleft}turn-on{\textquoteright}{\textquoteright} detection capability for 2,4,6-trinitrophenol (TNP) in the solid state, but conversely, they also show a {\textquoteleft}{\textquoteleft}turn-off{\textquoteright}{\textquoteright} detection in the dispersion state. These findings describe a new approach towards developing an efficient, promising fluorescence chemosensor material for both visual and spectroscopic detection of nitroaromatic compounds with very low [10(-5) (M)] analyte concentrations.

}, issn = {2041-6520}, doi = {10.1039/c5sc00512d}, author = {Das, Gobinda and Biswal, Bishnu P. and Kandambeth, Sharath and Venkatesh, V. and Kaur, Gagandeep and Addicoat, Matthew A. and Heine, Thomas and Verma, Sandeep and Banerjee, Rahul} } @article {45931, title = {Chemically chargeable photo battery}, journal = {Journal of Physical Chemistry C}, volume = {119}, year = {2015}, month = {JUN }, pages = {14010-14016}, type = {Article}, abstract = {

Here we show a surrogate strategy for power production, wherein light is used to actuate a discharge Chemistry in the cathode of an aqueous rechargeable battery (ARB). The proposed photo battery consists of a titaninm nitride photoanode, promising. cathode:material iron(III) hexacyanoferrate(II) as the battery active species, and Na2S2O8 as the chemical charging agent The photo battery delivered negligible capacity in the dark and the capacity shot up to 77.8 mAh/g when artificially shined light, confirming that the battery chemistry is light driven. In the ambient light, the device retained 72\% of its artificial light discharge capacity with a stable cycling for more than 100 cycles. Further, an unprecedented means for charging the battery rapidly is presented using Na2S2O8 and it revitalized the battery in 30 s without any external bias. This methodology of expending a photoanode extends to a battery that is free from dissolution of active materials, irreversible structural changes, spontaneous deinsertion reactions, and safety concerns commonly encountered in the state of the art anode materials in ARBs. Apart from bringing out a sustainable way for power production, this device opens up avenues for charging the battery in the likely events of electrical input unavailability, while solving the critcial issues of longer charging time and higher charging voltage.

}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.5b02871}, author = {Thimmappa, Ravikumar and Paswan, Bhuneshwar and Gaikwad, Pramod and Devendrachari, Mruthyunjayachari Chattanahalli and Kotresh, Harish Makri Nimbegondi and Mohan, Ramsundar Rani and Alias, Joy Pattayil and Thotiyl, Musthafa Ottakam} } @article { ISI:000356801300073, title = {Chemically grafted graphite nanosheets dispersed in poly(ethylene-glycol) by gamma-radiolysis for enhanced lubrication}, journal = {RSC Advances}, volume = {5}, number = {66}, year = {2015}, month = {JUN}, pages = {53766-53775}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Graphite nanosheets (Gr-NS) dispersed in poly(ethylene-glycol) (PEG200) medium were subjected to various doses of gamma-irradiation. Hydroxyl functional groups present in PEG are chemically grafted through hydrogen bonding with hydroxyl, carbonyl and carboxylic groups of Gr-NS. The grafting process is driven by the generation of active radicals from solvent radiolysis. Chemical grafting was investigated using X-ray photoelectron spectroscopy (XPS) and Fourier transform infra-red (FTIR) spectroscopy. The results of spectroscopic studies revealed reduction in oxygen functionality of PEG-Gr-NS at higher doses of gamma-irradiation. The gamma-irradiation not only bridges the functionalities between PEG and PEG-Gr-NS but edge and basal plane defects in Gr-NS are further reduced as is evident from Raman analysis. The inter-planar sheet distance in Gr-NS is increased due to intercalated chemical grafting with PEG molecules. The chemical grafting between PEG and Gr-NS and reduction in defects enhance the tribological properties with a decrease of 26\% and 32\% for the friction coefficient and wear, respectively as compared to PEG alone. The lubrication mechanism is mediated through inter-planar weak forces when PEG is chemically grafted with Gr-NS. The electrostatic interaction of PEG with Gr-NS acts as a molecular bridge thus enhancing the sustainability of tribo-stress. Additionally, in the presence of functionalized PEG-Gr-NS tribo-contact conditions, evidence of deposited graphitic tribo-film was observed from micro-Raman spectroscopy inside the steel wear track. This film further enhanced lubrication mediated through low shear strength interlayer graphite sheets and therefore, antiwear properties were synergistically improved.

}, issn = {2046-2069}, doi = {10.1039/c5ra07528a}, author = {Gupta, Bhavana and Panda, Kalpataru and Kumar, Niranjan and Melvin, Ambrose A. and Dash, Sitaram and Tyagi, Ashok Kumar} } @article { ISI:000358250800001, title = {Chromerid genomes reveal the evolutionary path from photosynthetic algae to obligate intracellular parasites}, journal = {Elife}, volume = {4}, year = {2015}, month = {JUL}, pages = {Article Number: e06974}, publisher = {ELIFE SCIENCES PUBLICATIONS LTD}, address = {SHERATON HOUSE, CASTLE PARK, CAMBRIDGE, CB3 0AX, ENGLAND}, abstract = {

The eukaryotic phylum Apicomplexa encompasses thousands of obligate intracellular parasites of humans and animals with immense socio-economic and health impacts. We sequenced nuclear genomes of Chromera velia and Vitrella brassicaformis, free-living non-parasitic photosynthetic algae closely related to apicomplexans. Proteins from key metabolic pathways and from the endomembrane trafficking systems associated with a free-living lifestyle have been progressively and non-randomly lost during adaptation to parasitism. The free-living ancestor contained a broad repertoire of genes many of which were repurposed for parasitic processes, such as extracellular proteins, components of a motility apparatus, and DNA-and RNA-binding protein families. Based on transcriptome analyses across 36 environmental conditions, Chromera orthologs of apicomplexan invasion-related motility genes were co-regulated with genes encoding the flagellar apparatus, supporting the functional contribution of flagella to the evolution of invasion machinery. This study provides insights into how obligate parasites with diverse life strategies arose from a once free-living phototrophic marine alga.

}, issn = {2050-084X}, doi = {10.7554/eLife.06974}, author = {Woo, Yong H. and Ansari, Hifzur and Otto, Thomas D. and Klinger, Christen M. and Kolisko, Martin and Michalek, Jan and Saxena, Alka and Shanmugam, Dhanasekaran and Tayyrov, Annageldi and Veluchamy, Alaguraj and Ali, Shahjahan and Bernal, Axel and del Campo, Javier and Cihlar, Jaromir and Flegontov, Pavel and Gornik, Sebastian G. and Hajduskova, Eva and Horak, Ales and Janouskovec, Jan and Katris, Nicholas J. and Mast, Fred D. and Miranda-Saavedra, Diego and Mourier, Tobias and Naeem, Raeece and Nair, Mridul and Panigrahi, Aswini K. and Rawlings, Neil D. and Padron-Regalado, Eriko and Ramaprasad, Abhinay and Samad, Nadira and Tomcala, Ales and Wilkes, Jon and Neafsey, Daniel E. and Doerig, Christian and Bowler, Chris and Keeling, Patrick J. and Roos, David S. and Dacks, Joel B. and Templeton, Thomas J. and Waller, Ross F. and Lukes, Julius and Obornik, Miroslav and Pain, Arnab} } @article { ISI:000364504500016, title = {Citreicella manganoxidans sp nov., a novel manganese oxidizing bacterium isolated from a shallow water hydrothermal vent in Espalamaca (Azores)}, journal = {Antonie Van Leeuwenhoek International Journal of General and Molecular Microbiology}, volume = {108}, number = {6}, year = {2015}, month = {DEC}, pages = {1433-1439}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

A Gram-stain negative, non-motile, non-spore forming, aerobic and rod or narrow lemon-shaped bacterial strain, VSW210(T), was isolated from surface seawater in a shallow water hydrothermal vent region in Espalamaca (Azores). Strain VSW210(T) was found to grow optimally at 30 A degrees C, at pH 7 and in the presence of 2-6 \% (w/v) NaCl. A neighbour-joining phylogenetic tree based on 16S rRNA gene sequences revealed that strain VSW210(T) clusters with the type strain Citreicella marina CK-I3-6(T) (sequence similarity value of 99.6 \%), but DNA-DNA hybridization showed DNA-DNA relatedness between the strain VSW210(T) and C. marina CK-I3-6(T) to be 55.8 +/- A 3.2 \%. The DNA G+C content of strain VSW210(T) was determined to be 67.4 mol\%. The cellular fatty acid profiles of strain VSW210(T) was found to contain C-18:1 omega 7c (80.1 \%) and C-16:0 (9.2 \%). The major polar lipids in strain VSW210(T) were identified as phosphatidylcholine, phosphatidylethanolamine, phosphatidylglycerol, diphosphatidylglycerol and an unidentified phospholipid. Strain VSW210(T) was found to be able to oxidize soluble Mn(II) to insoluble MnO2, which was confirmed with LBB staining. Differential phenotypic properties and genetic uniqueness revealed that this strain VSW210(T) is distinguishable from other species of the genus Citreicella. On the basis of the data presented, strain VSW210(T) is considered to represent a novel species of the genus Citreicella, for which the name Citreicella manganoxidans sp. nov. is proposed. The type strain is VSW210(T) (=KCTC 32497(T) = MCC 2286(T)).

}, keywords = {Azores, Citreicella manganoxidans sp nov, Hydrothermal vent, Polyphasic taxonomy, Seawater}, issn = {0003-6072}, doi = {10.1007/s10482-015-0597-x}, author = {Rajasabapathy, Raju and Mohandass, Chellandi and Dastager, Syed Gulam and Liu, Qing and Li, Wen-Jun and Colaco, Ana} } @article {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: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:000360404400089, title = {Cobalt ferrite nanoparticles: a magnetically separable and reusable catalyst for Petasis-Borono-Mannich reaction}, journal = {RSC Advances}, volume = {5}, number = {86}, year = {2015}, month = {AUG}, pages = {70586-70594}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Magnetically separable cobalt ferrite nanoparticles (CoFe2O4, NPS) have been demonstrated for the first time as an efficient catalyst in Petasis-Borono-Mannich (PBM) reaction between salicylaldehydes, sec. amines and aryl boronic acids to furnish alkylaminophenols in high yields. Relatively shorter reaction times, easy purification of the products and reusability of the catalyst for five consecutive runs without appreciable loss in it{\textquoteright}s activity are the noteworthy features of the developed protocol.

}, issn = {2046-2069}, doi = {10.1039/c5ra10693a}, author = {Kulkarni, Aparna M. and Pandit, Kapil S. and Chavan, Pramod V. and Desai, Uday V. and Wadgaonkar, Prakash P.} } @article { ISI:000355638100042, title = {Coherent fusion of water array and protonated amine in a metal-sulfate-based coordination polymer for proton conduction}, journal = {Inorganic Chemistry}, volume = {54}, number = {11}, year = {2015}, month = {JUN}, pages = {5366-5371}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A new function of metal-sulfate-based co-ordination polymer (CP) for proton,conduction Was investigated through rational integration of a continuous water array and protonated amine in the coordination space of the CP. The H-bonded arrays of watet molecules along with nitrogen-rich aromatic cation (protonated melamine) facilitate proton conduction in the compound under humid conditions. Although several reports of metal-oxalate/phosphate-based CPs showing proton conduction are known, this is the first designed synthesis of a metal sulfate-based CP bearing-Water arrays functioning as a solid-state proton conductor:

}, issn = {0020-1669}, doi = {10.1021/acs.inorgchem.5b00416}, author = {Manna, Biplab and Anothumakkool, Bihag and Desai, Aamod V. and Samanta, Partha and Kurungot, Sreekumar and Ghosh, Sujit K.} } @article { ISI:000353085000004, title = {Concise enantioselective synthesis of marine macrolide-stagonolide E via organocatalysis}, journal = {Tetrahedron-Asymmetry}, volume = {26}, number = {7}, year = {2015}, month = {APR}, pages = {344-349}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A short and efficient enantioselective synthesis of marine macrolide stagonolide E in high enantiomeric purity (98\% ee and 8.5\% overall yield) starting from commercially available raw materials has been achieved. The strategy involves proline catalyzed sequential alpha-aminooxylation and Horner-Wadsworth-Emmons olefination, highly stereoselective Ando{\textquoteright}s cis-olefination, and modified Yamaguchi macrolactonization as the key reaction steps. (C) 2015 Elsevier Ltd. All rights reserved.

}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2015.03.001}, author = {Dey, Soumen and Sudalai, Arumugam} } @article { ISI:000354982900007, title = {Concise enantioselective synthesis of naturally active (S)-3-hydroxypiperidine}, journal = {Synthetic Communications}, volume = {45}, number = {13}, year = {2015}, month = {APR}, pages = {1559-1565}, publisher = {TAYLOR \& FRANCIS INC}, address = {530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA}, abstract = {

A short and efficient enantioselective synthesis of natural product (S)-3-hydroxypiperidine has been achieved starting from commercially available raw materials employing two catalytic routes: (i) cocatalyzed hydrolytic kinetic resolution (HKR) of racemic methyl-3-(oxiran-2-yl)propanoate; (ii) proline-catalyzed -aminooxylation followed by Horner-Wardsworth-Emmons olefination in high enantiomeric purity (97\% ee) and high overall yield (38\%).

}, keywords = {Asymmetric synthesis, bioactivity, Enantioselectivity, Natural products, organocatalysis}, issn = {0039-7911}, doi = {10.1080/00397911.2015.1033428}, author = {Dey, Soumen and Karabal, Pratibha U. and Sudalai, Arumugam} } @article {45938, title = {Concise enantioselective synthesis of (R)-selegiline, (S)-benzphetamine and formal synthesis of (R)-sitagliptin via electrophilic azidation of chiral imide enolates}, journal = {Tetrahedron-Asymmetry}, volume = {26}, year = {2015}, month = {JAN}, pages = {67-72}, type = {Article}, abstract = {

A concise and high yielding enantioselective synthesis of (R)-selegiline, an anti-Parkinson{\textquoteright}s drug, (S)-benzphetamine, an anti-obesity agent, and (S)-sitagliptin, an anti-diabetic drug has been described starting from commercially available starting materials employing Evans{\textquoteright} electrophilic azidation of chiral imide enolates as a key chiral inducing step, which proceeds in a highly diastereoselective manner (\>99\%). (C) 2014 Elsevier Ltd. All rights reserved.

}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2014.11.014}, author = {Dey, Soumen and Sudalai, Arumugam} } @inbook {42953, title = {Conversion of biomass into sugars}, booktitle = {Biomass sugars for non-fuel applications}, year = {2015}, pages = {1-53}, publisher = {Royal Society of Chemistry}, organization = {Royal Society of Chemistry}, chapter = {1}, address = {Cambridge, UK}, doi = {10.1039/9781782622079}, author = {Bhaumik, Prasenjit and Dhepe, Paresh Laxmikant and Dmitry, Murzin and Olga, Simakova} } @article { ISI:000365217600004, title = {Conversion of concentrated sugar solutions into 5-hydroxymethyl furfural and furfural using Bronsted acidic ionic liquids}, journal = {Catalysis Science \& Technology}, volume = {5}, number = {12}, year = {2015}, month = {SEP}, pages = {5086-5090}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Catalytic amounts of recyclable Bronsted acidic ionic liquids (BAILs) yielded HMF (73\%) and furfural (81\%) with high selectivity from highly concentrated solutions of D-fructose (40 wt\%) and D-xylose (3 wt\%), respectively. With a 6 wt\% D-xylose solution, 73\% yield was observed. An activity-property correlation of BAIL is established.

}, issn = {2044-4753}, doi = {10.1039/c5cy00858a}, author = {Matsagar, Babasaheb M. and Munshi, Mudassir K. and Kelkar, Ashutosh A. and Dhepe, Paresh Laxmikant} } @article { ISI:000350843500006, title = {Cu-Pt nanocage with 3-D electrocatalytic surface as an efficient oxygen reduction electrocatalyst for a primary Zn-air battery}, journal = {ACS Catalysis}, volume = {5}, number = {3}, year = {2015}, month = {MAR}, pages = {1445-1452}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Cu-Pt nanocage (CuPt-NC) intermetallic structures have been prepared by an in situ galvanic displacement reaction. The structures are found to be well organized within the framework demarcated with distinguishing arms, having clear edges and corners with a size of similar to 20 nm. The unique nanocage structure possessing large specific surface area and better structural integrity helps to achieve improved electrochemical oxygen reduction reaction activity and stability in alkaline solution in comparison to the commercially available 20 wt \% Pt/C. CuPt-NC shows 50 mV positive onset potential shift with significantly higher limiting current in comparison to Pt/C. Interestingly, CuPt-NC has shown 2.9- and 2.5-fold improved mass activity and specific activity, respectively, for ORR at 0.9 V vs RHE in comparison to Pt/C. Moreover, the stability of CuPt-NC has been tested by an accelerated durability test under alkaline conditions. CuPt-NC has been subsequently utilized as the air electrode in a primary Zn-air battery and is found to possess 1.30- and 1.34-fold improved power density and current density at 1 V, respectively, in comparison to the state-of-the-art Pt/C catalyst. In addition, CuPt-NC has shown several hours of constant discharge stability at 20 mA cm(-2) with a specific capacity of 560 mAh gZn(-1) and energy density of 728 Wh kgZn(-1) in the primary Zn-air battery system.

}, keywords = {3-D electrocatalytic surface, Cu-Pt nanocage, electrocatalyst, galvanic displacement, oxygen reduction reaction, solvothermal method, Zn-air battery}, issn = {2155-5435}, doi = {10.1021/cs501571e}, author = {Dhavale, Vishal M. and Kurungot, Sreekumar} } @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:000346006700016, title = {Decoration of CdS nanoparticles on 3D self-assembled ZnO nanorods: a single-step process with enhanced field emission behaviour}, journal = {CrystEngComm}, volume = {17}, number = {1}, year = {2015}, month = {NOV}, pages = {140-148}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A well-defined CdS-ZnO heteroarchitecture has been synthesized via a facile single-step hydrothermal approach. The morphological and structural studies reveal the formation of 3D nano-architectures, in which self-assembled ZnO nanorods (diameter similar to 50 nm) are well decorated with single crystalline CdS nanoparticles (size similar to 10 nm). The CdS-ZnO heteroarchitecture exhibits a remarkable change in the optical absorption due to the surface modification of ZnO nanorods by CdS. Surprisingly, under identical reaction conditions, the global ZnS nanoparticles are selectively grown at the apex of ZnO nanorods on the Zn substrate. Furthermore, a plausible growth mechanism has been presented on the basis of experimental results. Interestingly, the CdS-ZnO heteroarchitecture shows enhanced field emission properties such as low turn-on field, high emission current density and better current stability in comparison to other ZnO-based nanostructures. The present CdS-ZnO heteroarchitecture could be extended to other potential applications, such as chemical sensors, photodetectors, optoelectronic devices, and photocatalysts.

}, issn = {1466-8033}, doi = {10.1039/c4ce01738b}, author = {Warule, Sambhaji S. and Chaudhari, Nilima S. and Shisode, Raju T. and Desa, Keith V. and Kale, Bharat B. and More, Mahendra A.} } @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:000361004700026, title = {Design and synthesis of 11 alpha-substituted bile acid derivatives as potential anti-tuberculosis agents}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {25}, number = {19}, year = {2015}, month = {OCT}, pages = {4185-4190}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

We have synthesized a series of novel 11 alpha-triazoyl bile acid derivatives. In addition, we also have synthesized N-alkyl and N-acyl derivatives of C-11 amino bile acid esters. All the compounds were evaluated for the inhibitory activity against Mycobacterium tuberculosis H37Ra (MTB) at 30 mu g/mL level. Four lead compounds (2b, 3, 7 and 8) were further confirmed from their dose dependent effect against MTB. These compounds were found to be active against Dormant and active stage MTB under both in vitro as well as within THP1 host macrophages. The most promising compound 2b showed strong antitubercular activities against MTB under in vitro and ex vivo (IC90 value of similar to 3 mu g/mL) conditions and almost insignificant cytotoxicity up to 100 mu g/mL against THP-1, A549 and PANC-1 human cancer cell lines. Inactivity of all these compounds against Gram positive and Gram negative bacteria indicates their specificity. Molecular docking studies of these compounds into the active site of DprE1 enzyme revealed a similar binding mode to native ligands in the crystal structure thereby helping to establish a structural basis of inhibition of MTB. The synthesized compounds were analyzed for ADME properties and showed potential to develop good oral drug candidates. Our results clearly indicate the identification of some novel, selective and specific inhibitors against MTB that can be explored further for potential antitubercular drug. (C) 2015 Elsevier Ltd. All rights reserved.

}, keywords = {Antituberculosis, Bile acids, Cycloaddition, Docking study, In silico ADME}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2015.08.006}, author = {Pore, Vandana S. and Divse, Jaisingh M. and Charolkar, Chaitanya R. and Nawale, Laxman U. and Khedkar, Vijay M. and Sarkar, Dhiman} } @article { ISI:000364803200011, title = {Design and synthesis of a focused library of diamino triazines as potential mycobacterium tuberculosis DHFR inhibitors}, journal = {ACS Medicinal Chemistry Letters}, volume = {6}, number = {11}, year = {2015}, month = {NOV}, pages = {1140-1144}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

We report design of a series of 2,4-diamino triazines as Mycobacterium tuberculosis (Mtb) dihydrofolate reductase inhibitors. The synthesized compounds were evaluated against Mtb (H(37)Rv and Dormant stage H37Ra), their cytotoxicity was assessed (HepG2 and A549 cell lines), and selectivity toward Mtb was evaluated by testing against other bacterial strains. Some derivatives showed promising activity along with low cytotoxicity. The most potent compound in the whole cell assay (MIC 0.325 mu M against H(37)Rv) showed selectivity in the enzyme assay and exhibited synergy with second line anti-TB agent p-amino salicylic acid. This study therefore provides promising molecules for further development as antituberculosis DHFR inhibitors.

}, keywords = {Diamino triazine, dihydrofolate reductase, enzyme assay, molecular modeling, Mycobacterium tuberculosis, selectivity, synergy}, issn = {1948-5875}, doi = {10.1021/acsmedchemlett.5b00367}, author = {Lele, Arundhati C. and Raju, Archana and Khambete, Mihir P. and Ray, M. K. and Rajan, M. G. R. and Arkile, Manisha A. and Jadhav, Nandadeep J. and Sarkar, Dhiman and Degani, Mariam S.} } @article { ISI:000364803200005, title = {Design, synthesis, and identification of silicon incorporated oxazolidinone antibiotics with improved brain exposure}, journal = {ACS Medicinal Chemistry Letters}, volume = {6}, number = {11}, year = {2015}, month = {NOV}, pages = {1105-1110}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Therapeutic options for brain infections caused by pathogens with a reduced sensitivity to drugs are limited. Recent reports on the potential use of linezolid in treating brain infections prompted us to design novel compounds around this scaffold. Herein, we describe the design and synthesis of various oxazolidinone antibiotics with the incorporation of silicon. Our findings in preclinical species suggest that silicon incorporation is highly useful in improving brain exposures. Interestingly, three compounds from this series demonstrated up to a 30-fold higher brain/plasma ratio when compared to linezolid thereby indicating their therapeutic potential in brain associated disorders.

}, keywords = {Antibacterial, brain exposure, linezolid, oxazolidinone, sila analogue}, issn = {1948-5875}, doi = {10.1021/acsmedchemlett.5b00213}, author = {Seetharamsingh, B. and Ramesh, Remya and Dange, Santoshkumar S. and Khairnar, Pankaj V. and Singhal, Smita and Upadhyay, Dilip and Veeraraghavan, Sridhar and Viswanadha, Srikant and Vakkalanka, Swaroop and Reddy, D. Srinivasa} } @article { ISI:000347717000009, title = {Direct synthesis of secondary amines from alcohols and ammonia catalyzed by a ruthenium pincer complex}, journal = {Catalysis Letters}, volume = {145}, number = {1}, year = {2015}, month = {JAN}, pages = {139-144}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Efficient and selective direct synthesis of secondary amines from primary alcohols and ammonia with liberation of water has been achieved, with high turnover numbers and with no generation of waste. In case of benzylic alcohols, imines rather than amines are obtained. This atom economical, environmentally benign reaction is homogenously catalyzed by a well-defined bipyridine based Ru(II)-PNN pincer complex.

}, keywords = {Alcohol, Ammonia, Homogenous catalysis, Ru-pincer complex, Secondary amine}, issn = {1011-372X}, doi = {10.1007/s10562-014-1422-2}, author = {Balaraman, Ekambaram and Srimani, Dipankar and Diskin-Posner, Yael and Milstein, David} } @article { ISI:000351970000002, title = {Dripping dynamics of newtonian liquids from a tilted nozzle}, journal = {European Journal of Mechanics B-Fluids}, volume = {51}, year = {2015}, month = {MAY-JUN}, pages = {8-15}, publisher = {GAUTHIER-VILLARS/EDITIONS ELSEVIER}, address = {23 RUE LINOIS, 75015 PARIS, FRANCE}, abstract = {

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

}, keywords = {Asymmetric dripping, Breakup time, Drop volume, Inclined nozzle, Phase diagram}, issn = {0997-7546}, doi = {10.1016/j.euromechflu.2014.12.004}, author = {Taur, Amaraja and Doshi, Pankaj and Yeoh, Hak Koon} } @article { ISI: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:000363775800020, title = {Effect of interfacial mass transfer on the dispersion in segmented flow in straight capillaries}, journal = {AICHE Journal}, volume = {61}, number = {12}, year = {2015}, month = {DEC}, pages = {4294-4308}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

The effect of interfacial mass transfer on the extent of dispersion in liquid-liquid segmented flow in straight capillaries is studied. In the absence of interfacial mass transfer, dispersion coefficient was seen to go through a minimum with increasing flow rates. In the presence of mass transfer, physicochemical properties of both the phases and slug lengths were seen to vary along the capillary length. The extent of dispersion was always higher in the presence of interfacial mass transfer. The predictions using axial dispersion model deviated noticeably for larger capillaries as the model does not account for varying buoyancy, dynamic contacting, and Marangoni convection. Simulations of a first-order interfacial reaction considering varying slug lengths showed a significant change in optimum operating parameters than the conventional approach. A special case of drop-on-demand type of controlled two-phase flow in capillaries was also studied. (c) 2015 American Institute of Chemical Engineers.

}, keywords = {capillary, dispersion, interfacial mass transfer, segmented flow, slugs}, issn = {0001-1541}, doi = {10.1002/aic.14945}, author = {Deshpande, Jaydeep B. and Kulkarni, Amol A.} } @article { ISI:000354137000012, title = {Effects of careful designing of SAPO-44 catalysts on the efficient synthesis of furfural}, journal = {Catalysis Today}, volume = {251}, year = {2015}, note = {7th Tokyo Conference on Advanced Catalytic Science and Technology (TOCAT), Kyoto, JAPAN, JUN 01-06, 2014}, month = {AUG}, pages = {66-72}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Considering the growing importance of furfural, it is necessary to develop a robust solid acid catalyst for the conversion of xylan (hemicelluloses) into furfural in a one-pot method. In this study, the effects of various components (Si, Al and P) and crystallization time on the preparation of acidic materials and their properties are extensively described. It is seen that with the increase in crystallization time (0, 48, 96, 176 h) during the synthesis of silicoaluminophosphate (SAPO-44), materials morphology changes from amorphous to AFI to CHA and the best activity for furfural synthesis (82\%) from xylan was observed with SAPO-44 catalyst aged for 176 h. Since, acidity in the SAPO-44 is guided by the incorporation of Si in the ALPO framework, study on Si molar concentration (0.8, 1.0, 1.2, 1.4 and 1.6) in SAPO-44 was carried out and it was observed that SAPO-44 having 1.0 mole of Si content is the best catalyst for the xylan/xylose conversion to furfural. Catalyst structure-activity correlation is thoroughly defined with the help of several physico-chemical properties. (C) 2014 Elsevier B.V. All rights reserved.

}, keywords = {Biomass, furfural, Hemicellulose, SAPO-44, Xylose}, issn = {0920-5861}, doi = {10.1016/j.cattod.2014.10.042}, author = {Bhaumik, Prasenjit and Dhepe, Paresh Laxmikant} } @article { ISI:000347150700005, title = {Efficient method for the conversion of agricultural waste into sugar alcohols over supported bimetallic catalysts}, journal = {Bioresource Technology}, volume = {178}, year = {2015}, month = {FEB}, pages = {36-44}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

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

}, keywords = {Agricultural waste, Bimetallic catalyst, Hydrogenation, Monosaccharides, Polysaccharides}, issn = {0960-8524}, doi = {10.1016/j.biortech.2014.10.036}, author = {Tathod, Anup P. and Dhepe, Paresh Laxmikant} } @article { ISI:000353831200020, title = {Electrochemical preparation of nitrogen-doped graphene quantum dots and their size-dependent electrocatalytic activity for oxygen reduction}, journal = {Bulletin of Materials Science}, volume = {38}, number = {2}, year = {2015}, month = {APR}, pages = {435-442}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

Here we report a remarkable transformation of nitrogen-doped multiwalled carbon nanotubes (MWCNTs) to size selective nitrogen-doped graphene quantum dots (N-GQDs) by a two-step electrochemical method. The sizes of the N-GQDs strongly depend on the applied anodic potential, moreover increasing potential resulted in a smaller size of N-GQDs. These N-GQDs display many unusual size-dependant optoelectronic (blue emission) and electrocatalytic (oxygen reduction) properties. The presence of N dopants in the carbon framework not only causes faster unzipping of MWCNTs but also provides more low activation energy site for enhancing the electrocatalytic activity for technologically daunting reactions like oxygen reduction. The smaller size of N-GQDs has shown better performance as compared to the large N-GQDs. Interestingly, N-GQDs-3 (size = 2.5 +/- 0.3 nm, onset potential = 0.75 V) show a 30-mV higher positive onset potential shift compared to that of N-GQDs-2 (size = 4.7 +/- 0.3 nm, onset potential = 0.72 V) and 70 mV than that of N-GQDs-1 (size = 7.2 +/- 0.3, onset potential = 0.68 V) for oxygen reduction reaction (ORR) in a liquid phase. These result in the size-dependent electrocatalytic activity of N-GQDs for ORR as illustrated by the smaller sized N-GQDs (2.5 +/- 0.3 nm) undoubtedly promising metal-free electrocatalysts for fuel cell applications.

}, keywords = {fuel cells, MWCNTs, N-GQDs, oxygen reduction reaction, unzipping}, issn = {0250-4707}, doi = {10.1007/s12034-014-0834-3}, author = {Shinde, Dhanraj B. and Dhavale, Vishal M. and Kurungot, Sreekumar and Pillai, Vijayamohanan K.} } @article { ISI:000354238700002, title = {Electron attachment to DNA and RNA nucleobases: an EOMCC investigation}, journal = {International Journal of Quantum Chemistry}, volume = {115}, number = {12}, year = {2015}, month = {JUN}, pages = {753-764}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

We report a benchmark theoretical investigation of both vertical and adiabatic electron affinities of DNA and RNA nucleobases: adenine, guanine, cytosine, thymine, and uracil using equation of motion coupled cluster method. The vertical electron affinity (VEA) values of the first five states of the DNA and RNA nucleobases are computed. It is observed that the first electron attached state is energetically accessible in gas phase. Furthermore, an analysis of the natural orbitals exhibits that the first electron attached states of uracil and thymine are valence-bound in nature and undergo significant structural changes on attachment of an extra electron, which reflects in the deviation of the adiabatic electron affinity (AEA) than that of the vertical ones. Conversely, the first electron attached states of cytosine, adenine, and guanine are in the category of dipole-bound anions. Their structure, by and large, remain unaffected on attachment of an extra electron, which is evident from the observed small difference between the AEA and VEA values. VEA and AEA values of all the DNA and RNA nucleobases are found to be negative, which implies that the first electron attached states are not stable rather quasi bound. The results of all previous theoretical calculations are out of track and shows large deviation with respect to the experimentally measured values, whereas, our results are found to be in good agreement. Therefore, our computed values can be used as a reliable standard to calibrate new theoretical methods. (c) 2015 Wiley Periodicals, Inc.

}, keywords = {DNA-RNA bases, electron affinity, EOMCC}, issn = {0020-7608}, doi = {10.1002/qua.24892}, author = {Dutta, Achintya Kumar and Sengupta, Turbasu and Vaval, Nayana and Pal, Sourav} } @article { ISI:000354137000018, title = {Encapsulation of ultra small metal clusters in silica: evolution of the concept of nanoreactors and the case of Ag-Pd@SiO2 alloy catalyst}, journal = {Catalysis Today}, volume = {251}, year = {2015}, note = {7th Tokyo Conference on Advanced Catalytic Science and Technology (TOCAT), Kyoto, JAPAN, JUN 01-06, 2014}, month = {AUG}, pages = {114-120}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The concept of encapsulation of ultra small clusters within silica evolved as a means to address the sintering of active metal nanoparticles and subsequent deactivation observed in supported noble metal catalysts. It is hypothesised that sintering, which mainly occurs due to mobility of metal species on the support surfaces, can be minimised if the growth and movement of metal nanoparticles are constrained. First, nanoparticles are isolated inside 1D channels in 2D mesoporous compounds and the idea develops to complete encapsulation of thiol protected ultra small nanoclusters in silica spheres. Sintering is better controlled in the latter due to the confined space for growth of nanoparticles. Access of reactant molecules to the active metal surfaces also is ensured by porosity created in the silica matrix forming the basis of the concept of nanoreactors. In this paper, we elaborate on the evolution of this concept from our earlier work on highly sinter resistant silica encapsulated Au, Pd and Au-Pd alloys to the present system of Ag-Pd alloy encapsulated in silica. Silver, with the lowest Tammann temperature among noble metals, is highly prone to sintering which is adequately controlled by alloying with Pd as well as encapsulation in silica. Its enhanced activity in paranitrophenol reduction in comparison with pure metals indicates the advantageous effect of alloying. (C) 2014 Elsevier B.V. All rights reserved.

}, keywords = {Ag-Pd alloy, Encapsulation, Sinter resistant, Sintering, Ultra small nanoclusters}, issn = {0920-5861}, doi = {10.1016/j.cattod.2014.11.006}, author = {Mondal, Sourik and Samanta, Anupam and Dhar, Basab B. and Devi, R. Nandini} } @article { ISI:000356201700008, title = {EOMIP-CCSD(2)*: an efficient method for the calculation of ionization potentials}, journal = {Journal of Chemical Theory and Computation}, volume = {11}, number = {6}, year = {2015}, month = {JUN}, pages = {2461-2472}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A new approximation within the domain of EOMIP-CC method is proposed. The proposed scheme is based on the perturbative truncation of the similarity transformed effective Hamiltonian matrix. We call it the EOMIP-CCSD(2)* method, which scales as noniterative N-6 and its storage requirement is very less, compared to the conventional EOMIP-CCSD method. The existing EOMIP-CCSD(2) method has a tendency to overestimate the ionization potential (IP) values. On the other hand, our new strategy corrects for the problem of such an overestimation, which is evident from the excellent agreement achieved with the experimental values. Furthermore, not only the ionization potential but also geometry and IR frequencies of problematic double radicals are estimated correctly, and the results are comparable to the CCSD(T) method, obviously at lesser computational cost. The EOMIP-CCSD(2)* method works even for the core ionization and satellite IP, where the earlier EOMIP-CCSD(2) approximation dramatically fails.

}, issn = {1549-9618}, doi = {10.1021/ct500927h}, author = {Dutta, Achintya Kumar and Vaval, Nayana and Pal, Sourav} } @article { ISI:000361075900038, title = {Exiguobacterium enclense sp nov., isolated from sediment}, journal = {International Journal of Systematic and Evolutionary Microbiology}, volume = {65}, number = {5}, year = {2015}, month = {MAY}, pages = {1611-1616}, publisher = {SOC GENERAL MICROBIOLOGY}, address = {MARLBOROUGH HOUSE, BASINGSTOKE RD, SPENCERS WOODS, READING RG7 1AG, BERKS, ENGLAND}, abstract = {

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

}, issn = {1466-5026}, doi = {10.1099/ijs.0.000149}, author = {Dastager, Syed Gulam and Mawlankar, Rahul R. and Sonalkar, Vidya V. and Thorat, Meghana N. and Mual, Poonam and Verma, Ashish and Krishnamurthi, Srinivasan and Tang, Shan-Kun and Li, Wen-Jun} } @article { ISI:000359867300004, title = {Extrusion film casting of long chain branched polypropylene}, journal = {Polymer Engineering and Science}, volume = {55}, number = {9}, year = {2015}, month = {SEP}, pages = {1977-1987}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Extrusion film casting (EFC) is an important melt processing operation which is extensively used to make polypropylene (PP) films. Linear PP shows significant amount of necking and draw resonance during EFC. One of the ways to reduce necking is to introduce long chain branches (LCB) on the polymer backbone. The long branches impart extensional strain hardening behavior thereby stabilizing the melt flow. In this work, we investigate the influence of long chain branching in polypropylene on the extent of necking in the EFC process. Laboratory scale EFC experiments were performed on homopolymer PP of linear and long chain branched architectures. Simulations of the EFC process were carried out using the one-dimensional flow model of Silagy et al., Polym. Eng. Sci.,36, 2614 (1996) into which we incorporate two different multi-mode molecular constitutive equations namely, the eXtended Pom-Pom{\textquoteright} equation (XPP, for long chain branched PP) and the Rolie-Poly{\textquoteright} equation (RP-S, for linear PP). Our experimental data confirm that presence of long chain branching in PP reduces the extent of necking and our numerical predictions show qualitative agreement with experimental data, thereby elucidating the role of chain architecture on the extent of necking. POLYM. ENG. SCI., 55:1977-1987, 2015. (c) 2014 Society of Plastics Engineers

}, issn = {0032-3888}, doi = {10.1002/pen.24039}, author = {Chikhalikar, Kalyani and Banik, Sourya and Azad, Lal Busher and Jadhav, Kishor and Mahajan, Sunil and Ahmad, Zubair and Kulkarni, Surendra and Gupta, Surendra and Doshi, Pankaj and Pol, Harshawardhan and Lele, Ashish K.} } @article { ISI:000353753200006, title = {Facile gamma radiolytic methodology for TiO2-rGO synthesis: effect on photo-catalytic H-2 evolution}, journal = {International Journal of Hydrogen Energy}, volume = {40}, number = {17}, year = {2015}, month = {MAY}, pages = {5815-5823}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

TiO2 (P25) decorated reduced graphene oxide (rGO) is synthesized by gamma-radiolytic technique using water-ethanol solvent medium. Visible light absorpdon was confirmed by UV-Visible spectroscopy. Photoluminescence (PL) study revealed a decline in electron-hole recombination rate signalled by a sharp fall in luminescence of TiO2. Under such scenario, electron transfer from TiO2 conduction band to the conjugated sheet becomes a preferred pathway in the presence of rGO, which is further confirmed by photocurrent measurement. TiO2 -rGO composite with 1 wt. \% rGO was found to be the best composition in terms of visible light absorption, while retaining TiO2 crystallinity. Transmission electron microscopy and Raman spectroscopic studies confirmed the coating of rGO sheet with TiO2 nanoparticles. TiO2 -rGO was found to show about 150 times higher photocatalytic H-2 generation under 250 W UV-Visible light irradiation than pristine TiO2. In addition to this, TiO2 -rGO composite shows hydrogen production yield of 35 mu mol/h.g under visible light (lambda = 400 nm) irradiation. Thus gamma-radiolysis can be considered to be a viable technique, which helps in synthesizing photocatalytically active nanocomposite with high H-2 evolution rate. In the light of these interesting aspects, a detail investigation is carried out to study the effect of rGO concentration and illumination time on photocatalytic yield. Copyright (C) 2015, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved.

}, keywords = {gamma-radiolysis, H-2 production, Photocatalysis, Reduced graphene oxide, TiO2}, issn = {0360-3199}, doi = {10.1016/j.ijhydene.2015.02.102}, author = {Gupta, Bhavana and Melvin, Ambrose A. and Matthews, Tom and Dhara, S. and Dash, Sitaram and Tyagi, A. K.} } @article { ISI:000363916400006, title = {Feasibility of ionization-mediated pathway for ultraviolet-induced melanin damage}, journal = {Journal of Physical Chemistry B}, volume = {119}, number = {42}, year = {2015}, month = {OCT}, pages = {13288-13293}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Melanin is the pigment found in human skin that is responsible for both photoprotection and photodamage. Recently there have been reports that greater photodamage of DNA occurs when cells containing melanin are irradiated with ultraviolet (UV) radiation, thus suggesting that the photoproducts of melanin cause DNA damage. Photoionization processes have also been implicated in the photodegradation of melanin. However, not much is known about the oxidation potential of melanin and its monomers. In this work we calculate the ionization energies of monomers, dimers, and few oligomers of eumelanin to estimate the threshold energy required for the ionization of eumelanin. We find that this threshold is within the UV-B region for eumelanin. We also look at the charge and spin distributions of the various ionized states of the monomers that are formed to understand which of the ionization channels might favor monomerization from a covalent dimer.

}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.5b08750}, author = {Mandal, Mukunda and Das, Tamal and Grewal, Baljinder K. and Ghosh, Debashree} } @article { ISI: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 {45884, title = {Fluorescent probe for specific detection of cysteine in the lipid dense region of cells}, journal = {Chemical Communications}, volume = {51}, year = {2015}, month = {SEP}, pages = {16932-16935}, type = {Article}, abstract = {

A new cysteine (Cys) specific chemodosimetric reagent (ER-F) is used in imaging of endogenous Cys localized in the lipid dense region of the live Hct116 cells and the release of Cys within HepG2 cells from a drug following a biochemical transformation. A silica surface, modified with ER-F, could be used for quantitative estimation of Cys present in aqueous solution (pH 7.2) and in a human blood plasma (HBP).

}, issn = {1359-7345}, doi = {10.1039/c5cc07450a}, author = {Ali, Firoj and Anila, H. A. and Taye, Nandaraj and Gonnade, Rajesh G. and Chattopadhyay, Samit and Das, Amitava} } @article { ISI:000365532000008, title = {Fluorescent probes for the detection of cyanide ions in aqueous medium: cellular uptake and assay for beta-glucosidase and hydroxynitrile lyase}, journal = {Journal of Materials Chemistry B}, volume = {3}, number = {47}, year = {2015}, month = {OCT}, pages = {9148-9156}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A chemodosimteric reagent (1) for the efficient detection of cyanide species (CN- and/or HCN) in aq. medium as well as under physiological conditions has been described. Selective reaction of the cyanide species with this reagent in the presence of all common interfering anions, amino acids and glutathione (GSH) led to the generation of the corresponding cyanohydrin derivative. The formation of the cyanohydrin derivative of the probe is associated with a visually detectable change in solution fluorescence in aq. buffer medium with 1.9 mu M NaCN, the threshold limit set by WHO for the safe drinking water and this makes this fluorogenic sensor an ideal candidate for in-field applications. An apparent switch on the luminescence response, ultralow detection limit, low response time, cell membrane permeability and insignificant toxicity are key features of a probe molecule, which gives it a distinct edge over previously reported chemodosimetric reagents for the detection of cyanide species (CN- or HCN) in an aqueous environment. This methodology could be used for developing a generalized and efficient fluorescence-based assay for crucial enzymes like beta-glucosidase and hydroxynitrile lyase. Furthermore, spectrally-resolved fluorescence microscopy measurements on single-cells revealed that this sensor molecule could also be used for imaging the cellular uptake of cyanide species from aq. solution contaminated with NaCN. Our results confirmed that statistical analysis of integrated intensity and transition energy obtained from the emission spectra collected over various microscopic sub-cellular regions can potentially be used to discriminate the effects of local cellular environments and that due to cyanide detection.

}, issn = {2050-750X}, doi = {10.1039/c5tb01853f}, author = {Agarwalla, Hridesh and Gangopadhyay, Monalisa and Sharma, Dharmendar Kumar and Basu, Santanu Kumar and Jadhav, Sameer and Chowdhury, Arindam and Das, Amitava} } @article { ISI:000349061500011, title = {Formal syntheses of (2R,3R)-3-hydroxy pipecolic acid and (2R,3S)-3-hydroxy pipecolic acid from L-ascorbic acid}, journal = {Tetrahedron Letters}, volume = {56}, number = {6}, year = {2015}, month = {FEB}, pages = {805-807}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Formal syntheses of both cis and trans 3-hydroxy pipecolic acids is achieved from L-ascorbic acid. Present synthesis describes use of chiral pool approach in which epimerization, Staudinger reaction and Cyclization reactions were employed as key steps. (C) 2014 Elsevier Ltd. All rights reserved.

}, keywords = {3-Hydroxy pipecolic acid, cyclization, Epimerization, L-Ascorbic acid}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2014.12.103}, author = {Chavan, Subhash P. and Dumare, Nilesh B. and Pawar, Kailash P.} } @article { ISI:000363080800011, title = {Formal total synthesis of (-)-kumausallene}, journal = {Tetrahedron}, volume = {71}, number = {45}, year = {2015}, month = {NOV}, pages = {8577-8584}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Deacetylkumausyne-a penultimate intermediate in Tang{\textquoteright}s total synthesis of (-)-kumausallene has been synthesized employing a chiral pool approach and thus culminating in a formal total synthesis of kumausallene. The opening of an epoxide with alkyne (use of Birch reduction for the selective construction of E-pent-3-enyl group) and C-allylation have been used to introduce the pendant alkenyl side chains. Initial attempts to execute an alternative to Tang{\textquoteright}s route comprising a prior installation of the bromoallene unit via bromoetherification and subsequent S(N)2 displacement are unsuccessful. To overcome this, an alternative approach was developed to arrive at Deacetylkumausyne (another natural product that has been synthesized and characterized by Tang{\textquoteright}s group). Thus, this overall exercise has culminated in a formal total synthesis of (-)-kumausallene. (C) 2015 Elsevier Ltd. All rights reserved.

}, keywords = {Bis-THF natural products, Chiral pool, Deacetylkumausyne, Total synthesis, Wittig reaction}, issn = {0040-4020}, doi = {10.1016/j.tet.2015.09.027}, author = {Das, Shyamsundar and Ramana, Chepuri V.} } @article { ISI:000365462900005, title = {FRET-based probe for monitoring pH changes in lipid-dense region of Hct116 cells}, journal = {Organic Letters}, volume = {17}, number = {22}, year = {2015}, month = {NOV}, pages = {5532-5535}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

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

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

}, issn = {2045-2322}, doi = {10.1038/srep10095}, author = {Srivastava, Prabhakar Lal and Daramwar, Pankaj P. and Krithika, Ramakrishnan and Pandreka, Avinash and Shankar, S. Shiva and Thulasiram, Hirekodathakallu V.} } @article { ISI:000358630800013, title = {Genotype x environment interactions and QTL clusters underlying dough rheology traits in triticum aestivum L.}, journal = {Journal of Cereal Science}, volume = {64}, year = {2015}, month = {JUL}, pages = {82-91}, publisher = {ACADEMIC PRESS LTD- ELSEVIER SCIENCE LTD}, address = {24-28 OVAL RD, LONDON NW1 7DX, ENGLAND}, abstract = {

Genetic dissection of dough rheology traits (DRT) in hexaploid wheat was carried out using nine mixograph characters evaluated in two consecutive years in three agro-climatic zones in India in an RIL population (HI977 x HD2329). Pearson correlations determined in each year-location indicated 15 stable trait inter-relationships among them but inconsistent correlations with loaf volume (LV) were observed. Using AMMI analysis we derived patterns in G x E interactions (GEI) indicating 6-47\% contribution for the DRT. Composite interval mapping using a linkage map of 202 SSR markers identified 144 DRT QTLs of which, 96 were detected in single- and the rest in two to five year-locations. Sixteen QTL clusters located on ten chromosomes were identified and only three of them on chromosomes 1B, 5B and 6D involved LV QTLs. For each trait, majority of the DRT QTLs detected in single as well as multiple environments showed location-specificity and suggested that owing to GEI, breeding for wheat dough quality might need careful selection of QTLs targeted for individual agro-climatic zones. The inconsistent correlations of DRT and LV and differential locations of their QTLs in this population corroborated that using dough rheological traits alone to predict LV might pose challenges during wheat improvement. (C) 2015 Elsevier Ltd. All rights reserved.

}, keywords = {AMMI analysis, Dough rheology, Mixograph, QTL}, issn = {0733-5210}, doi = {10.1016/j.jcs.2015.05.002}, author = {Prashant, Ramya and Mani, Elangovan and Rai, Richa and Gupta, R. K. and Tiwari, Ratan and Dholakia, Bhushan B. and Oak, Manoj and Roeder, Marion and Kadoo, Narendra Y. and Gupta, Vidya} } @article { ISI:000358512200094, title = {Green approach for the decoration of Pd nanoparticles on graphene nanosheets: an in situ process for the reduction of C-C double bonds and a reusable catalyst for the suzuki cross-coupling reaction}, journal = {New Journal of Chemistry}, volume = {39}, number = {8}, year = {2015}, month = {JUN}, pages = {6631-6641}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A new strategy for in situ synthesis of palladium nanoparticles (Pd NPs) decorated on reduced graphene oxide (rGO) nanosheets with controlled size and shape is reported. This strategy was designed as three processes in one pot, namely, (a) reduction of graphene oxide, (b) formation of Pd NPs on the rGO nanosheets and (c) simultaneous reduction of olefin. In this synthesis process, a hydrogen atmosphere was used to develop the Pd NPs-rGO nanocatalyst, which is reusable and easily separable. The influence of the size and morphology of the Pd-rGO-H-2 catalyst on the catalytic activity in the Suzuki cross-coupling reaction was investigated by comparing with other catalysts, Pd-rGO-As and Pd-rGO-Gl, and they were synthesized by different reducing agents, ascorbic acid and glucose, respectively. The catalysts were characterized by electron microscopy (HRTEM, SEM), FT-IR, XRD and XPS. The Pd-rGO-H-2 catalyst was found to possess excellent catalytic activity and recyclability in the Suzuki cross-coupling reaction under mild reaction conditions.

}, issn = {1144-0546}, doi = {10.1039/c5nj01221j}, author = {Hussain, Najrul and Borah, Ashwini and Darabdhara, Gitashree and Gogoi, Pranjal and Azhagan, Muniraj Vedi Kuyil and Shelke, Manjusha V. and Das, Manash R.} } @article { ISI:000348937900068, title = {Green synthesis of stable Cu(0) nanoparticles onto reduced graphene oxide nanosheets: a reusable catalyst for the synthesis of symmetrical biaryls from arylboronic acids under base-free conditions}, journal = {Catalysis Science \& Technology}, volume = {5}, number = {2}, year = {2015}, month = {NOV}, pages = {1251-1260}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Highly stable Cu(0) nanoparticles were synthesized on reduced graphene oxide (rGO) sheets using a cost-effective and green method. The synthesized Cu(0)-nanoparticle-rGO composites exhibit excellent catalytic activity for the synthesis of symmetrical biaryls from arylboronic acids under microwave irradiation. The reaction proceeds smoothly in base-free conditions with easy recovery and reuse of the catalyst. The methodology is compatible with various functional groups and provides an attractive protocol for the synthesis of symmetrical biaryls with very good yields. HRTEM, XPS and XRD analyses showed the catalyst to be recyclable. The Cu(0) nanoparticles are stable in the rGO nanosheets, and the particle size distribution and oxidation state of the Cu(0) nanoparticle remain the same after performing the chemical reaction.

}, issn = {2044-4753}, doi = {10.1039/c4cy01229a}, author = {Hussain, Najrul and Gogoi, Pranjal and Azhagan, Muniraj Vedi Kuyil and Shelke, Manjusha V. and Das, Manash R.} } @article { ISI:000349434300057, title = {Hierarchical CdS nanostructure by Lawesson{\textquoteright}s reagent and its enhanced photocatalytic hydrogen production}, journal = {RSC Advances}, volume = {5}, number = {18}, year = {2015}, month = {JAN}, pages = {13715-13721}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Lawesson{\textquoteright}s reagent (LR) has been effectively exploited for the synthesis of hierarchical architectures of cadmium sulphide (CdS) nanostructures for the first time. The X-ray diffractograms of the as synthesised CdS nanostructures confirm the formation of hexagonal CdS. The broadness of the XRD peaks clearly indicates the nanocrystalline nature of CdS with average crystallite size of 4 nm. A FESEM study revealed the formation of hierarchical nanostructures, whereas a TEM study showed that the hierarchical arrangement is composed of nanosized CdS particles. A band-gap i.e. 2.4 eV was derived from diffuse reflectance spectroscopy. The photoluminescence spectrum showed an emission peak at 535 and 568 nm which can be attributed to band-edge emission and surface emissions or possible metal vacancies, respectively. Considering the band-gap within the visible region, the photocatalytic hydrogen evolution performance of these CdS nanostructures was performed under visible light irradiation from hydrogen sulphide and water, respectively. Utmost hydrogen evolution i.e. 14 136 mu mol h(-1) g(-1) and 2065 mu mol h(-1) g(-1) was observed over a naked CdS nanostructure via H2S and water decomposition, respectively. The amount of hydrogen obtained by H2S splitting is much higher as compared to earlier reports.

}, issn = {2046-2069}, doi = {10.1039/c4ra15138k}, author = {Pandit, Vikram U. and Arbuj, Sudhir S. and Hawaldar, Ranjit R. and Kshirsagar, Pradnya V. and Deshmukh, Amarsinh J. and Ambekar, Jalindar D. and Mulik, Uttam P. and Gosavi, Suresh W. and Kale, Bharat B.} } @article { ISI: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:000366006300012, title = {Hydrogen bond and ligand dissociation dynamics in fluoride sensing of Re(I)-polypyridyl complex}, journal = {Journal of Physical Chemistry B}, volume = {119}, number = {47}, year = {2015}, month = {NOV}, pages = {14952-14958}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Hydrogen bonding interaction plays an essential role in the early phases of molecular recognition and colorimetric sensing of various anions in aprotic media. In this work, the host-guest interaction between fac-[Re(CO)(3)Cl(L)] with L = 4-([2,2{\textquoteright}-bipyridin]-4-yl)phenol and fluoride ions is investigated for the hydrogen bond dynamics and the changing local coordination environment. The stoichiometric studies using H-1 NMR and ESI-MS spectroscopies have shown that proton transfer in the H-bonded phenol-fluoride complex activates the dissociation of the CO ligand in the Re(I) center. The phenol-to-phenolate conversion during formation of HF2- ion induces nucleophilic lability of the CO ligand which is probed by intraligand charge transfer (ILCT) and ligand-to-metal charge transfer (LMCT) transitions in transient absorption spectroscopy. After photoexcitation, phenol-phenoxide conversion rapidly equilibrates in 280 fs time scale and the ensuing excited state [ReII(bpy(center dot-)-phenolate(-))(CO)(3)Cl]* undergoes CO dissociation in the ultrafast time scale of similar to 3 ps. A concerted mechanism of hydrogen cleavage and coordination change is established in anion sensing studies of the rhenium complex.

}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.5b09227}, author = {Verma, Sandeep and Aute, Sunil and Das, Amitava and Ghosh, Hirendra N.} } @article { ISI:000351551800013, title = {Hysteretic DC electrowetting by field-induced nano-structurations on polystyrene films}, journal = {Soft Matter}, volume = {11}, number = {13}, year = {2015}, month = {FEB}, pages = {2655-2664}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Electrowetting (EW) offers executive wetting control of conductive liquids on several polymer surfaces. We report a peculiar electrowetting response for aqueous drops on a polystyrene (PS) dielectric surface in the presence of silicone oil. After the first direct current (DC) voltage cycle, the droplet failed to regain Young{\textquoteright}s angle, yielding contact angle hysteresis, which is close to a value found in ambient air. We conjecture that the hysteretic EW response appears from in situ surface modification using electric field induced water-ion contact with PS surface inducing nano-structuration by electro-hydrodynamic (EHD) instability. Atomic force microscopy confirms the formation of nano-structuration on the electrowetted surface. The effects of molecular weight, applied electric field, water conductivity and pH on nano-structuration are studied. Finally, the EW based nano-structuration on PS surface is used for the enhanced loading of aqueous dyes on hydrophobic surfaces.

}, issn = {1744-683X}, doi = {10.1039/c5sm00007f}, author = {Sawane, Yogesh B. and Datar, Suwarna and Ogale, Satishchandra B. and Banpurkar, Arun G.} } @proceedings {43399, title = {Influence of macromolecular architecture on necking in polymer extrusion film casting process}, volume = {1664}, year = {2015}, month = {JUN}, pages = {Article Number: 080006}, publisher = {American Institute of Physics, 2 Huntington Quadrangle, STE 1No1, Melville, NY 11747-4501 USA}, address = {Cleveland, OH}, abstract = {

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

}, doi = {10.1063/1.4918462}, author = {Pol, Harshawardhan V. and Banik, Sourya and Azad, Lal Busher and Thete, Sumeet and Doshi, Pankaj and Lele, Ashish} } @article { ISI:000361424000014, title = {Insertion copolymerization of difunctional polar vinyl monomers with ethylene}, journal = {ACS Macro Letters}, volume = {4}, number = {9}, year = {2015}, month = {SEP}, pages = {933-937}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A single-step synthesis, structural characterization and application of a neutral, acetonitrile ligated, palladium-phosphinesulfonate complex [{P\<\^\>O}PdMe(L)] (P\<\^\>O = K-2-P,O Ar2PC6H4SO2O with Ar = 2-MeOC6H4; L = CH3CN) (3) in coordination/insertion copolymerization of ethylene with difunctional olefin is investigated. In a significant development, complex 3 was found to catalyze insertion copolymerization of industrially relevant 1,1-disubstituted difunctional vinyl monomers for the first time. Thus, insertion copolymerization of ethyl-2-cyanoacrylate (ECA or super glue) and trifluoromethyl acrylic acid (TFMAA) with ethylene produced the corresponding copolymers with 6.5\% ECA and 3\% TFMAA incorporation. Increasing the concentration of difunctional olefins led to higher incorporation but at the expense of lower activities. These observations indicate that complex 3 tolerates difunctional vinyl monomers and provides direct access to difunctional polyolefins that have not been attempted before.

}, issn = {2161-1653}, doi = {10.1021/acsmacrolett.5b00562}, author = {Gaikwad, Shahaji R. and Deshmukh, Satej S. and Gonnade, Rajesh G. and Rajamohanan, P. R. and Chikkali, Samir H.} } @article { ISI:000360313500013, title = {Interlinked population balance and cybernetic models for the simultaneous saccharification and fermentation of natural polymers}, journal = {Biotechnology and Bioengineering}, volume = {112}, number = {10}, year = {2015}, month = {OCT}, pages = {2084-2105}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Simultaneous Saccharification and Fermentation (SSF) is a process where microbes have to first excrete extracellular enzymes to break polymeric substrates such as starch or cellulose into edible nutrients, followed by in situ conversion of those nutrients into more valuable metabolites via fermentation. As such, SSF is very attractive as a one-pot synthesis method of biological products. However, due to the co-existence of multiple biochemical steps, modeling SSF faces two major challenges. The first is to capture the successive chain-end and/or random scission of the polymeric substrates over time, which determines the rate of generation of various fermentable substrates. The second is to incorporate the response of microbes, including their preferential substrate utilization, to such a complex broth. Each of the above-mentioned challenges has manifested itself in many related areas, and has been competently but separately attacked with two diametrically different tools, i.e., the Population Balance Modeling (PBM) and the Cybernetic Modeling (CM), respectively. To date, they have yet to be applied in unison on SSF resulting in a general inadequacy or haphazard approaches to examine the dynamics and interactions of depolymerization and fermentation. To overcome this unsatisfactory state of affairs, here, the general linkage between PBM and CM is established to model SSF. A notable feature is the flexible linkage, which allows the individual PBM and CM models to be independently modified to the desired levels of detail. A more general treatment of the secretion of extracellular enzyme is also proposed in the CM model. Through a case study on the growth of a recombinant Saccharomyces cerevisiae capable of excreting a chain-end scission enzyme (glucoamylase) on starch, the interlinked model calibrated using data from the literature (Nakamura et al., Biotechnol. Bioeng. 53:21-25, 1997), captured features not attainable by existing approaches. In particular, the effect of various enzymatic actions on the temporal evolution of the polymer distribution and how the microbes respond to the diverse polymeric environment can be studied through this framework. Biotechnol. Bioeng. 2015;112: 2084-2105. (c) 2015 Wiley Periodicals, Inc.

}, keywords = {cybernetic modeling, population balance modeling, simultaneous saccharification and fermentation}, issn = {0006-3592}, doi = {10.1002/bit.25616}, author = {Ho, Yong Kuen and Doshi, Pankaj and Yeoh, Hak Koon and Ngoh, Gek Cheng} } @article { ISI:000349069300003, title = {Ionic conductivity probed in main chain liquid crystalline azobenzene polyesters}, journal = {Journal of Polymer Science Part A-Polymer Chemistry}, volume = {53}, number = {5}, year = {2015}, month = {MAR}, pages = {629-641}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Three main chain thermotropic liquid crystalline (LC) azobenzene polymers were synthesized using the azobenzene twin molecule (P4P) having the structure Phenylazobenzene-tetraethyleneglycol-Phenylazobenzene as the AA monomer and diols like diethylene glycol, tetraethylene glycol (TEG), and hexaethylene glycol as the BB comonomer. Terminal C(O)OMe units on P4P facilitated transesterification with diols to form polyesters. All polymers exhibited stable smectic mesophases. One of the polymers, Poly(P4PTEG) was chosen to prepare composite polymer electrolytes with LiCF3SO3 and ionic conductivity was measured by ac impedance spectroscopy. The polymer/0.3 Li salt complex exhibited a maximum ionic conductivity in the range of 10(-5) S cm(-1) at room temperature (25 degrees C), which increased to 10(-4) S cm(-1) above 65 degrees C. The temperature dependence of ionic conductivity was compared with the phase transitions occurring in the sample and it was observed that the glass transition had a higher influence on the ionic conductivity compared to the ordered LC phase. Reversible ionic conductivity switching was observed upon irradiation of the polymer/0.3 Li salt complex with alternate UV and visible irradiation. (c) 2014 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2015, 53, 629-641

}, keywords = {azo polymers, glass transition, liquid-crystalline polymers (LCP)}, issn = {0887-624X}, doi = {10.1002/pola.27484}, author = {Nardele, Chinmay G. and Dhavale, Vishal M. and Sreekumar, K. and Asha, S. K.} } @article { ISI:000354378200018, title = {Iron superoxide dismutases in eukaryotic pathogens: new insights from apicomplexa and trypanosoma structures}, journal = {Acta Crystallographica Section F-Structural Biology Communications}, volume = {71}, number = {5, SI}, year = {2015}, month = {MAY}, pages = {615-621}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Prior studies have highlighted the potential of superoxide dismutases as drug targets in eukaryotic pathogens. This report presents the structures of three iron-dependent superoxide dismutases (FeSODs) from Trypanosoma cruzi, Leishmania major and Babesia bovis. Comparison with existing structures from Plasmodium and other trypanosome isoforms shows a very conserved overall fold with subtle differences. In particular, structural data suggest that B. bovis FeSOD may display similar resistance to peroxynitrite-mediated inactivation via an intramolecular electron-transfer pathway as previously described in T. cruzi FeSOD isoform B, thus providing valuable information for structure-based drug design. Furthermore, lysine-acetylation results in T. cruzi indicate that acetylation occurs at a position close to that responsible for the regulation of acetylation-mediated activity in the human enzyme.

}, keywords = {Apicomplexa, iron superoxide dismutase, Trypanosoma}, issn = {1744-3091}, doi = {10.1107/S2053230X15004185}, author = {Phan, Isabelle Q. H. and Davies, Douglas R. and Moretti, Nilmar Silvio and Shanmugam, Dhanasekaran and Cestari, Igor and Anupama, Atashi and Fairman, James W. and Edwards, Thomas E. and Stuart, Kenneth and Schenkman, Sergio and Myler, Peter J.} } @article { ISI:000347513400044, title = {Lignin depolymerization into aromatic monomers over solid acid catalysts}, journal = {ACS Catalysis}, volume = {5}, number = {1}, year = {2015}, month = {JAN}, pages = {365-379}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

It is imperative to develop an efficient and environmentally benign pathway to valorize profusely available lignin, a component of nonedible lignocellulosic materials, into value-added aromatic monomers, which can be used as fuel additives and platform chemicals. To convert lignin, earlier studies used mineral bases (NaOH, CsOH) or supported metal catalysts (Pt, Ru, Pd, Ni on C, SiO2, Al2O3, etc.) under a hydrogen atmosphere, but these methods face several drawbacks such as corrosion, difficulty in catalyst recovery, sintering of metals, loss of activity, etc. Here we show that under an inert atmosphere various solid acid catalysts can efficiently convert six different types of lignins into value-added aromatic monomers. In particular, the SiO2Al2O3 catalyst gave exceptionally high yields of ca. 60\% for organic solvent soluble extracted products with 95 +/- 10\% mass balance in the depolymerization of dealkaline lignin, bagasse lignin, and ORG and EORG lignins at 250 degrees C within 30 min. GC, GC-MS, HPLC, LC-MS, and GPC analysis of organic solvent soluble extracted products confirmed the formation of aromatic monomers with ca. 90\% selectivity. In the products, confirmation of retention of aromatic nature as present in lignin and the appearance of several functional groups has been carried out by FT-IR and H-1 and C-13 NMR studies. Further, isolation of major products by column chromatography was carried out to obtain aromatic monomers in pure form and their characterization by NMR is presented. A detailed characterization of six different types of lignins obtained from various sources helped in substantiating the catalytic results obtained in these reactions. A meticulous study on fresh and spent catalysts revealed that the amorphous catalysts are preferred to obtain reproducible catalytic results.

}, keywords = {aromatic monomers, Biomass, column chromatography, depolymerization, lignin, solid acid catalysts}, issn = {2155-5435}, doi = {10.1021/cs501371q}, author = {Deepa, Ayillath K. and Dhepe, Paresh Laxmikant} } @article { ISI:000368224600009, title = {Lithium-assisted proton conduction at 150 degrees C in a microporous triazine-phenol polymer}, journal = {Advanced Materials Interfaces}, volume = {2}, number = {16}, year = {2015}, month = {NOV}, pages = {1500301}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, keywords = {conduction, hydrophobic polar frameworks, lithiated polymers, proton conduction, triazine-phenol polymers}, issn = {2196-7350}, doi = {10.1002/admi.201500301}, author = {Nandi, Shyamapada and Dhavale, Vishal M. and Shalini, Sorout and Werner-Zwanziger, Ulrike and Singh, Harpreet and Kurungot, Sreekumar and Vaidhyanathan, Ramanathan} } @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 {45879, title = {Low surface energy plane exposed co3o4 nanocubes supported on nitrogen-doped graphene as an electrocatalyst for efficient water oxidation}, journal = {ACS Applied Materials \& Interfaces}, volume = {7}, year = {2015}, month = {JAN }, pages = {442-451}, type = {Article}, issn = {1944-8244}, doi = {10.1021/am506450c}, author = {Singh, Santosh K. and Dhavale, Vishal M. and Kurungot, Sreekumar} } @article { ISI:000355656000013, title = {Low-temperature sintering and microwave dielectric properties of Zn2SiO4 ceramic added with crystalline zinc borate}, journal = {Journal of Electronic Materials}, volume = {44}, number = {7}, year = {2015}, month = {JUL}, pages = {2312-2320}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

The physical and dielectric properties of composites of known microwave materials, Zn2SiO4 and Zn3B2O6, prepared by solid-state reaction, were investigated with the purpose of developing a low-loss dielectric material for low-temperature co-fired ceramic applications. An off-stoichiometric phase of Zn2SiO4 with extra SiO2 was used to avoid the occurrence of unreacted ZnO. During sintering, zinc borate was found to partially react with residual SiO2 to form Zn2SiO4. The residual zinc borate was converted to a boron-rich glassy phase which helped to reduce the sintering temperature of the composite. Good relative sintering density (\> 90\%) at temperatures below the melting temperature of zinc borate is indicative of a sintering mechanism of diffusion-based mass transfer. Composites containing 15 wt.\% zinc borate, 2.5 wt.\% lithium carbonate and 20 wt.\% zinc borate in zinc silicate had dielectric constants of 6.8 and 6.1, quality factors (Qxf) of 48,800 and 94,300 GHz when sintered at 900A degrees C and 950A degrees C, respectively. These quality factor results are close to the best values reported for zinc silicate at these sintering temperatures.

}, keywords = {dielectric constant, LTCC, quality factor, sintering density, zinc borate, zinc silicate}, issn = {0361-5235}, doi = {10.1007/s11664-015-3762-0}, author = {Chaware, Varsha and Deshmukh, Ravindra and Sarode, Chetan and Gokhale, Suresh and Phatak, Girish} } @article { ISI:000359234100023, title = {M-Au/TiO2 (M = Ag, Pd, and Pt) nanophotocatalyst for overall solar water splitting: role of interfaces}, journal = {Nanoscale}, volume = {7}, number = {32}, year = {2015}, month = {JUL}, pages = {13477-13488}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

M-Au/TiO2 (M = Ag, Pd, Pt) composites were prepared through a facile one-pot photodeposition synthesis and evaluated for solar water splitting (SWS) with and without a sacrificial agent. The M-Au combination exhibits a dominant role in augmenting the H2 generation activity by forming a bi-metallic system. Degussa P25 was used as a TiO2 substrate to photodeposit Au followed by Au + M (M = Ag/Pd/Pt). The SWS activity of the M-Au/TiO2 was determined through photocatalytic H-2 production in the presence of methanol as a sacrificial agent under one sun conditions with an AM1.5 filter. The highest H-2 yield was observed for Pt-0.5-Au-1/TiO2 and was around 1.3 +/- 0.07 mmol h(-1) g(-1), with an apparent quantum yield (AQY) of 6.4\%. Pt-0.5-Au-1/TiO2 also demonstrated the same activity for 25 cycles of five hours each for 125 h. Critically, the same Pt-0.5-Au-1/TiO2 catalyst was active in overall SWS (OSWS) without any sacrificial agent, with an AQY = 0.8\%. The amount of Au and/or Pt was varied to obtain the optimum composition and it was found that the Pt0.5-Au1/TiO2 composition exhibits the best activity. Detailed characterization by physico-chemical, spectral and microscopy measurements was carried out to obtain an in-depth understanding of the origin of the photocatalytic activity of Pt-0.5-Au-1/TiO2. These in-depth studies show that gold interacts predominantly with oxygen vacancies present on titania surfaces, and Pt preferentially interacts with gold for an effective electron-hole pair separation at Pt-Au interfaces and electron storage in metal particles. The Pt in Pt-0.5-Au-1/TiO2 is electronically and catalytically different from the Pt in Pt/TiO2 and it is predicted that the former suppresses the oxygen reduction reaction.

}, issn = {2040-3364}, doi = {10.1039/c5nr03735b}, author = {Melvin, Ambrose A. and Illath, Kavya and Das, Tanmay and Raja, Thirumalaiswamy and Bhattacharyya, Somnath and Gopinath, Chinnakonda S.} } @article { ISI:000367118100023, title = {Mechanism of alcohol oxidation by Fe-V(O) at room temperature}, journal = {Inorganic Chemistry}, volume = {54}, number = {24}, year = {2015}, month = {DEC}, pages = {11792-11798}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

{Selective oxidation of alcohol to its corresponding carbonyl compound is an important chemical process in biological as well as industrial reactions, The heme containing enzyme CytP450 has been known to selectively oxidize akohols to their corresponding carbonyl compounds. The mechanism of this reaction, which involves high-valent Fe-IV(O)-porphyrin(center dot+) intermediate with alcohol, has been well-studied extensively both with the native enzyme and with model complexes. In this paper, we report for the first time the mechanistic insight of, alcohol oxidation with Fe-V(O) complex of biuret TAML (bTAML), Which is isoelectronic with Fe-IV(O)-porphyrin(center dot+) intermediate form in CytP450. The oxidations displayed saturation kinetics, which allowed us to determine both the binding constants and first-order rate constants for the reaction. The K and k values observed for thel oxidation of benzyl alcohol by Fe-V(O) at room temperature (K = 300 M-1

}, issn = {0020-1669}, doi = {10.1021/acs.inorgchem.5b01937}, author = {Ghosh, Munmun and Nikhil, Y. L. K. and Dhar, Basab B. and Sen Gupta, Sayam} } @article { ISI:000357705800012, title = {Mechanism of oxygen atom transfer from Fe-V(O) to olefins at room temperature}, journal = {Inorganic Chemistry}, volume = {54}, number = {13}, year = {2015}, month = {JUL}, pages = {6112-6121}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

In biological oxidations, the intermediate Fe-V(0)(OH) has been proposed to be the active species for catalyzing the epoxidation of alkenes by nonheme iron complexes. However, no study has been reported yet that elucidates the mechanism of direct O-atom transfer during the reaction of Fe-V(0) with alkenes to form the corresponding epoxide. For the first time, we study the mechanism of O-atom transfer to alkenes using the Fe-V(0) complex of biuret-modified Fe-TAML at room temperature. The second-order rate constant (k(2)) for the reaction of different alkenes with Fe-V(0) was determined under single-turnover conditions. An 8000-fold rate difference was found between electron-rich (4-methoxystyrene; k(2) = 216 M-1 s(-1)) and electron-deficient (methyl transcinnamate; k(2) = 0.03 M-1 s(-1)) substrates. This rate difference indicates the electrophilic character of Fe-V(0). The use of cis-stilbene as a mechanistic probe leads to the formation of both cis- and trans-stilbene epoxides (73:27). This suggests the formation of a radical intermediate, which would allow C-C bond rotation to yield both stereoisomers of stilbene-epoxide. Additionally, a Hammett rho value of -0.56 was obtained for the para-substituted styrene derivatives. Detailed DFT calculations show that the reaction proceeds via a two-step process through a doublet spin surface. Finally, using biuret-modified Fe-TAML as the catalyst and NaOCl as the oxidant under catalytic conditions epoxide was formed with modest yields and turnover numbers.

}, issn = {0020-1669}, doi = {10.1021/ic503053q}, author = {Singh, Kundan K. and Tiwari, Mrityunjay K. and Dhar, Basab B. and Vanka, Kumar and Sen Gupta, Sayam} } @conference {42970, title = {Mechanistic understanding of rapid gelation of silk fibroin using a biosurfactant {\textendash} sophorolipid}, booktitle = {National Science Day, At CSIR-NCL}, year = {2015}, month = {FEB}, address = {National Chemical Laboratory, Pune India}, abstract = {

3D polymeric hydrogels find use in biomedical applications as scaffolds and drug delivery vehicle {\textbullet} Silk fibroin a structural protein is a promising candidate (excellent thermo-mechanicals, biocompatibility, biodegradability) {\textbullet} Sophorolipid (SL)-a biosurfactant is known to exhibit antimicrobial, anti cancerous and cell differentiating. {\textbullet} Use of SL as gelling agent can enhance the applicability of SF hydrogels {\textbullet} SF-SL scaffolds obtained by lyophilization of hydrogels can find application in tissue regeneration

}, author = {Dubey, Parul and Nawale, Laxman and Sarkar, Dhiman and Nisal, Anuya and Prabhune, Asmita} } @article { ISI:000357438200013, title = {Metabolic profiling of chickpea-Fusarium interaction identifies differential modulation of disease resistance pathways}, journal = {Phytochemistry}, volume = {116}, year = {2015}, month = {AUG}, pages = {120-129}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Chickpea is the third most widely grown legume in the world and mainly used as a vegetarian source of human dietary protein. Fusarium wilt, caused by Fusarium oxysporum f. sp. ciceri (Foc), is one of the major threats to global chickpea production. Host resistance is the best way to protect crops from diseases; however, in spite of using various approaches, the mechanism of Foc resistance in chickpea remains largely obscure. In the present study, non-targeted metabolic profiling at several time points of resistant and susceptible chickpea cultivars using high-resolution liquid chromatography-mass spectrometry was applied to better understand the mechanistic basis of wilt resistance or susceptibility. Multivariate analysis of the data (OPLS-DA) revealed discriminating metabolites in chickpea root tissue after Foc inoculation such as flavonoids, isoflavonoids, alkaloids, amino acids and sugars. Foc inoculated resistant plants had more flavonoids and isoflavonoids along with their malonyl conjugates. Many antifungal metabolites that were induced after Foc infection viz, aurantion-obstine beta-glucosides and querecitin were elevated in resistant cultivar. Overall, diverse genetic and biochemical mechanisms were operational in the resistant cultivar for Foc defense as compared to the susceptible plant. The resistant chickpea plants employed the above-mentioned metabolic pathways as potential defense strategy against Foc. (C) 2015 Elsevier Ltd. All rights reserved.

}, keywords = {Chickpea, Fusarium wilt, LC-MS, Metabolomics, OPLS-DA, Phytoalexin}, issn = {0031-9422}, doi = {10.1016/j.phytochem.2015.04.001}, author = {Kumar, Yashwant and Dholakia, Bhushan B. and Panigrahi, Priyabrata and Kadoo, Narendra Y. and Giri, Ashok P. and Gupta, Vidya S.} } @article { ISI:000360873600007, title = {Microbacterium enclense sp nov., isolated from sediment sample}, journal = {International Journal of Systematic and Evolutionary Microbiology}, volume = {65}, number = {7}, year = {2015}, month = {JUL}, pages = {2064-2070}, publisher = {SOC GENERAL MICROBIOLOGY}, address = {MARLBOROUGH HOUSE, BASINGSTOKE RD, SPENCERS WOODS, READING RG7 1AG, BERKS, ENGLAND}, abstract = {

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

}, issn = {1466-5026}, doi = {10.1099/ijs.0.000221}, author = {Mawlankar, Rahul R. and Mual, Poonam and Sonalkar, Vidya V. and Thorat, Meghana N. and Verma, Ashish and Srinivasan, Krishnamurthi and Dastager, Syed Gulam} } @article {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:000351933600106, title = {Molecular dynamics study of model SI clathrate hydrates: the effect of guest size and guest-water interaction on decomposition kinetics}, journal = {Physical Chemistry Chemical Physics}, volume = {17}, number = {14}, year = {2015}, month = {FEB}, pages = {9509-9518}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

One of the options suggested for methane recovery from natural gas hydrates is molecular replacement of methane by suitable guests like CO2 and N-2. This approach has been found to be feasible through many experimental and molecular dynamics simulation studies. However, the long term stability of the resultant hydrate needs to be evaluated; the decomposition rate of these hydrates is expected to depend on the interaction between these guest and water molecules. In this work, molecular dynamics simulation has been performed to illustrate the effect of guest molecules with different sizes and interaction strengths with water on structure I (SI) hydrate decomposition and hence the stability. The van der Waals interaction between water of hydrate cages and guest molecules is defined by Lennard Jones potential parameters. A wide range of parameter spaces has been scanned by changing the guest molecules in the SI hydrate, which acts as a model gas for occupying the small and large cages of the SI hydrate. All atomistic simulation results show that the stability of the hydrate is sensitive to the size and interaction of the guest molecules with hydrate water. The increase in the interaction of guest molecules with water stabilizes the hydrate, which in turn shows a slower rate of hydrate decomposition. Similarly guest molecules with a reasonably small (similar to Helium) or large size increase the decomposition rate. The results were also analyzed by calculating the structural order parameter to understand the dynamics of crystal structure and correlated with the release rate of guest molecules from the solid hydrate phase. The results have been explained based on the calculation of potential energies felt by guest molecules in amorphous water, hydrate bulk and hydrate-water interface regions.

}, issn = {1463-9076}, doi = {10.1039/c5cp00678c}, author = {Das, Subhadip and Baghel, Vikesh Singh and Roy, Sudip and Kumar, Rajnish} } @article { ISI:000369637800040, title = {Myroides indicus sp nov., isolated from garden soil}, journal = {International Journal of Systematic and Evolutionary Microbiology}, volume = {65}, number = {11}, year = {2015}, month = {NOV}, pages = {4008-4012}, publisher = {SOC GENERAL MICROBIOLOGY}, address = {MARLBOROUGH HOUSE, BASINGSTOKE RD, SPENCERS WOODS, READING RG7 1AG, BERKS, ENGLAND}, abstract = {

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

}, issn = {1466-5026}, doi = {10.1099/ijsem.0.000530}, author = {Ram, Hari and Kumar, Alok and Thomas, Lebin and Dastager, Syed Gulam and Mawlankar, Rahul R. and Singh, Ved Pal} } @article { ISI:000365530700031, title = {Nanocrystalline Fe-Fe2O3 particle-deposited N-doped graphene as an activity-modulated Pt-free electrocatalyst for oxygen reduction reaction}, journal = {Nanoscale}, volume = {7}, number = {47}, year = {2015}, month = {OCT}, pages = {20117-20125}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The size-controlled growth of nanocrystalline Fe-Fe2O3 particles (2-3 nm) and their concomitant dispersion on N-doped graphene (Fe-Fe2O3/NGr) could be attained when the mutually assisted redox reaction between NGr and Fe3+ ions could be controlled within the aqueous droplets of a water-in-oil emulsion. The synergistic interaction existing between Fe-Fe2O3 and NGr helped the system to narrow down the overpotential for the oxygen reduction reaction (ORR) by bringing a significant positive shift to the reduction onset potential, which is just 15 mV higher than its Pt-counterpart. In addition, the half-wave potential (E-1/2) of Fe-Fe2O3/NGr is found to be improved by a considerable amount of 135 mV in comparison to the system formed by dispersing Fe-Fe2O3 nanoparticles on reduced graphene oxide (Fe-Fe2O3/RGO), which indicates the presence of a higher number of active sites in Fe-Fe2O3/NGr. Despite this, the ORR kinetics of Fe-Fe2O3/NGr are found to be shifted significantly to the preferred 4-electron-transfer pathway compared to NGr and Fe-Fe2O3/RGO. Consequently, the H2O2\% was found to be reduced by 78.3\% for Fe-Fe2O3/NGr (13.0\%) in comparison to Fe-Fe2O3/RGO (51.2\%) and NGr (41.0\%) at -0.30 V (vs. Hg/HgO). This difference in the yield of H2O2 formed between the systems along with the improvements observed in terms of the oxygen reduction onset and E-1/2 in the case of Fe-Fe2O3/NGr reveals the activity modulation achieved for the latter is due to the coexistence of factors such as the presence of the mixed valancies of iron nanoparticles, small size and homogeneous distribution of Fe-Fe2O3 nanoparticles and the electronic modifications induced by the doped nitrogen in NGr. A controlled interplay of these factors looks like worked favorably in the case of Fe-Fe2O3/NGr. As a realistic system level validation, Fe-Fe2O3/NGr was employed as the cathode electrode of a single cell in a solid alkaline electrolyte membrane fuel cell (AEMFC). The system could display an open circuit voltage (OCV) of 0.73 V and maximum power and current densities of 54.40 mW cm(-2) and 200 mA cm(-2), respectively, which are comparable to the performance characteristics of a similar system derived by using 40 wt\% Pt/C as the cathode electrode.

}, issn = {2040-3364}, doi = {10.1039/c5nr04929f}, author = {Dhavale, Vishal M. and Singh, Santosh K. and Nadeema, Ayasha and Gaikwad, Sachin S. and Kurungot, Sreekumar} } @article { ISI: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:000360658000003, title = {New imaging reagents for lipid dense regions in live cells and the nucleus in fixed MCF-7 cells}, journal = {Journal of Materials Chemistry B}, volume = {3}, number = {36}, year = {2015}, month = {AUG}, pages = {7177-7185}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

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

}, issn = {2050-750X}, doi = {10.1039/c5tb01309g}, author = {Ramu, Vadde and Ali, Firoj and Taye, Nandaraj and Garai, Bikash and Alam, Aftab and Chattopadhyay, Samit and Das, Amitava} } @article { ISI:000349018100016, title = {New scheme for perturbative triples correction to (0,1) sector of Fock space multi-reference coupled cluster method: Theory, implementation, and examples}, journal = {Journal of Chemical Physics}, volume = {142}, number = {4}, year = {2015}, month = {JAN}, pages = {Article No. 044113}, publisher = {AMER INST PHYSICS}, address = {1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA}, abstract = {

We propose a new elegant strategy to implement third order triples correction in the light of many-body perturbation theory to the Fock space multi-reference coupled cluster method for the ionization problem. The computational scaling as well as the storage requirement is of key concerns in any many-body calculations. Our proposed approach scales as N-6 does not require the storage of triples amplitudes and gives superior agreement over all the previous attempts made. This approach is capable of calculating multiple roots in a single calculation in contrast to the inclusion of perturbative triples in the equation of motion variant of the coupled cluster theory, where each root needs to be computed in a state-specific way and requires both the left and right state vectors together. The performance of the newly implemented scheme is tested by applying to methylene, boron nitride (B2N) anion, nitrogen, water, carbon monoxide, acetylene, formaldehyde, and thymine monomer, a DNA base. (C) 2015 AIP Publishing LLC.

}, issn = {0021-9606}, doi = {10.1063/1.4906233}, author = {Dutta, Achintya Kumar and Vaval, Nayana and Pal, Sourav} } @article { ISI:000349325400040, title = {New turn on Pd2+-specific fluorescence probe and its use as an imaging reagent for cellular uptake in Hct116 cells}, journal = {Chemical Communications}, volume = {51}, number = {17}, year = {2015}, month = {JAN}, pages = {3649-3652}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

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

}, issn = {1359-7345}, doi = {10.1039/c4cc10171e}, author = {Reddy, Upendar G. and Ali, Firoj and Taye, Nandaraj and Chattopadhyay, Samit and Das, Amitava} } @article {45937, title = {Nioella nitratireducens gen. nov., sp nov., a novel member of the family Rhodobacteraceae isolated from Azorean Island}, journal = {Antonie Van Leeuwenhoek International Journal of General and Molecular Microbiology}, volume = {107}, year = {2015}, month = {FEB}, pages = {589-595}, type = {Article}, abstract = {

A novel Gram-negative, non-spore forming, rod-shaped aerobic bacterium, designated SSW136(T), was isolated from a surface seawater sample collected at Espalamaca (in Faial Island), Azores. Growth was found to occur from 10 to 37 A degrees C, pH 6.0-8.0, and with 2-11 \% of NaCl. 16S rRNA gene sequence indicated that the strain SSW136(T) belongs to the family Rhodobacteraceae. Strain SSW136(T) exhibited 96.3, 95.9, 95.7 and 95.5 sequence similarity to the type strains Oceanicola litoreus M-M22(T), Roseovarius aestuarii SMK-122(T), Marivita geojedonensis DPG-138(T), and Pseudoruegeria aquimaris SW-255(T) respectively. Neighbour-joining and maximum-parsimony phylogenetic trees based on 16S rRNA gene sequences revealed that strain SSW136(T) was affiliated to the family Rhodobacteraceae and formed a separate branch. The G+C content was 63.5 mol\%. The major respiratory quinone was found to be Q-10. The polar lipids of strain SSW136(T) consisted of phosphatidylcholine, phosphatidylethanolamine, phosphatidylglycerol, two unidentified aminolipids and three unidentified phospholipids. The major fatty acids were C-18:1 omega 7c (46.5 \%), Cyclo-C-19:0 omega 8c (16.0 \%) and C-16:0 (12.8 \%). On the basis of the morphological, genotypic, chemotaxonomic characteristics and low DNA-DNA relatedness, strain SSW136(T) is proposed to represent a novel genus and novel species, Nioella nitratireducens gen. nov., sp. nov., in the family Rhodobacteraceae. The type strain is SSW136(T) (=KCTC 32417(T) = NCIM 5499(T)).

}, keywords = {Espalamaca, Nioella nitratireducens, Novel genus and species, Polyphasic taxonomy, Seawater}, issn = {0003-6072}, doi = {10.1007/s10482-014-0355-5}, author = {Rajasabapathy, Raju and Mohandass, Chellandi and Yoon, Jung-Hoon and Dastager, Syed Gulam and Liu, Qing and Khieu, Thi-Nhan and Son, Chu Ky and Li, Wen-Jun and Colaco, Ana} } @article { ISI:000360409800002, title = {Nonomuraea indica sp nov., novel actinomycetes isolated from lime-stone open pit mine, India}, journal = {Journal of Antibiotics}, volume = {68}, number = {8}, year = {2015}, month = {AUG}, pages = {491-495}, publisher = {JAPAN ANTIBIOTICS RESEARCH ASSOC}, address = {2 20 8 KAMIOSAKI SHINAGAWA KU, TOKYO, 141, JAPAN}, abstract = {

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

}, issn = {0021-8820}, doi = {10.1038/ja.2015.24}, author = {Quadri, Syed Raziuddin and Tian, Xin-Peng and Zhang, Jing and Li, Jie and Nie, Guo-Xing and Tang, Shu-Kun and Al Ruwaili, Jamal and Agsar, Dayanand and Li, Wen-Jun and Dastager, Syed Gulam} } @article { ISI:000367421500014, title = {Novel 2,6-diformyl-4-methyl phenol based chemosensor for Zn-II ion by ratiometric displacement of Cd-II ion and its application for cell imaging on human melanoma cancer cells}, journal = {Journal of the Indian Chemical Society}, volume = {92}, number = {11}, year = {2015}, month = {NOV}, pages = {1729-1745}, publisher = {SCIENTIFIC PUBL-INDIA}, address = {5-A, NEW PALI RD, PO BOX 91, NEAR HOTEL TAJ HARI MAHAL, JODHPUR, 342 003, INDIA}, abstract = {

A new chelating ligand [4-methyl-2,6-bis-(pyridin-2-yl-hydrazonomethyl)-phenol] (1) was prepared by the condensation of 2-hydrazinylpyridine with 2,6-diformyl-p-cresol. Compound 1 exhibits weak fluorescence due to intramolecular photoinduced electron transfer (PET). The sensor (1) demonstrates Zn2+-specific emission enhancement due to {\textquoteleft}{\textquoteleft}PET off{\textquoteright}{\textquoteright} process through a 1 : 1 binding mode with the metal ion. The fluorescence quantum yield of the chemosensor 1 is only 0.020, and it increases more than 14-fold (0.280) in the presence of one equivalent of the zinc ion. Interestingly, the introduction of other metal ions causes the fluorescence intensity to remain either unchanged or weakened except for Cd2+. Ratiometric displacement of Cd2+ ion from the complex by Zn2+ ion supports the formation of more stable sensor-Zn2+ complex over the sensor-Cd2+ complex. The experimental findings have been correlated with theoretical results using B3LYP functional and 6-31G(d,p), LANL2DZ basis set for Cd2+ (2) and Zn2+ (3) complex, respectively, by Density Functional Theory (DFT) method. Moreover, the ability of probe 1 to sense Zn2+ within human melanoma cancer cells has been explored, and the Zn2+-probing process in living cells was reversible. [Mn-2(PHMP)(2)](ClO4)(2) (4) and [Ni-2(PHMP)(H2O)(5)](NO3)(3) (5) have been also synthesized and characterized crystallographically and spectroscopically to understand the ligating behavior of the ligand PHMP.

}, keywords = {Cd-II ion, Chemosensor, Density functional theory, human melanoma cancer cells, photoinduced electron transfer, Zn-II ion}, issn = {0019-4522}, author = {Mitra, Debarshan and Venkatathari, N. and Sabharwal, S. C. and Godbole, S. V. and Tyagi, A. K. and Das, Sangbrita} } @conference {45948, title = {Optimisation of parameters affecting the performance of single compartment CEDI unit}, booktitle = {1ST International Conference on Computing Communication Control and Automation ICCUBEA 2015 }, year = {2015}, month = {MAR}, publisher = {Savitribai Phule Pune University; Indian Society for Technical Education; Quality Circle Forum of India; Pimpri Chinchwad College of Engineering; IEEE Pune Section}, organization = {Savitribai Phule Pune University; Indian Society for Technical Education; Quality Circle Forum of India; Pimpri Chinchwad College of Engineering; IEEE Pune Section}, address = {345 E 47TH ST, NEW YORK, NY 10017 USA}, abstract = {

The present work describes the production of the ultrapure water using Continuous Electro-deionization (CEDI) method. TheCEDI unit consist of ion exchange membranes, Mixed Bed-12 (MB-12) ion exchange resin and electrodes to remove ion impurities from feed water. The product water from the RO unit is supplied to the CEDI unit. The Quality of the ultra-pure water is determined by the amount of ions present in the water. Higher quality of Ultra-pure water is obtained when the maximum number of ions is transferred through the membranes. The Parameters affecting the performance of the CEDI unit are identified and optimized for maximum ions exchange. Inorder to reduce the number of experimentsTaguchi method was used for optimisation of operating parameters. An orthogonal L array (three factor and three level) was employed to evaluate the effect of feed concentration (35,40and 45 ppm), Flow rate (8, 9 and 10 LPH) and voltage (22, 23, 24 volts). Thus it was observed that increasing the applied voltage anddecreasing the waterflow rateincreases the number of ions transfers through the membrane. However, decreasing water flow rate has certain limits as it decreases the production capacity of the unit. Also it is observed that decreasing the ions in the feed water decreases the overall transfer of ions.

}, keywords = {Continuous Electro-deionization, Ion Exchange membranes, Optimisation, Taguchi method, Ultrapure Water}, isbn = {978-1-4799-6892-3}, doi = {10.1109/ICCUBEA.2015.101}, author = {Thorat, Prathamesh P. and Desale, G. R. and Gajjal, S. Y. and Patil, Sagar R.} } @article { ISI:000349934600077, title = {Organocatalytic enantioselective direct vinylogous michael addition of alpha,beta-unsaturated gamma-butyrolactam to beta-acyl acrylates and 1,2-diacylethylenes}, journal = {Journal of Organic Chemistry}, volume = {80}, number = {3}, year = {2015}, month = {FEB}, pages = {1985-1992}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A highly efficient Michael addition of alpha,beta-unsaturated gamma-butyrolactam to various beta-acyl acrylates and ene-diones to provide synthetically useful compounds was developed. The products were obtained with high diastereo- and enantioselectivities (up to \>25:1 dr and 99\% ee) containing adjacent tertiary stereocenters.

}, issn = {0022-3263}, doi = {10.1021/jo5027047}, author = {Chen, Yi-Ru and Das, Utpal and Liu, Meng-Hsien and Lin, Wenwei} } @article { ISI:000357805700036, title = {Oxidative addition of the C-I bond on aluminum nanoclusters}, journal = {Nanoscale}, volume = {7}, number = {28}, year = {2015}, month = {JUN}, pages = {12109-12125}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Energetics and the in-depth reaction mechanism of the oxidative addition step of the cross-coupling reaction are studied in the framework of density functional theory (DFT) on aluminum nanoclusters. Aluminum metal in its bulk state is totally inactive towards carbon-halogen bond dissociation but selected Al nanoclusters (size ranging from 3 to 20 atoms) have shown a significantly lower activation barrier towards the oxidative addition reaction. The calculated energy barriers are lower than the gold clusters and within a comparable range with the conventional and most versatile Pd catalyst. Further investigations reveal that the activation energies and other reaction parameters are highly sensitive to the geometrical shapes and electronic structures of the clusters rather than their size, imposing the fact that comprehensive studies on aluminum clusters can be beneficial for nanoscience and nanotechnology. To understand the possible reaction mechanism in detail, the reaction pathway is investigated with the ab initio Born Oppenheimer Molecular Dynamics (BOMD) simulation and the Natural Bond Orbital (NBO) analysis. In short, our theoretical study highlights the thermodynamic and kinetic details of C-I bond dissociation on aluminum clusters for future endeavors in cluster chemistry.

}, issn = {2040-3364}, doi = {10.1039/c5nr02278a}, author = {Sengupta, Turbasu and Das, Susanta and Pal, Sourav} } @article { ISI:000361116500070, title = {Oxidative and membrane stress-mediated antibacterial activity of WS2 and rGO-WS2 nanosheets}, journal = {RSC Advances}, volume = {5}, number = {91}, year = {2015}, month = {AUG}, pages = {74726-74733}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Graphene-based materials have strong cytotoxic attributes against bacteria due to their unique physicochemical properties. We examined the antibacterial activities of nanosheets of the graphene analogue tungsten disulphide (WS2) and a composite of reduced graphene oxide-tungsten disulphide (rGO-WS2), comparing them with reduced graphene oxide (rGO) by a time and concentration dependent viability assay and growth curve studies against four bacterial strains: Gram negative Escherichia coli (E. coli) and Salmonella typhimurium (S. typhimurium), and Gram positive Bacillus subtilis (B. subtilis) and Staphylococcus epidermidis (S. epidermidis). The nanosheets of the rGO-WS2 composite caused a more significant retardation in bacterial growth and inhibitory effect on the tested bacterial strains than WS2, followed by rGO. The tested E. coli and B. subtilis strains were more susceptible than the other strains. A mechanistic study revealed that rGO and WS2 did not produce the superoxide anion (O-2(-)) or reactive oxygen species (ROS), but the nanocomposite of rGO-WS2 did produce both. However, all these materials did oxidize glutathione, which serves as a redox state mediator in bacteria. We conclude that the antimicrobial mechanism is due to the combined effect of initial cell deposition on the rGO-WS2 materials, the membrane stress due to direct contact with the nanosheets, and the produced superoxide anion-independent oxidation mechanisms. The beneficial aspects of the physicochemical properties of rGO-WS2, such as its size and conductivity, can be precisely customized to reduce its health and environmental risk factors.

}, issn = {2046-2069}, doi = {10.1039/c5ra15652a}, author = {Navale, Govinda R. and Rout, Chandra Sekhar and Gohil, Kushal N. and Dharne, Mahesh S. and Late, Dattatray J. and Shinde, Sandip S.} } @article { ISI:000357933400054, title = {Perturbative order analysis of the similarity transformed hamiltonian in fock-space coupled cluster theory: difference energy and electric response properties}, journal = {Molecular Physics}, volume = {113}, number = {13-14, SI}, year = {2015}, month = {JUL}, pages = {2046-2060}, publisher = {TAYLOR \& FRANCIS LTD}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {

A perturbative analysis of the ground-state similarity transformed Hamiltonian and its effect on the various Fock-space coupled cluster (FSCC) sectors is presented through calculation of ionisation potential, electron affinity, excitation energies and response properties. Various truncation schemes of the effective Hamiltonian are presented with explicit form of the defining equations. Based on such a truncation, the approximate methods are labelled as FSCC(n), where n represents the correlation energy of the ionised, electron attached or excited states corrected at least up to nth order within coupled cluster singles and doubles scheme (CCSD). A lower scaling CC2 type of approach (abbreviated as FS-CC2) is compared against the group of FSCC(n) methods for energies. Electric response properties have been compared and contrasted for the two lower scaling methods: FSCC(2) and FS-CC2. The various truncated methods are tested for a number of small molecules. The results obtained from a range of truncated methods are compared against full FSCCSD calculations.

}, keywords = {electric response properties, Fock space, perturbative order, similarity transformed Hamiltonian}, issn = {0026-8976}, doi = {10.1080/00268976.2015.1059509}, author = {Bhattacharya, Debarati and Dutta, Achintya Kumar and Gupta, Jitendra and Pal, Sourav} } @article { ISI: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:000346189100095, title = {Phosphate enriched polyoxometalate based ionic salts for proton conduction}, journal = {RSC Advances}, volume = {5}, number = {3}, year = {2015}, month = {DEC}, pages = {2333-2337}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A series of [NiMo12O30(PO4)(8)](n-) POM anion and organic cation based ionic composites have been prepared in hydrothermal conditions. The ionic composites with protonated ethylene diamine molecules have been tested for proton conductivity.

}, issn = {2046-2069}, doi = {10.1039/c4ra07598f}, author = {Dey, Chandan and Kundu, Tanay and Aiyappa, Harshitha Barike and Banerjee, Rahul} } @article { ISI: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:000348922100005, title = {Photo-responsive pseudorotaxanes and assemblies}, journal = {Chemical Society Reviews}, volume = {44}, number = {3}, year = {2015}, month = {DEC}, pages = {663-676}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Chemists have achieved a predictable control over various non-covalent interactions and have used these weak interactions in their favour for developing a plethora of intricate functional structures. In this tutorial review we have summarized reports on such supramolecular structures that describe the rational approach in designing host and/or guest components, tagged with an appropriate fluorophore, for achieving the modified optical responses on formation of an assembly. This has relevance for designing new photo-responsive smart or adaptive stimuli responsive functional materials, self- healable materials, with interesting photo-physical property. These are also important in the area of supramolecular chemistry and biophysical chemistry in predicting the relative conformation in solution.

}, issn = {0306-0012}, doi = {10.1039/c4cs00295d}, author = {Mandal, Amal Kumar and Gangopadhyay, Monalisa and Das, Amitava} } @article { ISI:000349401200010, title = {Porous poly(ethylene glycol)-polyurethane hydrogels as potential biomaterials}, journal = {Polymer International}, volume = {64}, number = {3}, year = {2015}, month = {MAR}, pages = {397-404}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

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

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

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

}, keywords = {Apoptosis, Candida albicans, dimorphism, phenazines, Pseudomonas sp, reactive oxygen species}, issn = {1364-5072}, doi = {10.1111/jam.12675}, author = {Tupe, S. G. and Kulkarni, R. R. and Shirazi, F. and Sant, D. G. and Joshi, Swati P. and Deshpande, Mukund V.} } @article {42673, title = {Preparation of Ni3S2 and Ni3S2-Ni nanosheets via solution based processes}, journal = {Crystal Growth \& Design}, volume = {15}, year = {2015}, month = {MAY}, pages = {2584{\textendash}2588}, abstract = {

An easy and convenient preparation of nanometer-thick sheets of Ni3S2 and Ni3S2{\textendash}Ni from solution processed molecularly thin sheets of Ni-thiolates is described. Both the Ni3S2 and Ni3S2{\textendash}Ni possessed sheet-like morphologies and displayed room temperature ferromagnetic characteristics. The ferromagnetic nature of these samples was also confirmed by MFM studies, and AFM/TEM investigations substantiated the sheet-like morphology of the samples.

}, doi = {10.1021/acs.cgd.5b00307}, author = {Busupalli, Balanagulu and Date, Kalyani S. and Datar, Suwarna and Bhagavatula L. V. Prasad} } @article { ISI:000351325200008, title = {Pyrazine-based organometallic complex: synthesis, characterization, and supramolecular chemistry}, journal = {Inorganic Chemistry}, volume = {54}, number = {6}, year = {2015}, month = {MAR}, pages = {2543-2550}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The design, synthesis, and characterization of a new pyrazine-based ditopic platinum(II) organometallic complex are reported. The molecular structure of the organoplatinum pyrazine dipod was determined by single-crystal X-ray crystallography. The potential utility of this organometallic ditopic acceptor as a building block in the construction of neutral metallasupramolecular macrocycles containing the pyrazine motif was explored. Pyrazine motifs containing supramolecules were characterized by multinuclear NMR (including H-1 DOSY), mass spectrometry, and elemental analysis. The geometry of each supramolecular framework was optimized by employing the PM6 semi-empirical molecular orbital method to predict its shape and size. The ability of the pyrazine-based organoplatinum complex to act as a host for nitroaromatic guest (2,4-dinitrotoluene and PA) molecules was explored by isothermal titration calorimetry (ITC). The binding stoichiometry and thermodynamic parameters of these host guest complexation reactions were evaluated using ITC. Theoretical calculations were performed to obtain insight into the binding pattern between the organometallic host and nitroaromatic guests. The preferable binding propensity of the binding sites of complex 1 for both nitroaromatics (PA and 2,4-dinitrotoluene) determined by molecular simulation studies corroborates well with the experimental results as obtained by ITC experiments.

}, issn = {0020-1669}, doi = {10.1021/ic502581x}, author = {Bhowmick, Sourav and Chakraborty, Sourav and Das, Atanu and Rajamohanan, P. R. and Das, Neeladri} } @article { ISI:000362679300035, title = {Rapid conductometric sensor for the analysis of cyanide using imidazole based receptor}, journal = {Physical Chemistry Chemical Physics}, volume = {17}, number = {40}, year = {2015}, month = {SEP}, pages = {26790-26796}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A specific and efficient hydrogen bonding interaction between cyanide and the HN-H [imidazole] in an aqueous medium has been utilized for the selective recognition of cyanide under physiological conditions. The possibility of utilizing such an interaction for developing any practical device for the specific detection of cyanide in an aqueous environment has not been explored to date. We now report a simple dip and read conductometric sensor for cyanide ions using a tailored electrode in aqueous media. The purpose built reagent, 2-phenyl-1H-anthra-[2,3-d]-immidazole-5,10 dione was immobilized in a polyaniline matrix to fabricate this conductometric device. The homogeneous immobilization of the receptor in polyaniline was confirmed by FT-IR mapping. The proposed transduction mechanism is charge neutralization on the polyaniline moiety, which ultimately inhibits the protonation resulting in a decrease in the conductance of polyaniline. The sensor response was measured in three ranges of cyanide concentration (10(-10) M to 10(-8) M; 10(-8) M to 10(-6) M and 10(-6) M to 10(-3) M). Whereas the device is found insensitive in the first range, it acts as a detector in the second range and as a proportional sensor in the third range. The minimum detection limit of this device was found to be 10 nmol L-1 (2.6 ppt), which is significantly less than the WHO guideline values. The responses have been investigated under various conditions such as different pH and the electrochemical state of the polymer. The current device has been found to be better close to neutral pH and at a 400 mV vs. Ag/AgCl potential. The reproducibility and repeatability of the sensor was investigated and interference studies were performed.

}, issn = {1463-9076}, doi = {10.1039/c5cp03773e}, author = {Paul, Anirban and Perween, Mosarrat and Saha, Sukdeb and Srivastava, Divesh N. and Das, Amitava} } @article { ISI:000362890300003, title = {Rational drug design, synthesis and biological evaluation of dihydrofolate reductase inhibitors as antituberculosis agents}, journal = {Future Medicinal Chemistry}, volume = {7}, number = {8}, year = {2015}, month = {JUN}, pages = {979-988}, publisher = {FUTURE SCI LTD}, address = {UNITED HOUSE, 2 ALBERT PL, LONDON, N3 1QB, ENGLAND}, abstract = {

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

}, issn = {1756-8919}, doi = {10.4155/FMC.15.48}, author = {Tawari, Nilesh R. and Bag, Seema and Raju, Archana and Lele, Arundhati C. and Bairwa, Ranjeet and Ray, Mukti Kanta and Rajan, M. G. R. and Nawale, Laxman U. and Sarkar, Dhiman and Degani, Mariam S.} } @article { ISI:000343686900002, title = {Rational preparation of Ag and Au bimetallic catalysts for the hydrocarbon-SCR of NOx: sequential deposition vs. coprecipitation method}, journal = {Applied Catalysis B-Environmental}, volume = {162}, year = {2015}, month = {JAN}, pages = {11-20}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

This study emphasizes the importance of the preparation method for bimetallic Au-Ag catalysts supported on alumina in the selective reduction of NOx by hydrocarbons with gas feed compositions representative of diesel fuelled engine exhaust gas. An optimal balance between oxidative and reductive surface properties is obtained when Au and Ag are successively introduced. Significant re-dispersion processes take place when the catalyst runs at 500 degrees C leading to a gain in activity at low temperature and ascribed to a better interaction between Au and Ag species. Co-precipitation leads to a preferential formation of intermetallic Au-Ag particles which is detrimental to the catalytic performances. Aging at 500 degrees C leads to a significant particle sintering and a strengthening of the metallic character. (C) 2014 Elsevier B.V. All rights reserved.

}, keywords = {Au-Ag particles, Co-precipitation, DeNO(x) reaction, HC-SCR}, issn = {0926-3373}, doi = {10.1016/j.apcatb.2014.06.031}, author = {More, Pavan M. and Nguyen, D. L. and Dongare, Mohan K. and Shubhangi B. Umbarkar and Nuns, N. and Girardon, J. S. and Dujardin, Christophe and Lancelot, Christine and Mamede, Anne-Sophie and Granger, P.} } @article { ISI:000363167900028, title = {Reagent for specific recognition of cysteine in aqueous buffer and in natural milk: imaging studies, enzymatic reaction and analysis of whey protein}, journal = {Chemical Communications}, volume = {51}, number = {85}, year = {2015}, month = {AUG}, pages = {15592-15595}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

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

}, issn = {1359-7345}, doi = {10.1039/c5cc04876a}, author = {Anila, H. A. and Reddy, Upendar G. and Ali, Firoj and Taye, Nandaraj and Chattopadhyay, Samit and Das, Amitava} } @article { ISI:000363416400072, title = {Recyclable ionic liquid iodinating reagent for solvent free, regioselective iodination of activated aromatic and heteroaromatic amines}, journal = {RSC Advances}, volume = {5}, number = {107}, year = {2015}, month = {OCT}, pages = {88311-88315}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

This article describes a simple, efficient method for iodination of activated aromatic and heteroaromatic amines using recyclable 1-butyl-3-methylpyridinium dichloroiodate (BMPDCI) as an ionic liquid iodinating reagent, in the absence of any solvent. The main advantages are a simple efficient procedure, good yields and no need for any base/toxic heavy metals, or oxidizing agents. The ionic liquid was recovered and recycled in five subsequent reactions, without much loss of activity. This method was applied for the synthesis of the antiprotozoal drug iodoquinol and the antifungal drug clioquinol.

}, issn = {2046-2069}, doi = {10.1039/c5ra14702f}, author = {Deshmukh, Amarsinh and Gore, Babasaheb and Thulasiram, Hirekodathakallu V. and Swamy, Vincent P.} } @article { ISI: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:000354188800009, title = {Relativistic equation-of-motion coupled-cluster investigation of the trends of single and double ionization potentials in the He and Be isoelectronic systems}, journal = {Journal of Physics B-Atomic Molecular and Optical Physics}, volume = {48}, number = {11}, year = {2015}, month = {JUN}, pages = {115009}, publisher = {IOP PUBLISHING LTD}, address = {TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND}, abstract = {

We employ a four-component spinor relativistic equation-of-motion coupled-cluster (EOMCC) method within the single-and double-excitation approximation to calculate the single ionization potentials (IPs) and double ionization potentials (DIPs) of the He and Be isoelectronic sequences up to Ne. The obtained results are compared with the available results from the National Institute of Standards and Technology (NIST) database to test the performance of the EOMCC method. We also present intermediate results at different levels of approximations in the EOMCC framework to gain insight of the effect of electron correlation. Furthermore, we investigate the dependence of the IPs and DIPs of these ions on the ionic charge and observe that these follow parabolic trends. Similarities between the trends of IPs and DIPs in both the classes of considered systems are categorically demonstrated.

}, keywords = {coupled-cluster method, double ionization potentials, equation-of-motion theory}, issn = {0953-4075}, doi = {10.1088/0953-4075/48/11/115009}, author = {Pathak, Himadri and Sahoo, B. K. and Sengupta, Turbasu and Das, B. P. and Vaval, Nayana and Pal, Sourav} } @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:000363949300020, title = {Removal of methylene blue (MB) dye from water environment by processed Jowar Stalk [Sorghum bicolor (L.) Moench] adsorbent}, journal = {Clean Technologies and Environmental Policy}, volume = {17}, number = {8}, year = {2015}, month = {DEC}, pages = {2349-2359}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

The present paper discusses the results of the study of adsorption of methylene blue on activated carbon, derived from cheap and abundantly available agro-residue of Jowar Stalk (JS) [Sorghum bicolor (L.) Moench] on suitable heat and acid treatment. The physico-chemical and morphological characteristics of processed carbon of JS origin were studied using X-ray diffraction, scanning electron microscopy, Brunauer, Emmett and Teller surface area, and Fourier transform infrared spectrophotometry analyses. The batch studies revealed optimum values of adsorption parameters such as pH, adsorbent dosage, agitation speed, grain size, temperature, and contact time as 7, 1.5 g l(-1), 200 rpm, finer than 75 A mu m, 30 A degrees C, and 7 h, respectively. The adsorption isotherm data were best described by Langmuir isotherm model with a maximum adsorption capacity of 176.05 mg MB g(-1) JS activated carbon at 30 A degrees C, which is higher than that available with adsorbents used by past researchers. In terms of cost-effectiveness, JS carbon shows its superiority over commercially available carbon.

}, keywords = {Adsorption, Isotherms, kinetics, Methylene blue, Processed Jowar Stalk [Sorghum bicolor (L.) Moench]}, issn = {1618-954X}, doi = {10.1007/s10098-015-0977-y}, author = {Dod, Ramesh and Banerjee, Goutam and Saini, D. R.} } @article { ISI:000365462600035, title = {Rh-catalyzed synthesis of coumarin derivatives from phenolic acetates and acrylates via C-H bond activation}, journal = {Journal of Organic Chemistry}, volume = {80}, number = {22}, year = {2015}, month = {NOV}, pages = {11544-11550}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

An efficient annulation strategy involving the reaction of phenolic acetates with acrylates in the presence of [Rh-2(OAc)(4)] as catalyst and formic acid as reducing agent, leading to the high yield synthesis of coumarin derivatives, has been developed. The addition of NaOAc as a base increased the yield of the products. The reaction is quite Successful for both electron rich as well as electron deficient phenolic acetates, affording coumarins with excellent regioselectivity, and proceeds via, C-H bond activation proven by deuterium incorporation studies.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.5b01713}, author = {Gadakh, Sunita K. and Dey, Soumen and Sudalai, Arumugarn} } @article { ISI:000356305300034, title = {Rhodium complex with unsymmetrical vicinal diamine ligand: excellent catalyst for asymmetric transfer hydrogenation of ketones}, journal = {RSC Advances}, volume = {5}, number = {64}, year = {2015}, month = {JUN}, pages = {51722-51729}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

New unsymmetrical vicinal diamine ligands with systematic variation in the regio and stereo positions in the amine and sulphonamide groups were synthesized from cheap starting material such as norephedrine. Catalytic Asymmetric Transfer Hydrogenation (ATH) of aromatic alkyl ketones has been investigated using transition metal complexes and new derivatives of monotosylated unsymmetrical vicinal diamine ligands using sodium formate as the hydrogen source, in water and methanol. Chiral secondary alcohols were obtained with excellent enantioselectivity (\>95\% ee) and conversion of ketones (\>95\%) with [Rh(Cp*)Cl-2](2) and ligand 4 as a catalyst. Enantioselectivity was found to be slightly higher with the use of methanol as a solvent for ATH of ketones with sodium formate as the hydrogen source compared to water as a solvent and was found to be consistent with all the ketones investigated. The reaction mixture is homogeneous in methanol unlike in water, where substrate and product are insoluble in water and form separate phase, sodium formate being soluble in water. The activity and enantioselectivity obtained for ATH of ketones using [Rh(Cp*)Cl-2](2) and unsymmetrical vicinal diamine ligand as catalyst was comparable with the C2 symmetric benchmark ligands like TsDPEN ((1R, 2R)-N-(p-tolylsulfonyl)-1,2-diphenylethylene- diamine), and TsCYDN ((1R, 2R)-N-(p-tolylsulfonyl)-1,2-cyclohexyl, diamine) under similar reaction conditions. To the best of our knowledge, this is first example of the ATH of ketones with good activity and high enantioselectivity with [Rh(Cp*)Cl-2](2) and unsymmetrical vicinal diamine ligands as catalyst systems.

}, issn = {2046-2069}, doi = {10.1039/c5ra08220j}, author = {Deshpande, Sudhindra H. and Shende, Vaishali S. and Shingote, Savita K. and Chakravarty, Debamitra K. and Puranik, Vedavati G. and Chaudhari, Raghunath V. and Kelkar, Ashutosh A.} } @article {45887, title = {Selective aerobic oxidation of alcohols over Au-Pd/sodium titanate nanotubes}, journal = {Catalysis Communications}, volume = {58}, year = {2015}, month = {JAN }, pages = {149-153}, type = {Article}, abstract = {

catalytic application of Au-Pd nanoparticles supported on sodium titanate nanotubes (NaTNTs) for liquid-phase aerobic oxidation of alcohols is reported, for the first time. This reaction occurs at 80-120 degrees C, 1 atm and solvent-/alkali-free conditions yielding the corresponding carbonyls in high selectivity. This catalyst was reusable and found to be more active/selective than the corresponding monometallic Au and Pd catalysts and Au-Pd/TiO2. Higher dispersion, smaller particle size and higher amount of electron density at gold are the causes for the superior activity of Au-Pd/NaTNT catalyst. (C) 2014 Elsevier B.V. All rights reserved.

}, keywords = {aerobic oxidation, Alcohol, Bimetallic Au-Pd catalyst, Sodium titanate nanotubes, TiO2}, issn = {1566-7367}, doi = {10.1016/j.catcom.2014.09.018}, author = {Nepak, Devadutta and Darbha, Srinivas} } @article { ISI:000352448800019, title = {Self-assembled vertically aligned gold nanorod super-lattices for ultra-high sensitive detection of molecules}, journal = {Nano Research}, volume = {8}, number = {3}, year = {2015}, month = {MAR}, pages = {907-919}, publisher = {TSINGHUA UNIV PRESS}, address = {TSINGHUA UNIV, RM A703, XUEYAN BLDG, BEIJING, 10084, PEOPLES R CHINA}, abstract = {

We show that self-assembled vertically aligned gold nanorod (VA-GNRs) superlattices can serve as probes or substrates for ultra-high sensitive detection of various molecules. D-glucose and 2,4,6-trinitrotoluene (TNT) have been chosen as model systems due to their very low Raman cross-sections (5.6 x 10(-30) cm(2).molecule(-1).sr(-1) for D-glucose and 4.9 x 10(-31) cm(2). molecule(-1).sr(-1) for TNT) to show that the VA-GNR superlattice assembly offers as low as yoctomole sensitivity. Our experiment on mixed samples of bovine serum albumin (BSA) and D-glucose solutions demonstrate sensitivity for the latter, and the possible extension to real samples. Self-assembled superlattices of VA-GNRs were achieved on a silicon wafer by depositing a drop of solvent containing the GNRs and subsequent solvent evaporation in ambient conditions. An additional advantage of the VA-GNR monolayers is their extremely high reproducible morphology accompanied by ultrahigh sensitivity which will be useful in many fields where a very small amount of analyte is available. Moreover the assembly can be reused a number of times after removing the already present molecules. The method of obtaining VA-GNRs is simple, inexpensive and reproducible. With the help of simulations of monolayers and multilayers it has been shown that superlattices can achieve better sensitivity than monolayer assembly of VA-GNRs.

}, keywords = {Nanostructures, Raman spectroscopy, self-assemblies, sensors, superlattices}, issn = {1998-0124}, doi = {10.1007/s12274-014-0572-2}, author = {Apte, Amey and Bhaskar, Prashant and Das, Raja and Chaturvedi, Smita and Poddar, Pankaj and Kulkarni, Sulabha} } @article { ISI:000359444500009, title = {Self-similar rupture of thin free films of power-law fluids}, journal = {Physical Review E}, volume = {92}, number = {2}, year = {2015}, month = {AUG}, pages = {023014}, publisher = {AMER PHYSICAL SOC}, address = {ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA}, abstract = {

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

}, issn = {1539-3755}, doi = {10.1103/PhysRevE.92.023014}, author = {Thete, Sumeet Suresh and Anthony, Christopher and Basaran, Osman A. and Doshi, Pankaj} } @article { ISI:000350221600066, title = {Silica microspheres containing high density surface hydroxyl groups as efficient epoxidation catalysts}, journal = {RSC Advances}, volume = {5}, number = {27}, year = {2015}, month = {FEB}, pages = {21125-21131}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Uniformly sized silica microspheres were synthesized by a hydrolysis-condensation method. The obtained material was etched with a mild aqueous potassium hydroxide solution for different periods of time to break their Si-O-Si bonds and increases the density of hydroxyl groups on their surfaces. The resulting materials were then used as transition metal-free catalysts for oxidation of olefins in the presence of hydrogen peroxide as a green oxidant. The materials were thoroughly characterized using various physicochemical techniques. These highly populated hydroxyl groups on the surface of silica microspheres were proven to be responsible for excellent conversion (up to 93\%) and epoxide selectivity (up to 100\%) for various olefins. Quantum mechanical calculations also corroborate the experimental findings. Furthermore, both experimental and theoretical studies show that tertiary silanols were present at the active sites of the catalyst surface and were responsible for olefin epoxidation.

}, issn = {2046-2069}, doi = {10.1039/c5ra00374a}, author = {Chandra, Prakash and Doke, Dhananjay S. and Shubhangi B. Umbarkar and Vanka, Kumar and Biradar, Ankush V.} } @article { ISI: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:000347373500003, title = {Simple method for the preparation of ultra-small palladium nanoparticles and their utilization for the hydrogenation of terminal alkyne groups to alkanes}, journal = {Nanoscale}, volume = {7}, number = {3}, year = {2015}, month = {NOV}, pages = {872-876}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A simple and convenient method for the preparation of ultra-small palladium nanoparticles (Pd-NPs) by a modified digestive ripening method is described. These nanoparticles catalyse the hydrogenation of the terminal alkyne groups to alkanes selectively, and show no effect on other labile protecting and internal alkyne or internal/external alkene groups present in the molecule.

}, issn = {2040-3364}, doi = {10.1039/c4nr04239e}, author = {Seth, Jhumur and Kona, Chandrababu Naidu and Das, Shyamsundar and Bhagavatula L. V. Prasad} } @article { ISI:000353167500032, title = {Sophorolipid assisted tunable and rapid gelation of silk fibroin to form porous biomedical scaffolds}, journal = {RSC Advances}, volume = {5}, number = {43}, year = {2015}, month = {MAR}, pages = {33955-33962}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Three dimensional polymer hydrogels, based on both natural and synthetic polymers, are increasingly being used as scaffolds and drug delivery vehicles for biomedical applications. Fibrous protein, silk fibroin (SF), obtained from the Bombyx mori silkworm is a promising candidate in this area. However, SF has a long gelation time of about a few weeks that can only be reduced by non-physiological treatments (e. g. high temperature, ultrasonication and low pH) or by addition of a chemical and non-biodegradable polymer and/or surfactant. We report here accelerated gelation of SF under physiological conditions using a biosurfactant, sophorolipid (SL) as a gelling agent. SL and SF are completely miscible and form a very clear solution upon mixing. Hence it is interesting to see that this clear solution gels in a time span of just a few hours. The hydrogels so formed have pore architecture, porosities and mechanical stability ideally suited for tissue culture applications. Here we also demonstrate that mouse fibroblast cells not only adhere to but also extensively proliferate on these SF-SL scaffolds.

}, issn = {2046-2069}, doi = {10.1039/c5ra04317d}, author = {Dubey, Parul and Nawale, Laxman and Sarkar, Dhiman and Nisal, Anuya and Prabhune, Asmita} } @article { ISI:000363068700007, title = {Specific reagent for Cr(III): imaging cellular uptake of Cr(III) in Hct116 cells and theoretical rationalization}, journal = {Journal of Physical Chemistry B}, volume = {119}, number = {41}, year = {2015}, month = {OCT}, pages = {13018-13026}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A new rhodamine-based reagent (L-1), trapped inside the micellar structure of biologically benign Triton-X 100, could be used for specific recognition of Cr(III) in aqueous buffer medium having physiological pH. This visible light excitable reagent on selective binding to Cr(III) resulted in a strong fluorescence turn-on response with a maximum at similar to 583 nm and tail of that luminescence band extended until 650 nm, an optical response that is desired for avoiding the cellular autofluorescence. Interference studies confirm that other metal ions do not interfere with the detection process of Cr(III) in aqueous buffer medium having pH 7.2. To examine the nature of binding of Cr(III) to L-1, various spectroscopic studies are performed with the model reagent L-1 which tend to support Cr(III)-eta(2)-olefin pi-interactions involving two olefin bonds in molecular probe L-1. Computational studies are also performed with another model reagent L-M to examine the possibility of such Cr(III)-eta(2)-olefin pi-interactions. Presumably, polar functional groups of the model reagent L-M upon coordination to the Cr(III) center effectively reduce the formal charge on the metal ion and this is further substantiated by results of the theoretical studies. This assembly is found to be cell membrane permeable and shows insignificant toxicity toward live colon cancer cells (Hct116). Confocal laser scanning microscopic studies further revealed that the reagent L-1 could be used as an imaging reagent for detection of cellular uptake of Cr(III) in pure aqueous buffer medium by Hct116 cells. Examples of a specific reagent for paramagnetic Cr(III) with luminescence ON response are scanty in the contemporary literature. This ligand design helped us in achieving the turn on response by utilizing the conversion from spirolactam to an acyclic xanthene form on coordination to Cr(III).

}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.5b07565}, author = {Ali, Firoj and Saha, Sukdeb and Maity, Arunava and Taye, Nandaraj and Si, Mrinal Kanti and Suresh, E. and Ganguly, Bishwajit and Chattopadhyay, Samit and Das, Amitava} } @article { ISI:000346235600046, title = {Spectroscopic and ab initio investigation of 2,6-difluorophenylacetylene-amine complexes: coexistence of C-H center dot center dot center dot N and lone-pair center dot center dot center dot pi complexes and intermolecular coulombic decay}, journal = {Physical Chemistry Chemical Physics}, volume = {17}, number = {1}, year = {2015}, month = {OCT}, pages = {434-443}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Binary complexes of 2,6-difluorophenylacetylene with methylamine, dimethylamine, trimethylamine and triethylamine were investigated using one colour resonant two photon ionization and infrared-optical double resonance spectroscopic techniques combined with high level ab initio calculations. All four amines form C-Ac-H center dot center dot center dot N hydrogen-bonded complexes. Additionally trimethylamine and triethylamine form complexes characterized by Lp center dot center dot center dot pi interactions, due to the electron deficient nature of the phenyl ring of 2,6-difluorophenylacetylene. The Lp center dot center dot center dot pi interacting structure of the 2,6-difluorophenylacetylenetrimethylamine complex is about 1.5 kJ mol(-1) higher in energy than the C-Ac-H center dot center dot center dot N hydrogen-bonded structure, which is the global minimum. Energy decomposition analysis indicates that the electrostatics and dispersion interactions favour the formation of C-Ac-H center dot center dot center dot N and Lp center dot center dot center dot pi complexes, respectively. Interestingly the C-Ac-H center dot center dot center dot N hydrogen-bonded complex of 2,6-difluorophenylacetylene-triethylamine showed a smaller shift in the acetylenic C-H stretching frequency than the 2,6-difluorophenylacetylene-trimethylamine complex. The observed fragmentation of the binary complexes of 2,6-difluorophenylacetylene with the four amines following resonant two-photon ionization can be explained on the basis of the intermolecular coulombic decay process.

}, issn = {1463-9076}, doi = {10.1039/c4cp03445g}, author = {Mondal, Sohidul Islam and Dey, Arghya and Sen, Saumik and Patwari, G. Naresh and Ghosh, Debashree} } @article {43027, title = {Spirochromone-chalcone conjugates as antitubercular agents: synthesis, bio evaluation and molecular modeling studies}, journal = {RSC Advances}, volume = {5}, year = {2015}, month = {DEC}, abstract = {

A new series of spirochromone annulated chalcone conjugates were synthesized and evaluated for their antitubercular activity against Mycobacterium tuberculosis H37Rv strain. These compounds were subjected to molecular modeling studies using docking and chemoinformatics based approaches. The docking simulations were performed against a range of known receptors for chalcone derived compounds to reveal MTB phosphotyrosine phosphatase B [MtbPtpB] protein as the most probable target based on the high binding affinity scores. Five compounds exhibit significant inhibition, showing minimum inhibitory concentration values i.e. MIC values ranging from 3.13{\textendash}12.5 μg mL-1. Further analysis of the synthesized compounds with known and in-house developed chemoinformatics tools unequivocally established their potential as anti-tubercular compounds. QSAR modeling revealed a quantitative relationship between biological activities and frontier molecular orbital energies of synthesized compounds. The predictive model can be employed further for virtual screening of new compounds in this series.

}, doi = {10.1039/C5RA21737G}, author = {Mujahid, Mohammad and Perumal, Yogeeswari and Sriram, D. and Basavanag, U. M. V. and D{\i}az-Cervantes, Erik and Cordoba-Bahena, Luis and Robles, Juvencio and Gonnade, Rajesh Ghanshyam and Karthikeyan, Muthukumarasamy and Vyas, Renu and Krishnan, M. Muthu} } @article { ISI:000350573400013, title = {Starch (Tapioca) to carbon dots: an efficient green approach to an on-off-on photoluminescence probe for fluoride ion sensing}, journal = {Analyst}, volume = {140}, number = {6}, year = {2015}, month = {FEB}, pages = {1837-1841}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Photoluminescent carbon dots of 4-5 nm size were prepared from starch (Tapioca Sago) through a solution method under mild conditions. The as-prepared carbon dots were used as photoluminescence probes for highly anion selective fluoride ion detection in aqueous solutions. A ready-to-use device is also demonstrated.

}, issn = {0003-2654}, doi = {10.1039/c4an02340d}, author = {Basu, Aniruddha and Suryawanshi, Anil and Kumawat, Begraj and Dandia, Anshu and Guin, Debanjan and Ogale, Satishchandra B.} } @article { ISI:000345901600049, title = {Stepwise isolation of low-valent, low-coordinate Sn and Pb mono- and dications in the coordination sphere of platinum}, journal = {Chemical Science}, volume = {6}, number = {1}, year = {2015}, month = {OCT}, pages = {425-435}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Synthetic access to low-coordinate Pb mono- and dications is in general impeded due to their poor solubility and highly electrophilic nature. However, the electrophilicity of these cations can be tamed by attaching them to electron-rich transition metals. Following this principle we have isolated low-valent Pb mono- ([(Cy3P)(2)Pt-PbCl](2)[AlCl4](2), 8a) and dications ([(Cy3P)(2)Pt(Pb)][AlCl4](2), 11) in the coordination sphere of platinum. The same approach then has been implemented for the isolation of analogous low-valent Sn mono- (7a) and dications (10). An energy decomposition analysis (EDA-NOCV) was performed to investigate the nature of Pt-Pb and Pb-Cl bonding in [(Cy3P)(2)Pt(PbCl2)] (2), 8a and 11. The results show that the Pt-Pb bonds in 8a and 11 are electron-sharing in nature, whereas that of the precursor 2 is a dative bond. The breakdown of attractive interactions in 2, 8a and 11 reveals that the ionic interactions in the analyzed Pt-Pb and Pb-Cl bonds are always stronger than the covalent interactions, except for the Pb-Cl bond in 8a. The calculated D3 dispersion energies show that dispersion interactions play a key role in the thermodynamic stability of 2, 8a and 11.

}, issn = {2041-6520}, doi = {10.1039/c4sc02948h}, author = {Braunschweig, Holger and Celik, Mehmet Ali and Dewhurst, Rian D. and Heid, Magdalena and Hupp, Florian and Sen, Sakya S.} } @article { ISI: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:000349999200004, title = {Structure-induced catalytic activity of Co-Zn double-metal cyanide complexes for terpolymerization of propylene oxide, cyclohexene oxide and CO2}, journal = {RSC Advances}, volume = {5}, number = {24}, year = {2015}, month = {FEB}, pages = {18196-18203}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The application of Co-Zn double-metal cyanide (DMC) complexes as catalysts for selective terpolymerization of propylene oxide, cyclohexene oxide and CO2 producing polycarbonates is reported for the first time. DMC complexes were prepared with and without using a co-complexing agent. The catalyst with monoclinic/rhombohedral crystal structure and strong Lewis acidity, prepared without using a co-complexing agent showed higher initial activity than that with a cubic structure prepared using a co-complexing agent. Interestingly, no induction period in the terpolymerization reaction was observed. The terpolymer has 75.5 mol\% of carbonate fraction in its composition and an average molecular weight of 22 700 and polydispersity index of 2.97. It is characterized by a T-g of 55 degrees C. This structure-induced catalytic activity of DMC can open up new avenues for its applications in other reactions. The influence of process parameters on the catalytic activity of DMC was investigated.

}, issn = {2046-2069}, doi = {10.1039/c5ra00299k}, author = {Sebastian, Joby and Darbha, Srinivas} } @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:000349578400018, title = {Surface site modulations by conjugated organic molecules to enhance visible light activity of ZnO nanostructures in photocatalytic water splitting}, journal = {Journal of Physical Chemistry C}, volume = {119}, number = {6}, year = {2015}, month = {FEB}, pages = {3060-3067}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Surface modification of ZnO nanoparticles is identified as a method of modulating surface sites advantageously. ZnO nanoparticles of two different sizes are surface modified with a conjugated organic moiety to enable electron conduction and transfer. Enhanced H-2 evolution from water-methanol mixtures was observed in the composite systems compared to pristine ZnO under visible light irradiation without any cocatalyst. The system is also marginally active in water splitting in pure water without any sacrificial agents. Photophysical characterization indicates that even though reducing size into the nanoregime affects the band gap detrimentally, modifications by simple conjugated organic molecules assist in enhanced visible light activity. The experimental observations are corroborated with computational studies, which also point to a localization of valence band maximum of the interface on the organic moiety and conduction band minimum on ZnO.

}, issn = {1932-7447}, doi = {10.1021/jp511996z}, author = {George, Leena and Sappati, Subrahmanyam and Ghosh, Prasenjit and Devi, R. Nandini} } @article { ISI:000362243500018, title = {Surface-tuned Co3O4 nanoparticles dispersed on nitrogen-doped graphene as an efficient cathode electrocatalyst for mechanical rechargeable zinc-air battery application}, journal = {ACS Applied Materials \& Interfaces}, volume = {7}, number = {38}, year = {2015}, month = {SEP}, pages = {21138-21149}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The most vital component of the fuel cells and metal air batteries is the electrocatalyst, which can facilitate the oxygen reduction reaction (ORR) at a significantly reduced overpotential. The present work deals with the development of surface-tuned cobalt oxide (Co3O4) nanoparticles dispersed on nitrogen-doped graphene as a potential ORR electrocatalyst possessing some unique advantages. The thermally reduced nitrogen-doped graphene (NGr) was decorated with three different morphologies of Co3O4 nanoparticles, viz., cubic, blunt edged cubic, and spherical, by using a simple hydrothermal method. We found that the spherical Co3O4 nanoparticle supported NGr catalyst (Co3O4-SP/NGr-24h) has acquired a significant activity makeover to display the ORR activity closely matching with the state-of-the-art Pt supported carbon (PtC) catalyst in alkaline medium. Subsequently, the Co3O4-SP/NGr-24h catalyst has been utilized as the air electrode in a Zn-air battery, which was found to show comparable performance to the system derived from PtC. Co3O4-SP/NGr-24h catalyst has shown several hours of flat discharge profile at the discharge rates of 10, 20, and 50 mA/cm(2) with a specific capacity and energy density of similar to 590 mAh/g(-zn) and,840 Wh/kg(-zn), respectively, in the primary Zn-air battery system. In conjunction, Co3O4-SP/NGr-24h has outperformed as an air electrode in mechanical rechargeable Zn-air battery as well, which has shown consistent flat discharge profile with minimal voltage loss at a discharge rate of 50 mA/cm(2). The present results, thus demonstrate that the proper combination of the tuned morphology of Co3O4 with NGr will be a promising and inexpensive material for efficient and ecofriendly cathodes for Zn-air batteries.

}, keywords = {electrocatalyst, mixed facets, oxygen reduction reaction, rechargeable zinc-air battery, surface morphology}, issn = {1944-8244}, doi = {10.1021/acsami.5b04865}, author = {Singh, Santosh K. and Dhavale, Vishal M. and Kurungot, Sreekumar} } @article {43034, title = {Swarm and swim motilities of salmonella enterica serovar typhimurium and role of osmoregulated periplasmic glucans}, journal = {Microbiol Discov}, volume = {3}, year = {2015}, month = {JAN}, pages = {3-6}, doi = {10.7243/2052-6180-3-3}, author = {Dharne, Mahesh S. and Kannan, Porteen and Murphy, Charles and Smith, Allen and Bhagwat, Arvind A.} } @article { ISI:000354910500021, title = {Switching closed-shell to open-shell phenalenyl: toward designing electroactive materials}, journal = {Journal of the American Chemical Society}, volume = {137}, number = {18}, year = {2015}, month = {MAY}, pages = {5955-5960}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Open-shell phenalenyl chemistry started more than half a century back, and the first solid-state phenalenyl radical was realized only 15 years ago highlighting the synthetic challenges associated in stabilizing carbon-based radical chemistry, though it has great promise as building blocks for molecular electronics and multifunctional materials. Alternatively; stable closed-shell phenalenyl has tremendous potential as it can be utilized, to create an in situ open-shell state by external spin injection. In the present study, we have designed a closed-shell phenalenyl-based iron(III) complex, Fe-III(PLY)(3) (PLY-H = 9-hydroxyphenalenone) displaying an excellent electrocatalytic property as cathode material for one compartment membraneless H2O2 fuel cell. The power density output Of Fe-III(PLY)(3) is nearly 15-fold higher than the structurally related model compound Fe-III(acac)(3) (acac = acetylacetonate) and nearly 140-fold higher than an earlier reported mononuclear Fe(III) complex; Fe-III(Pc)Cl (Pc = pthalocyaninate), highlighting the role of switchable closed-shell phenalenyl moiety for electron-transfer process in designing electroactive materials.

}, issn = {0002-7863}, doi = {10.1021/jacs.5b00272}, author = {Pariyar, Anand and Vijaykumar, Gonela and Bhunia, Mrinal and Dey, Suman Kr. and Singh, Santosh K. and Kurungot, Sreekumar and Mandal, Swadhin K.} } @article { ISI:000358338300003, title = {Synthesis and antifungal potential of 1,2,3-triazole and 1,2,4-triazole thiol substituted strobilurin derivatives}, journal = {Indian Journal of Chemistry Section B-Organic Chemistry Including Medicinal Chemistry}, volume = {54}, number = {7}, year = {2015}, month = {JUL}, pages = {908-917}, publisher = {COUNCIL SCIENTIFIC \& INDUSTRIAL RES}, address = {ANUSANDHAN BHAWAN, 2 RAFI MARG, NEW DELHI, 110001, INDIA}, abstract = {

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

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

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

}, keywords = {Carboxymethyl guar, Carboxymethyl tamarind, Pluronics, Rheology, Solution behavior, Thermo-associating polymers}, issn = {0144-8617}, doi = {10.1016/j.carbpol.2014.09.073}, author = {Gupta, Nivika R. and Torris, Arun A. T. and Wadgaonkar, Prakash P. and Rajamohanan, P. R. and Ducouret, Guylaine and Hourdet, Dominique and Creton, Costantino and Badiger, Manohar V.} } @article {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:000367546300012, title = {Synthesis, crystal structure and in vitro DNA binding studies of combretastatin A-4 analogue}, journal = {Croatica Chemica Acta}, volume = {88}, number = {3}, year = {2015}, month = {DEC}, pages = {289-296}, publisher = {CROATIAN CHEMICAL SOC}, address = {MARULICEV TRG 19/II, 41001 ZAGREB, CROATIA}, abstract = {

Synthesis of a novel Combretastatin A-4 analogue using Schiff{\textquoteright}s reaction of benzil and 4-aminoantipyrine has been achieved under solvent free conditions. The structure of compound was examined spectroscopically and confirmed from single crystal diffraction studies. The synthesized Combretastatin A-4 analogue was investigated for its DNA binding ability as the plausible mechanism for its antitumor activity. The binding propensity of the synthesized compound with calf-thymus (CT) DNA was monitored with absorption and emission spectrophotometric titrations. The calculations predict a binding constant of 7.24 x 10(4) for the complex of the synthesized compound with CT DNA which is comparable in magnitude to that of DNA binding of bactericidal drug enoxacin and typical intercalation indicator ethidium bromide (EB). Competitive binding studies of the synthesized compound with EB using fluorescence titration reveal that it displaces the DNA-bound EB and binds in intercalative mode which was further supported by circular dichroism (CD) spectroscopy. The probable site and binding energy of the compound with DNA was further theoretically investigated by molecular docking studies. The significant DNA binding ability of the synthesized Combretastatin A4 analogue as revealed from this study could be related to the anticancer activity of the Combretastatin A4.

}, keywords = {benzil, bio-physical, combretastatin A-4, crystal structure, DNA binding, ethidium bromide, fluorescence, phenazones}, issn = {0011-1643}, doi = {10.5562/cca2662}, author = {Rizvi, Masood Ahmad and Dangat, Yuvraj B. and Yaseen, Zahid and Gupta, Vivek and Khan, Khaliquz Zaman} } @article { ISI:000350219700005, title = {Synthesis of yangjinhualine A}, journal = {Synthesis-Stuttgart}, volume = {47}, number = {4}, year = {2015}, month = {FEB}, pages = {485-488}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

Selective reduction of 3-(4-hydroxyphenyl)-2-methylmaleic anhydride provides access the corresponding gamma-hydroxybutenolide natural product yangjinhualine A.

}, keywords = {anhydrides, lactones, Natural products, reduction, Regioselectivity}, issn = {0039-7881}, doi = {10.1055/s-0034-1379582}, author = {Deore, Prashant S. and Batwal, Ramesh U. and N. P. Argade} } @article { ISI:000358337700009, title = {Synthesis, optoelectronic, and transistor properties of BODIPY- and cyclopenta[c]thiophene-containing pi-conjugated copolymers}, journal = {Journal of Physical Chemistry C}, volume = {119}, number = {28}, year = {2015}, month = {JUL}, pages = {15859-15867}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Three new low-band-gap copolymers were synthesized by fusing dipyrromethene difluoroborane (BODIPY) as the acceptor (A) and thiophene-capped 5,5-bis(hexyloxymethyl)-5,6-dihydro-4H-cyclopenta[c]-thiophene (CPT) as the donor (D). The BODIPY unit was copolymerized through the {\textquoteleft}alpha{\textquoteright} positions (1 and 7 positions) in P1 and through the {\textquoteleft}beta{\textquoteright} positions (2 and 6 positions) in P2 and P3. The additional acetylene unit between D and A in P3 enhanced the conjugation by minimizing the possible steric hindrance compared to that in P2, whereas P1 exhibited a more red-shifted absorption than P2 and P3 because of the more effective conjugaion through the {\textquoteleft}alpha{\textquoteright} positions of BODIPY. Importantly, the optical band gaps (E-g(opt)) obtained from the onset of the absorption spectra are 1.28, 1.71, and 1.57 eV for P1, P2, and P3, respectively. P1 has the lowest band gap for any CPT-containing polymer. In the best transistor devices, a mobility improvement by 4 orders of magnitude from 3.22 x 10(-6) cm(2) V-1 s(-1) for P2 to 0.01 cm(2) V-1 s(-1) for P1 was achieved. DFT calculations alongside measured charge-transport properties indicated that appreciable alterations in the optoelectronic properties of the polymers were achieved through minor changes in their structural features. The polymers were further characterized by thin-film X-ray diffraction, atomic force microscopy, and spectroelectrochemistry to investigate their material and electrochemical properties.

}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.5b02743}, author = {Debnath, Sashi and Singh, Saumya and Bedi, Anjan and Krishnamoorthy, Kothandam and Zade, Sanjio S.} } @article { ISI:000358624200005, title = {Terahertz spectroscopy and solid-state density functional theory calculations of cyanobenzaldehyde isomers}, journal = {Journal of Physical Chemistry A}, volume = {119}, number = {29}, year = {2015}, month = {JUL}, pages = {7991-7999}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Spectral signatures in the terahertz (THz) frequency region are mainly due to bulk vibrations of the molecules. These resonances are highly sensitive to the relative position of atoms in a molecule as well as the crystal packing arrangement. To understand the variation of THz resonances, THz spectra (2-10 THz) of three structural isomers: 2-, 3-, and 4-cyanobenzaldehyde have been studied. THz spectra obtained from Fourier transform infrared (FTIR) spectrometry of these isomers show that the resonances are distinctly different especially below 5 THz. For understanding the intermolecular interactions due to hydrogen bonds, four molecule cluster simulations of each of the isomers have been carried out using the B3LYP density functional with the 6-31G(d,p) basis set in Gaussian09 software and the compliance constants are obtained. However, to understand the exact reason behind the observed resonances, simulation of each isomer considering the full crystal structure is essential. The crystal structure of each isomer has been determined using X-ray diffraction (XRD) analysis for carrying out crystal structure simulations. Density functional theory (DFT) simulations using CRYSTAL14 software, utilizing the hybrid density functional B3LYP, have been carried out to understand the vibrational modes. The bond lengths and bond angles from the optimized structures are compared with the XRD results in terms of root-mean-square-deviation (RMSD) values. Very low RMSD values confirm the overall accuracy of the results. The simulations are able to predict most of the spectral features exhibited by the isomers. The results show that low frequency modes (\<3 THz) are mediated through hydrogen bonds and are dominated by intermolecular vibrations.

}, issn = {1089-5639}, doi = {10.1021/acs.jpca.5b01942}, author = {Dash, Jyotirmayee and Ray, Shaurnik and Nallappan, Kathirvel and Kaware, Vaibhav and Basutkar, Nitin B. and Gonnade, Rajesh G. and Ambade, Ashootosh V. and Joshi, Kavita and Pesala, Bala} } @article { ISI:000354735600005, title = {Theoretical insight of nitric oxide adsorption on neutral and charged Pd-n (n=1-5) clusters}, journal = {International Journal of Quantum Chemistry}, volume = {115}, number = {13}, year = {2015}, month = {JUL}, pages = {837-845}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Density functional theory (DFT) calculations within the framework of generalized gradient approximation have been used to systematically investigate the adsorption of nitric oxide (NO) molecule on neutral, cationic, and anionic Pd-n (n=1-5) clusters. NO coordinate to one Pd atom of the cluster by the end-on mode, where the tilted end-on structure is more favorable due to the additional electron in the * orbital. On the contrary, in the neutral and cationic Pd-2 system, NO coordinates to the bridge site of cluster preferably by the side-on mode. Charge transfer between Pd clusters and NO molecule and the corresponding weakening of NO bond is an essential factor for the adsorption. The NO stretching frequency follow the order of cationic\>neutral\>anionic. Binding energy of NO on anionic clusters is found to be greater than those of neutral and cationic clusters. (c) 2015 Wiley Periodicals, Inc.

}, keywords = {Density functional theory, electronic property, geometric configuration, NO adsorption, small palladium cluster}, issn = {0020-7608}, doi = {10.1002/qua.24914}, author = {Begum, Pakiza and Gogoi, Pranjal and Mishra, Bhupesh Kumar and Deka, Ramesh Chandra} } @article { ISI:000346236000077, title = {Thermodynamic and kinetic characterization of transmembrane helix association}, journal = {Physical Chemistry Chemical Physics}, volume = {17}, number = {2}, year = {2015}, month = {NOV}, pages = {1390-1398}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The transient dimerization of transmembrane proteins is an important event in several cellular processes and computational methods are being increasingly used to quantify their underlying energetics. Here, we probe the thermodynamics and kinetics of a simple transmembrane dimer to understand membrane protein association. A multi-step framework has been developed in which the dimerization profiles are calculated from coarse-grain molecular dynamics simulations, followed by meso-scale simulations using parameters calculated from the coarse-grain model. The calculated value of Delta G(assoc) is approx. -20 kJ mol(-1) and is consistent between three methods. Interestingly, the meso-scale stochastic model reveals low dimer percentages at physiologically-relevant concentrations, despite a favorable Delta G(assoc). We identify generic driving forces arising from the protein backbone and lipid bilayer and complementary factors, such as protein density, that govern self-interactions in membranes. Our results provide an important contribution in understanding membrane protein organization and linking molecular, nano-scale computational studies to meso-scale experimental data.

}, issn = {1463-9076}, doi = {10.1039/c4cp03732d}, author = {Pawar, Aiswarya B. and Deshpande, Sneha A. and Gopal, Srinivasa M. and Wassenaar, Tsjerk A. and Athale, Chaitanya A. and Sengupta, Durba} } @article { ISI:000364074300007, title = {Titanium superoxide - a stable recyclable heterogeneous catalyst for oxidative esterification of aldehydes with alkylarenes or alcohols using TBHP as an oxidant}, journal = {Organic \& Biomolecular Chemistry}, volume = {13}, number = {43}, year = {2015}, month = {SEP}, pages = {10631-10640}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Titanium superoxide efficiently catalysed the oxidative esterification of aldehydes with alkylarenes or alcohols, under truly heterogeneous conditions, to afford the corresponding benzyl and alkyl esters in excellent yields. Mechanistic studies have established that this {\textquoteleft}{\textquoteleft}one pot{\textquoteright}{\textquoteright} direct oxidative esterification process proceeds through a radical pathway, proven by a FTIR spectral study of a titanium superoxide-aldehyde complex as well as spin trapping experiments with TEMPO. The intramolecular version of this protocol has been successfully demonstrated in the concise synthesis of 3-butylphthalide, an anti-convulsant drug.

}, issn = {1477-0520}, doi = {10.1039/c5ob01586c}, author = {Dey, Soumen and Gadakh, Sunita K. and Sudalai, A.} } @article { 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:000354043200025, title = {Trifunctional mesoporous silica-based, highly active catalyst for one-pot, three-step cascade reactions}, journal = {Chemical Communications}, volume = {51}, number = {40}, year = {2015}, month = {APR}, pages = {8496-8499}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

We report the synthesis of a trifunctional catalyst containing amine, sulphonic acid and Pd nanoparticle catalytic groups anchored on the pore walls of SBA-15. The catalyst efficiently catalyzes one-pot three-step cascade reactions comprising deacetylation, Henry reaction and hydrogenation, giving up to similar to 100\% conversion and 92\% selectivity to the final product.

}, issn = {1359-7345}, doi = {10.1039/c5cc01694k}, author = {Biradar, Ankush V. and Patil, Vijayshinha S. and Chandra, Prakash and Doke, Dhananjay S. and Asefa, Tewodros} } @article { ISI:000355856200034, title = {Tris-hydroxymethylaminomethane (THAM): a novel organocatalyst for a environmentally benign synthesis of medicinally important tetrahydrobenzo[b]pyrans and pyran-annulated heterocycles}, journal = {New Journal of Chemistry}, volume = {39}, number = {6}, year = {2015}, month = {MAR}, pages = {4452-4463}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

simple, efficient and environmentally benign protocol has been developed for the one-pot, multicomponent synthesis of medicinally important tetrahydrobenzo[b]pyrans and pyran-annulated heterocycles using a commercially available, inexpensive, non-toxic, and biodegradable tris-hydroxymethylaminomethane (THAM) as a novel organocatalyst. Ambient reaction conditions, wide scope, avoidance of conventional isolation as well as purification techniques and the reusability of the catalyst for five consecutive runs have improved the practical utility of this multicomponent reaction protocol manifold.

}, issn = {1144-0546}, doi = {10.1039/c4nj02346c}, author = {Pandit, Kapil S. and Chavan, Pramod V. and Desai, Uday V. and Kulkarni, Makarand A. and Wadgaonkar, Prakash P.} } @article { ISI:000360677400002, title = {Triterpenoid profiling and functional characterization of the initial genes involved in isoprenoid biosynthesis in neem (Azadirachta indica)}, journal = {BMC Plant Biology}, volume = {15}, year = {2015}, month = {SEP}, pages = {Article Number: 214}, publisher = {BIOMED CENTRAL LTD}, address = {236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND}, abstract = {

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

}, keywords = {Azadirachta indica, Quantitative profiling, Transcriptome, Triterpenoids}, issn = {1471-2229}, doi = {10.1186/s12870-015-0593-3}, author = {Pandreka, Avinash and Dandekar, Devdutta S. and Haldar, Saikat and Uttara, Vairagkar and Vijayshree, Shinde G. and Mulani, Fayaj A. and Aarthy, Thiagarayaselvam and Thulasiram, Hirekodathakallu V.} } @article { ISI:000351235800053, title = {Tunable band gap and coercivity of bismuth ferrite-polyaniline core-shell nanoparticles: the role of shell thickness}, journal = {RSC Advances}, volume = {5}, number = {30}, year = {2015}, month = {MAR}, pages = {23563-23568}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

We report a tunable band gap of bismuth ferrite-polyaniline core-shell nanoparticles from 2.24 to 1.98 eV and the variation of coercivity from 118 to 100 Oe, by varying the thickness of the polyaniline shell. Bismuth ferrite nanoparticles were synthesized via a chemical route and coating of polyaniline was achieved by a double surfactant layer technique. Coating of polyaniline introduced oxygen vacancies, local distortions and microstrains in the bismuth ferrite lattice which resulted in a change in the Fe-O-Fe bond angle of the bismuth ferrite lattice. This is confirmed with structural analysis tools i.e. X-ray Diffraction, Fourier Transform Infrared Spectroscopy and Raman spectroscopy. Moreover, the absorption of light around 600 nm is increased and photoluminescence emission around 430 nm is decreased, as the thickness of shell is increased, which also indicates the changes in optical properties due to variation in shell thickness. Thus tunability of the band gap and coercivity is achieved as a function of shell thickness in bismuth ferrite-polyaniline core-shell nanoparticles.

}, issn = {2046-2069}, doi = {10.1039/c5ra00933b}, author = {Chaturvedi, Smita and Das, Raja and Poddar, Pankaj and Kulkarni, Sulabha} } @article { ISI:000348366500030, title = {Tuning of multiple luminescence outputs and white-light emission from a single gelator molecule through an ESIPT coupled AIEE process}, journal = {Chemical Communications}, volume = {51}, number = {11}, year = {2015}, month = {DEC}, pages = {2130-2133}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A unique example of an ESIPT coupled AIEE process, associated with a single molecule (1), is utilized for generating multiple luminescent colors (blue-green-white-yellow). The J-aggregated state of 1 forms a luminescent gel in THF and this luminescent property is retained even in the solid state.

}, issn = {1359-7345}, doi = {10.1039/c4cc09211b}, author = {Maity, Arunava and Ali, Firoj and Agarwalla, Hridesh and Anothumakkool, Bihag and Das, Amitava} } @article { ISI:000365070700106, title = {Two new potential barcodes to discriminate dalbergia species}, journal = {Plos One}, volume = {10}, number = {11}, year = {2015}, month = {NOV}, pages = {Article Number: e0142965}, publisher = {PUBLIC LIBRARY SCIENCE}, address = {1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA}, abstract = {

DNA barcoding enables precise identification of species from analysis of unique DNA sequence of a target gene. The present study was undertaken to develop barcodes for different species of the genus Dalbergia, an economically important timber plant and is widely distributed in the tropics. Ten Dalbergia species selected from the Western Ghats of India were evaluated using three regions in the plastid genome (matK, rbcL, trnH-psbA), a nuclear transcribed spacer (nrITS) and their combinations, in order to discriminate them at species level. Five criteria: (i) inter and intraspecific distances, (ii) Neighbor Joining (NJ) trees, (iii) Best Match (BM) and Best Close Match (BCM), (iv) character based rank test and (v) Wilcoxon signed rank test were used for species discrimination. Among the evaluated loci, rbcL had the highest success rate for amplification and sequencing (97.6\%), followed by matK (97.0\%), trnH-psbA (94.7\%) and nrITS (80.5\%). The inter and intraspecific distances, along with Wilcoxon signed rank test, indicated a higher divergence for nrITS. The BM and BCM approaches revealed the highest rate of correct species identification (100\%) with matK, matK+rbcL and matK+trnH-psb loci. These three loci, along with nrITS, were further supported by character based identification method. Considering the overall performance of these loci and their ranking with different approaches, we suggest matK and matK+rbcL as the most suitable barcodes to unambiguously differentiate Dalbergia species. These findings will potentially be helpful in delineating the various species of Dalbergia genus, as well as other related genera.

}, issn = {1932-6203}, doi = {10.1371/journal.pone.0142965}, author = {Bhagwat, Rasika M. and Dholakia, Bhushan B. and Kadoo, Narendra Y. and Balasundaran, M. and Gupta, Vidya S.} } @article { ISI:000349942400010, title = {Ultrafast electron injection, hole transfer, and charge recombination dynamics in cdse QD super-sensitized Re(I)-polypyridyl complexes with catechol and resorcinol moiety: effect of coupling}, journal = {Journal of Physical Chemistry C}, volume = {119}, number = {7}, year = {2015}, month = {FEB}, pages = {3522-3529}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Ultrafast charge-transfer dynamics have been demonstrated in CdSe quantum dots (QD) using two Re(I)-polypyridyl complexes having pendent catechol (Re1,2) and resorcinol (Re1,3) as the sensitizer molecules. The energy level diagram of CdSe QD and Re1,2 and Re1,3 sensitizer reveals that photoexcited hole of CdSe QD can be transferred to both Re1,2 and Re1,3 molecule, and photoexcited Re1,2 and Re1,3 can inject electron in the conduction band, which has been confirmed by steady-state and time-resolved photoluminescence studies with selective photoexcitation. Femtosecond transient absorption studies have been carried out to monitor charge-transfer dynamics in early time scale. Transient absorption spectra show formation of cation radicals for both Re1,2 and Re1,3 in the 550-650 nm region with a peak at 590 nm region and broad absorption in the 650-1000 nm region, which can be attributed to photoexcited electron in the conduction band of CdSe QD. Charge recombination was determined by monitoring the decay of cation radicals as well as decay of an electron and found to be slower in the Re1,3/CdSe system as compared to that of the Re1,2/CdSe system, which is due to weaker electronic coupling in the former system.

}, issn = {1932-7447}, doi = {10.1021/jp5122068}, author = {Debnath, Tushar and Maity, Partha and Banerjee, Tanmay and Das, Amitava and Ghosh, Hirendra N.} } @article { ISI:000351236300059, title = {UV-assisted size sampling and antibacterial screening of lantana camara leaf extract synthesized silver nanoparticles}, journal = {RSC Advances}, volume = {5}, number = {31}, year = {2015}, month = {FEB}, pages = {24513-24520}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Green route synthesized silver nanoparticles are extremely toxic to multidrug resistant bacteria and have widespread applications in biomedical science. If the silver reducing weed extract possesses antimicrobial properties then it can additionally contribute to the medicinal activity. Herein, we present a synthesis of silver nanoparticles by using the weed plant Lantana camara{\textquoteright}s leaf extract. This study shows an easy, quick and cost-effective route to silver nanoparticle synthesis. Size controlled synthesis of Ag-0 nanoparticles is studied and discussed based on optical absorption, photoluminescence, dynamic light scattering (DLS), zeta potential, infrared spectroscopy, X-ray diffraction measurements, FE-SEM and TEM analysis. The synthesis of silver nanoparticles via this green approach shows very high antibacterial activity against E coli (Gram -ve) and S. aureus (Gram +ve) bacteria at a very low concentration (50 ppm Ag nanoparticles). Use of such eco-friendly nanoparticles may open a door for a new range of bactericidal agents.

}, issn = {2046-2069}, doi = {10.1039/c4ra17233g}, author = {Singh, Pradeep Kumar and Bhardwaj, Kirti and Dubey, Parul and Prabhune, Asmita} } @article { ISI:000347302000013, title = {Vanadium in borosilicate glass}, journal = {Journal of the American Ceramic Society}, volume = {98}, number = {1}, year = {2015}, month = {JAN}, pages = {88-96}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Understanding the role of V2O5 within borosilicate glass matrices is important for the development of novel matrices toward immobilization of sulfate containing high-level nuclear wastes. Present investigation shows, within sodium barium borosilicate glass matrix V2O5 can be homogeneously added up to 5mol\% and beyond which it separates out into three phases, for example, (i) silica (ii) Barium (Ba) - Vanadium (V) oxide, and (iii) glass matrix. Si-29 MAS NMR (Nuclear Magnetic Resonance) studies of the samples show that below 5mol\% V2O5 addition, silicate network is dominantly constituted of Q(2) and Q(3) structural units, whereas above this, the network gets more polymerized through formation of Q(3) and Q(4) units. In case of borate network, B-11 MAS NMR investigations revealed that the concentration of BO4 [(0B, 4Si)] unit increases gradually up to 5mol\% and then it decreases at the cost of BO4 [(1B, 3Si)], BO3 (symmetric) and BO3 (asymmetric) units. Micro-Raman analyses of the samples showed that with additions of V2O5 in diluted concentrations, amorphous silicate network remained unaltered, whereas some amplification in signals corresponding to ring-type metaborate and VO5 units exists. It is therefore apparent from both MAS-NMR and micro-Raman studies that with V2O5 additions within the solubility limit (5mol\%), borate network gets depolymerized leading to decrease in hardness from an average value of 5.0-4.2GPa.

}, issn = {0002-7820}, doi = {10.1111/jace.13303}, author = {Sengupta, Pranesh and Dey, Krishna K. and Halder, Rumu and Ajithkumar, Thalasseril G. and Abraham, Geogy and Mishra, Raman K. and Kaushik, Chetan P. and Dey, Goutam K.} } @article {43033, title = {Viridians group streptococci in patients undergoing tooth extraction}, journal = {European Journal of General Medicine}, volume = {12}, year = {2015}, month = {SEP}, pages = {227-233}, abstract = {

The aerobic microflora of the oral cavity consists of viridians group of streptococci (VGS). The present study was carried out with an objective to evaluate the prevalence of VGS in patients undergoing tooth extraction and to study their antibiotic susceptibility pattern. Samples of subgingival dental plaques for microbiological studies were collected from 80 patients undergoing tooth extraction. The isolated streptococci were identified along with their antibacterial susceptibilities by automated Vitek 2 (bioM{\'e}rieux) system in accordance with CLSI standards. A total of 260 VGS strains belonging to 05 phenotypic groups, namely mutans, salivarius, anginosus, sanguinus and mitis groups; along with few strains of Granulicatella like G. adiacens and G. elegans. Altogether a total of 15 species were isolated from the subgingival plaque of 80 patients undergoing tooth extraction. Among the 15 antibiotics tested, highest resistance was observed to lincosamides (36.2\%) followed by macrolides (29.7\%), tetracyclines (17.7\%), cephems (15.1\%), fluoroquinolones (14.4\%), oxazolidinones (13.5\%), streptogramins (12.7 \%) and penicillins (7.9\%). However, all the 260 VGS strains were found susceptible to vancomycin and linezolid. In the subgingival plaque of patients undergoing tooth extraction, approximately 70\% of streptococci belonged to three VGS groups, i.e. mitis, sanguinis and mutans groups. Streptococci of salivarus and anginosus groups were isolated sporadically (5\%). Highest resistance was observed to lincosamides and macrolides (29.7\%). Multiple antibiotic resistance was observed in mitis and salivarius group.

}, doi = {10.15197/sabad.1.12.48}, author = {Dhotre, Shree V. and Dharne, Mahesh S. and Potdar, S. and Suklikar, J. and Suryawanshi, Namdev and Nagoba, Basavraj} } @article { ISI:000355360200058, title = {Vitellibacter nionensis sp nov., isolated from a shallow water hydrothermal vent}, journal = {International Journal of Systematic and Evolutionary Microbiology}, volume = {65}, number = {2}, year = {2015}, month = {FEB}, pages = {692-697}, publisher = {SOC GENERAL MICROBIOLOGY}, address = {MARLBOROUGH HOUSE, BASINGSTOKE RD, SPENCERS WOODS, READING RG7 1AG, BERKS, ENGLAND}, abstract = {

A novel, Gram-stain-negative, non-motile, rod-shaped yellow bacterium, designated VBW088(T) was isolated from a shallow water hydrothermal vent in Espalamaca in the Azores. Phylogenetic analysis based on 16S rRNA gene sequences showed that strain VBW088(T) clustered with three type strains of species of the genus Vitellibacter and exhibited a sequence similarity of 97.3\% with Vitellibacter soesokkakensis RSSK-12(T). However, strain VBW088(T) and V. soesokkakensis RSSK-12(T) exhibited low DNA-DNA relatedness (12.7 +/- 3.5 \%). Strain VBW088(T) was positive for catalase and oxidase. Growth occurred at 10-37 degrees C, with the optimum at 80 degrees C, and at pH 6.0-8.0 (optimum pH 6.0) and in up to 5\% (w/v) NaCl with optimum growth at 1-2\% (w/v) NaCl. The major fatty acids (\>10\%) were iso-C-15:0 (33.5\%) and iso-C-17:0 3-OH (32.0\%). The polar lipids detected in strain VBW088(T) consisted of phosphatidylethanolamine, one unidentified aminolipid and three unidentified phospholipids. The DNA G+C content of strain VBW088(T) was 36.7 mol\%. On the basis of phylogenetic inference, DNA-DNA relatedness, chemotaxonomic analysis and physiological data, the isolate represents a novel species of the genus Vitellibacter, for which the name Vitellibacter nionensis sp. nov. is proposed, with the type strain as VBW088(T). (=KCTC 32420(T)=MCC 2354(T)).

}, issn = {1466-5026}, doi = {10.1099/ijs.0.070805-0}, author = {Rajasabapathy, Raju and Mohandass, Chellandi and Yoon, Jung-Hoon and Dastager, Syed Gulam and Liu, Qing and Thi-Nhan Khieu and Chu Ky Son and Li, Wen-Jun and Colaco, Ana} } @article { ISI:000359166300077, title = {Zinc inhibits glycation induced structural, functional modifications in albumin and protects erythrocytes from glycated albumin toxicity}, journal = {International Journal of Biological Macromolecules}, volume = {79}, year = {2015}, month = {AUG}, pages = {601-610}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The present work aims to investigate the concentration and time dependant effect of zinc on the in vitro non enzymatic modifications of albumin by diabetic levels of glucose. Further, preventive and curative effect of zinc was studied by adding zinc before and after initiation of glycation respectively. Glycation of albumin was done at different concentrations of zinc (125, 250 and 500 mu M) at different time intervals (21,28 and 35 days) with appropriate controls. The antiglycation potential of zinc was assessed by estimating different markers of albumin glycation (fructosamines, carbonyls, bound sugar, AGEs), structural modifications (free amino, thiol group, beta amyloid, native PAGE, ANS binding, fluorescence lifetime decay and CD analysis) and functional properties (antioxidant activity, hemolysis). Zinc at highest concentration (500 mu M) significantly reduced modifications of albumin which was comparable to aminoguanidine and also protected secondary and tertiary structure of albumin after 28 days of incubation. Zinc exhibited significant protective effect on erythrocytes by inhibiting hemolysis. Thus the present study indicate preventive mode of albumin glycation inhibition by zinc. (C) 2015 Elsevier B.V. All rights reserved.

}, keywords = {Albumin, Erythrocytes, Glycation}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2015.05.028}, author = {Tupe, Rashmi and Kulkarni, Amruta and Adeshara, Krishna and Sankhe, Neena and Shaikh, Shamim and Dalai, Sayli and Bhosale, Siddharth H. and Gaikwad, Sushama M.} } @article {43598, title = {10000-Fold enhancement in proton conduction by doping of cesium ions in a proton-conducting zwitterionic metal-organic framework}, journal = {European Journal of Inorganic Chemistry}, year = {2016}, month = {SEP}, pages = {4382-4386}, abstract = {Developing metal-organic framework (MOF)-based proton-conducting electrolytes for fuel-cell applications is an important target that has drawn a lot of attention. A key approach involves the selective replacement of the guest species within the pores to enhance performance. The modular and crystalline nature of the MOF permits controlled introduction of such species and characterization of their compositions with high precision, a task which is very difficult to achieve in amorphous polymers. Herein, we partially replaced the protons of a zwitterionic pyridinol in Mg(terephthalate)(pyridinol) MOF 1 with Cs+ ions, which brought about a 10000-fold increase in the proton conductivity (10(-6) to 10(-2) S cm(-1)). Interestingly, Li+ ions could not be loaded, whereas Cs+ ions with smaller hydrated ionic radii could be loaded, and the loading was controlled as a function of time. The Cs+ loading nearly halved the activation energy (from 0.35 for 1 to 0.19 eV for _Cs). The highest conductivities were realized for an optimal loading of Cs+ ions, which was found to be about 10 \% in this case.}, doi = {10.1002/ejic.201600364}, author = {Shalini, Sorout and Aggarwal, Shubhangi and Singh, Santosh K. and Dutt, Malvika and Ajithkumar, Thallaseril G. and Vaidhyanathan, Ramanathan} } @article { ISI:000382246400001, title = {1000-fold enhancement in proton conductivity of a MOF using post-synthetically anchored proton transporters}, journal = {Scientific Reports}, volume = {6}, year = {2016}, month = {AUG}, pages = {32489}, publisher = {NATURE PUBLISHING GROUP}, address = {MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND}, abstract = {

Pyridinol, a coordinating zwitter-ionic species serves as stoichiometrically loadable and non-leachable proton carrier. The partial replacement of the pyridinol by stronger hydrogen bonding, coordinating guest, ethylene glycol (EG), offers 1000-fold enhancement in conductivity (10(-6) to 10(-3) Scm(-1)) with record low activation energy (0.11 eV). Atomic modeling coupled with C-13-SSNMR provides insights into the potential proton conduction pathway functionalized with post-synthetically anchored dynamic proton transporting EG moieties.

}, issn = {2045-2322}, doi = {10.1038/srep32489}, author = {Shalini, Sorout and Dhavale, Vishal M. and Eldho, Kavalakal Mathai and Kurungot, Sreekumar and Ajithkumar, Thalasseril G. and Vaidhyanathan, Ramanathan} } @article { ISI:000378005600001, title = {2016 New talent: crystal engineering at its biggest and strongest}, journal = {Crystengcomm}, volume = {18}, number = {22}, year = {2016}, month = {MAY}, pages = {3963-3967}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, issn = {1466-8033}, doi = {10.1039/c6ce90060g}, author = {Banerjee, Rahul and Day, Graeme M. and Friscic, Tomislav and Zhang, Hongjie} } @article {43576, title = {[2]Pseudorotaxane formation with fret based luminescence response: demonstration ofboolean operations through self sorting on solid surface}, journal = {Journal of Organic Chemistry}, volume = {81}, year = {2016}, month = {OCT}, pages = {8977-8987}, abstract = {Binary pseudorotaxane formation between an aza crown derivative as host (H) and two different imidazolium derivatives as guests (G(1) and G(2)) have been studied in detail by NMR (H-1 NMR, 2D NOESY), optical (steady state electronic and emission spectroscopy), and mass spectroscopy. Binding stoichiometry (1:1), association constant for the respective [2]pseudorotaxane formation (K-a(H center dot G1) = (2.61 +/- 0.015) X 10(3) M-1 and K-a(H center dot G2) = (1.27 +/- 0.16) X 10(3) M-1), and associated thermodynamic parameters are also evaluated based on isothermal titration calorimetric (ITC) studies. FRET based luminescence ON responses are observed on formation of the binary pseudorotaxane (H center dot G(1) and H center dot G(2)) in a nonpolar medium like dichlororriethane. The thermodynamic feasibility of such an energy transfer process is also examined. The higher affinity of H and 18-crown-6 toward K+, as compared to those toward G(1) or G(2), and the reversibility in the host- guest binding process are utilized in demonstrating the self-sorting phenomena with associated changes in luminescence responses that could be correlated for Boolean operators like YES, INHIBIT, OR, and AND gates.}, doi = {10.1021/acs.joc.6b01631}, author = {Gangopadhyay, Monalisa and Maity, Arunava and Dey, Ananta and Das, Amitava} } @article {42976, title = {3D Polyaniline architecture by concurrent inorganic and organic acid doping for superior and robust high rate supercapacitor performance}, journal = {Scientific Reports}, volume = {6}, year = {2016}, month = {FEB}, pages = {Article No. 21002}, doi = {10.1038/srep21002}, author = {Gawli, Yogesh and Banerjee, Abhik and Dhakras, Dipti and Deo, Meenal S. and Bulani, Dinesh and Wadgaonkar, Prakash P. and Shelke, Manjusha and Ogale, Satishchandra} } @article { ISI:000372335600061, title = {Actinorectispora indica gen. nov., sp nov isolated from soil, a member of the family pseudonocardiaceae}, journal = {International Journal of Systematic and Evolutionary Microbiology}, volume = {66}, number = {2}, year = {2016}, month = {FEB}, pages = {939-945}, publisher = {SOC GENERAL MICROBIOLOGY}, address = {MARLBOROUGH HOUSE, BASINGSTOKE RD, SPENCERS WOODS, READING RG7 1AG, BERKS, ENGLAND}, abstract = {

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

}, issn = {1466-5026}, doi = {10.1099/ijsem.0.000814}, author = {Quadri, Syed Raziuddin and Tian, Xin-Peng and Zhang, Jing and Al Ruwaili, Jamal and Hozzein, Wael N. and Agsar, Dayanand and Li, Wen-Jun and Dastager, Syed Gulam} } @article { ISI:000373747700077, title = {Additive mediated syn-anti conformational tuning at nucleation to capture elusive polymorphs: remarkable role of extended pi-stacking interactions in driving the self-assembly}, journal = {Crystal Growth \& Design}, volume = {16}, number = {4}, year = {2016}, month = {APR}, pages = {2416-2428}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Understanding the process of prenucleation clustering at supersaturating stage is of significant importance to envisage the polymorphism in crystalline materials. Preferential formation of a thermodynamically stable crystal form suggests energetically favored patterns of interactions which control molecular aggregation during nucleation. Introduction of additives during crystallization is sometimes used as a suitable strategy to obtain metastable polymorphs in cases where it is not easy to capture the same by conventional crystallization methods. Comparative analysis of energy relationships and intermolecular interactions between thermodynamically stable and metastable crystal forms provides valuable clues about the nature of growth synthons at prenucleation clustering and preferential crystallization of the thermodynamic form. Conformationally flexible sulfonamide/sulfoester derivatives constituting electron rich and electron deficient aromatic rings were synthesized to study the interplay between pi-stacking and hydrogen bonding synthons. We have identified and characterized the thermodynamically stable and metastable elusive polymorphs of aromatic sulfonamides 1 and 2 and sulfoesters 3 and 4. However, these compounds eluded polymorphism during crystallisation from various common solvents/conditions and only produced thermodynamically stable crystals forms (form I crystals). Surprisingly, exploitation of pyrazinamide as an additive in different stoichiometric ratios during crystallization gave elusive polymorphs [three for 1 (form 1II, form 1III, and form 1IV) and one each for 2 (form 2II), 3 (form 3II), and 4 (form 4II)]. Molecules in stable crystal forms of these compounds are linked via extended chains of parallel displaced pi...pi stacking interactions that seem to play a vital role in driving the self-assembly of molecules and subsequently governing the nucleation process. In contrast, molecules in metastable polymorphs are devoid of such extended pi-stacking assemblies. Interestingly, differential scanning calorimetry, hot stage microscopy, and X-ray crystallographic studies confirmed the thermal crystal-to-crystal transition of all three metastable polymorphs of 1 (form 1II, form 1III, and form 1IV) to its thermodynamically stable crystal form (form 1I). Conformational analysis of molecule 1 using density functional theory calculations also validated higher stability for syn conformation (observed in Form 1I crystals) over anti and midway conformations (seen in metastable polymorphs). Melt crystallization of form 1I crystals of 1 on the larger face (001) of delta-pyrazinamide and lattice matching analysis (GRACE) revealed that the layered arrangement of molecules of delta-pyrazinamide (on 001 face) during heterogeneous nucleation acts as a template (heteroepitaxy) to provide a preferential site for the nucleation of new metastable polymorphs by selectively inhibiting the most preferred crystal form from growing into the nucleus. Solution state one- and two-dimensional (NOESY) H-1 NMR, scanning electron microscopy, and a Cambridge Structural Database survey were conducted to substantiate the role of additives during crystallization.

}, issn = {1528-7483}, doi = {10.1021/acs.cgd.6b00204}, author = {Gawade, Rupesh L. and Chakravarty, Debamitra K. and Kotmale, Amol and Sangtani, Ekta and Joshi, Pranaya V. and Ahmed, Awais and Mane, Manoj V. and Das, Susanta and Vanka, Kumar and Rajamohanan, Pattuparambil R. and Puranik, Vedavati G. and Gonnade, Rajesh G.} } @article {43606, title = {Adsorptive removal of 2,4-dichlorophenoxyacetic acid from aqueous solution using bagasse fly ash as adsorbent in batch and packed-bed techniques}, journal = {Clean Technologies and Environmental Policy}, volume = {18}, year = {2016}, month = {AUG}, pages = {1971-1983}, abstract = {Among the several synthetic herbicides available currently, 2,4-D is a commonly used herbicide to control broadleaf weeds in agriculture and forestry. However, its increasing use in agricultural and nonagricultural activities has resulted in increasing concentrations of 2,4-D being detected in water bodies. Thus, there is a need to identify methods to remove 2,4-D to protect the environment. Among the various methods used for 2,4-D removal, adsorption is found to be effective, and several adsorbents have been studied to remove 2,4-D from aqueous solutions. In this study, we used bagasse fly ash (BFA), a common industrial waste generated in large amount worldwide, for 2,4-D removal from aqueous solution using batch and continuous packed-bed adsorption. In the batch adsorption process, the effects of initial concentration, contact time, temperature, pH, and particle size of BFA were studied. The packed-bed performance of BFA was investigated by varying the influent concentration (50-150 mg/L), flow rate (1.2-4 mL/min), and bed height (4.5-9 cm). Isotherm and thermodynamic parameters are determined for batch adsorption, whereas the performance of continuous adsorption is evaluated by different packed-bed models. The particle-size effect indicated the higher removal of 2,4-D on the bigger particles of BFA due to greater BET surface area and carbon-to-silica ratio than smaller particles. The maximum percentage removal (37.04) is achieved for an influent concentration of 50 mg/L, flow rate of 1.2 mL/min, and bed height of 6.5 cm. For the first time ever, the deactivation kinetic model was applied for the solid-liquid adsorption system and it showed the best fit among the selected models. The bed capacity (m(2)/g) of BFA is three times greater than synthetic activated carbon for adsorption of 2,4-D. This informs that the BFA can be used as an adsorbent for 2,4-D removal from aqueous solution.}, doi = {10.1007/s10098-016-1124-0}, author = {Deokar, Sunil K. and Mandavgane, Sachin A. and Kulkarni, Bhaskar D.} } @article {43639, title = {Adsorptive removal of diuron on biomass ashes: a comparative study using rice husk ash and bagasse fly ash as adsorbents}, journal = {Desalination and Water Treatment}, volume = {57}, year = {2016}, month = {JAN}, pages = {22378-22391}, abstract = {This study describes the use of two types of biomass ashes (BMAs) as adsorbents for diuron removal. Two BMAs, namely rice husk ash (RHA) and bagasse fly ash (BFA), were used in this study, and their adsorption behavior and adsorption mechanism were compared based on various characteristics, such as surface area, pore diameter, and volume. It was found that the particle size and the composition of these BMAs, especially the content of carbon and silica, primarily affect the adsorption kinetics and capacity. Compared with RHA, BFA has more carbon content (47.37\%), and therefore shows higher adsorption capacity (43.48mol/g). In addition, BFA has larger external surface area and exhibited faster kinetics at the initial adsorption stage; by contrast, RHA due to its larger pore diameter allows for faster pore adsorption and surpasses the initial kinetic rate of BFA. For the same particle size (0.354-0.251mm), the equilibrium capacity of BFA was found to be four times greater than that of RHA; in addition, the surface area of BFA is two times more than that of RHA, suggesting that BFA has more active sites than RHA. It was found that solution pH influences adsorption mechanism of diuron molecule on BMA. The uptake capacity of BFA and RHA is 10 times greater than natural adsorbents such as soil and is comparable with synthetic adsorbents such as activated carbon and multiwalled carbon nanotubes. To our knowledge, removal of diuron using ashes has not been reported previously.}, doi = {10.1080/19443994.2015.1132394}, author = {Deokar, Sunil K. and Singh, Diksha and Modak, Sweta and Mandavgane, Sachin A. and Kulkarni, Bhaskar D.} } @article {43607, title = {Agro-industrial waste: a low cost adsorbent for effective removal of 4-chloro-2-methylphenoxyacetic acid herbicide in batch and packed bed modes}, journal = {Environmental Science and Pollution Research}, volume = {23}, year = {2016}, month = {AUG}, pages = {16164-16175}, abstract = {The present work describes the aqueous phase removal of 4-chloro-2-methylphenoxyacetic acid herbicide by rice husk ash (RHA) using batch and packed bed adsorption techniques. The effects of dosage, initial concentration, time, pH, temperature, and particle size of adsorbent in batch compared with effects of influent concentration, flow rate, and bed height in packed bed were studied. The particle size effect reveals that the removal is dependent on chemical composition (silica and carbon content) together with BET surface area of RHA. The aptness of Langmuir isotherm to batch data indicates the favorable adsorption whereas that of Temkin isotherm informs the heterogeneous nature of RHA. The kinetics of adsorption follows the pseudo-second order and Elovich models while thermodynamics of process indicates the exothermic adsorption. Among the models applied in packed bed study, the deactivation kinetic, Yoon-Nelson and bed depth service time (BDST) models are suitable to explain the packed bed adsorption. The adsorption capacity of RHA in packed bed study is found greater than that in batch. The adsorption capacity of RHA determined by the BDST model is 3019 mg/L for 90 \% saturation of bed. The adsorption capacity of RHA based on weight is similar to 2.3 times and that based on surface area is similar to 55.55 times greater than that of granular activated carbon.}, doi = {10.1007/s11356-016-6769-z}, author = {Deokar, Sunil K. and Mandavgane, Sachin A. and Kulkarni, Bhaskar D.} } @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:000372759100036, title = {Amelioration of excision wounds by topical application of green synthesized, formulated silver and gold nanoparticles in albino Wistar rats}, journal = {Materials Science \& Engineering C-Materials for Biological Applications}, volume = {62}, year = {2016}, month = {MAY}, pages = {293-300}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Wound healing, a complex biological process, has attained a lot of attention as dermatologists are primarily interested in stimulated wound closure without formation of scar or a faint scar. The recent upsurgence of nanotechnology has provided novel therapeutic materials in the form of silver and gold nanoparticles which accelerate the wound healing process. The effect of formulated nanoparticles using Coleus forskohlii root extract (green synthesized) has been tried out for ameliorating full thickness excision wounds in albino Wistar male rats. The evaluation of in vivo activity of nanoparticles in wound healing was carried out on open wounds made by excision on the dorsal sides of albino Wistar rats under anesthesia, and the healing of the wounds was assessed. Histological aspects of the healing process were studied by a HE (Hematoxylin and Eosin) staining method to assess various degrees of re-epithelialization and the linear alignment of the granulation tissue whereas Van Gieson{\textquoteright}s histochemical staining was performed to observe collagen fibers. The healing action shown by the formulated nanoparticles was remarkable during the early stages of wound healing, which resulted in the substantial reduction of the whole healing period. Topical application of formulated gold nanoparticles was found to be more effective in suppressing inflammation and stimulating re-epithelialization compared to silver nanoparticles during the healing process. The results throw light on the amelioration of excision wounds using nanoparticles which could be a novel therapeutic way of improving wound healing in clinical practice. The mechanism of advanced healing action of both types of nanoparticles could be due to their antimicrobial, antioxidant and anti-inflammatory properties. (C) 2016 Elsevier B.V. All rights reserved.

}, keywords = {collagen, Gold, green synthesis, Nanopraticles, wound Healing}, issn = {0928-4931}, doi = {10.1016/j.msec.2016.01.069}, author = {Naraginti, Saraschandra and Kumari, P. Lakshmi and Das, Raunak Kumar and Sivakumar, A. and Patil, Sagar Hindurao and Andhalkar, Vaibhav Vilas} } @article { ISI:000372253700012, title = {Anion coordinated capsules and pseudocapsules of tripodal amide, urea and thiourea scaffolds}, journal = {RSC Advances}, volume = {6}, number = {32}, year = {2016}, month = {MAR}, pages = {26568-26589}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

This review aims to deliver a detailed and comparative account of the reported examples of anion (halide and oxyanions) coordinated capsules and pseudocapsules of tripodal receptors that employ hydrogen bonds and/or electrostatic hydrogen bonds offered by specific binding sites from amide, urea and thiourea functionalities. The review discusses both the structural aspects of anion binding and solution-state anion binding affinities of N-bridged and aryl-bridged tripodal receptors. Discussions relating to selective anion recognition and separation, carbondioxide uptake, and transmembrane anion transport, as demonstrated by some of these tripodal receptors have also been included in this review.

}, issn = {2046-2069}, doi = {10.1039/c6ra00268d}, author = {Dey, Sandeep Kumar and Basu, Arghya and Chutia, Romen and Das, Gopal} } @article { ISI:000378790600010, title = {Anti-oxidant properties of ficus religiosa L. Bark extract on human keratinocytes}, journal = {Science of Advanced Materials}, volume = {8}, number = {6}, year = {2016}, month = {JUN}, pages = {1221-1226}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USA}, abstract = {

Ficus religiosa (Sacred Fig) is a medicinally important tree, native to the Indian subcontinent. It has been extensively pharmacologically researched species having wide spectrum of medicinal properties. All parts of F. religiosa tree are known to possess important medicinal properties such as anti-oxidant, anti-inflammatory, wound healing and skin diseases etc. However, effects of F. religiosa on skin cells line HaCaT was not studied for its antioxidant properties. In this report we have investigated F. religiosa bark aqueous extract for its antioxidant properties on human keratinocytes (HaCaT) cell line using DPPH, superoxide dismutase 1, superoxide dismutase 2 and catalase assay. We observed that F. religiosa bark aqueous extract efficiently scavenged (80\%) DPPH radicals. Superoxide dismutase1 assay of F. religiosa bark aqueous extract effectively scavenged superoxide radicals (O-2(-)) and showed dose dependent activity. Reactive oxygen species were trapped by superoxide dismutase 2 assay of F. religiosa bark aqueous extract and form hydrogen peroxide. Catalase assay results revelled that hydrogen peroxide was further decomposed to give water and oxygen. Thus various anti-oxidant assays of F. religiosa bark aqueous extract indicate that it efficiently reduced the reactive oxygen species in skin cells.

}, keywords = {Anti-Oxidant, Catalase Assay, DPPH Assay, Ficus religiosa, Keratinocyte HaCaT Cell Line, Moraceae, SOD Assay}, issn = {1947-2935}, doi = {10.1166/sam.2016.2740}, author = {Dixit, Shailesh S. and Kulkarni, Atul and Seo, Hyo Hyun and Gadgil, Jayant and Dingre, Medini and Umar, Ahmad and Moh, Sang Hyun and Parasharami, Varsha A.} } @article { ISI:000377464900011, title = {Antioxidative metabolites synthesized by marine pigmented vibrio sp and its protection on oxidative deterioration of membrane lipids}, journal = {Applied Biochemistry and Biotechnology}, volume = {179}, number = {1}, year = {2016}, month = {APR}, pages = {155-167}, publisher = {HUMANA PRESS INC}, address = {999 RIVERVIEW DRIVE SUITE 208, TOTOWA, NJ 07512 USA}, abstract = {

Bacterial strain Vibrio sp. (PIGB 184) isolated from water samples of the Arabian Sea and identified through 16S rRNA demonstrated the production of pigmentary antioxidants with higher ABTS activities 90.9 +/- 0.42 \% in comparison with the standard commercial pigmented antioxidant, quercetin 88.8 +/- 1.4 \%. Antioxidative metabolites of this strain substantially inhibit the lipid peroxidation (LPO) reactions tested in sheep liver and brain. The antioxidant compounds produced by the Vibrio sp. (PIGB 184), analysed by GC-MS, reveals that it is composed mostly of phenol, 2,4-bis(1,1-dimethylethyl) and pyrrolo[1,2-a]pyrazine-1,4-dione,hexahydro-3-(2-methylpropyl). The interrelationship assessed between LPO and the phenolic compounds showed significant correlation with anti-LPO properties (R (2) = 0.9698 to 0.9861). These compounds are responsible for obstruction of harmful radical associated biochemical reactions in biological systems. Pigmented metabolites also tested for attributive biological properties against pathogenic bacteria showed prominent inhibition towards Gram-positive organisms (31.25 to 62.5 mu g ml(-1)). From this study, it may be suggested that the marine bacterium PIGB 184 could be used as a potential bio-resource for antioxidants and needs to be worked out for mass production.

}, keywords = {Antioxidants, Lipid peroxidation, Marine pigmented bacteria, Pathogen inhibition, Phenolics}, issn = {0273-2289}, doi = {10.1007/s12010-016-1985-z}, author = {Pawar, Ravindra and Mohandass, Chellandi and Dastager, Syed Gulam and Kolekar, Yogesh M. and Malwankar, Rahul} } @article { ISI:000377612300010, title = {Asymmetric total synthesis of L-allo-1-deoxynojirimycin}, journal = {Arkivoc}, number = {2}, year = {2016}, month = {OCT}, pages = {137-147}, publisher = {ARKAT USA INC}, address = {C/O ALAN R KATRITZKY, UNIV FLORIDA, DEPT CHEMISTRY, PO BOX 117200, GAINESVILLE, FL 32611 USA}, abstract = {

Asymmetric total synthesis of L-allo-1-deoxynojirimycin (L-allo-DNJ) was achieved from cis-butene-1,4-diol by employing Sharpless asymmetric dihydroxylation, stereoselective flash dihydroxylation and ring enlargement reactions as key steps.

}, keywords = {diastereoselective flash dihydroxylation, ring-enlargement reaction, sharpless asymmetric dihydroxylation}, issn = {1551-7004}, doi = {10.3998/ark.5550190.p009.295}, author = {Chavan, Subhash P. and Dumare, Nilesh B. and Pawar, Kailash P. and Chavan, Prakash N. and Khairnar, Lalit B.} } @article {43611, title = {Asymmetric transfer hydrogenation of cyclic imines in water with a versatile hydrogen donorformic acid/N-methylpiperidine: rapid access to highly enantioselective amines}, journal = {Chemistryselect}, volume = {1}, year = {2016}, month = {JUL}, pages = {2221-2224}, abstract = {Asymmetric transfer hydrogenation (ATH) of cyclic imines in water has been investigated for the first time by using HCOOH in combination with bases other than triethylamine as H donor. Effect of FA/Base ratio has shown significant impact on activity and enantioselectivity for ATH reaction in water. Use of methanol as a co-solvent improved the reduction performance. FA/N-methylpiperidine was found to be excellent, versatile hydrogen donor for ATH of imine 6,7-dimethoxy-1-methyl-3,4-dihy-droisoquinoline (1a) giving by far the highest noted TOF value of 5940 h(-1). ATH of-different imines derivatives including 3, 4-dihydoisoquinolines, beta-carbolines and cyclic sulfonyl imines have been performed with excellent activity (91-99\% yield) and enantioselectivity (88-97\%) in very short time (1-2 min). This is very simple protocol for rapid access to enantioselective amines with very new and versatile hydrogen donor 1.1 FA/Nmethylpiperidine.}, doi = {10.1002/slct.201600497}, author = {Shende, Vaishali S. and Shingote, Savita K. and Deshpande, Sudhindra H. and Kelkar, Ashutosh. A.} } @article {42830, title = {Attempt to correlate surface physics and chemical properties : molecular beam and Kelvin probe investigations of Ce 1-x Zr x O 2 thin films}, journal = {Physical Chemistry Chemical Physics}, volume = {18}, year = {2016}, month = {SEP}, pages = {27594-27602}, type = {Article}, abstract = {

What is the correlation between physical properties of the surfaces (such as surface potential, electronic nature of the surface), and chemical and catalysis properties (such as chemisorption, sticking probability of surface)? An attempt has been made to explore any correlation that might exist between the physical and chemical properties of thin film surfaces. Kelvin probe microscopy (KPM) and the molecular beam (MB) methods were employed to carry out the surface potential, and oxygen adsorption and oxygen storage capacity (OSC) measurements on Ce1-xZrxO2 thin films. A sol{\textendash}gel synthesis procedure and spin-coating deposition method have been applied to make continuous nanocrystalline Ce1-xZrxO2 (x = 0{\textendash}1) (CZ) thin films with uniform thickness (35{\textendash}50 nm); however, surface roughness and porosity inherently changes with CZ composition. MB studies of O2 adsorption on CZ reveal high OSC for Ce0.9Zr0.1O2, which also exhibits highly porous and significantly rough surface characteristics. The surface potential observed from KPM studies varied between 30 and 80 mV, with Ce-rich compositions exhibiting the highest surface potential. Surface potential shows large changes after reduction or oxidation of the CZ film demonstrating the influence of Ce3+/Ce4+ on surface potential, which is also a key to catalytic activity for ceria-based catalysts. The surface potential measured from KPM and the OSC measured from MB vary linearly and they depend on the Ce3+/Ce4+ ratio. More and detailed studies are suggested to arrive at a correlation between the physical and chemical properties of the surfaces.

}, issn = {1463-9076}, doi = {10.1039/C6CP04700A}, author = {Kolekar, Sadhu K. and Dubey, Anjani and Date, Kalyani S. and Datar, Suwarna and Gopinath, Chinnakonda S.} } @article { ISI:000370650200008, title = {Bacillus cellulasensis sp nov., isolated from marine sediment}, journal = {Archives of Microbiology}, volume = {198}, number = {1}, year = {2016}, month = {JAN}, pages = {83-89}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

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

}, keywords = {Bacillus sp, Cellulase, Marine sediment, Polyphasic taxonomy}, issn = {0302-8933}, doi = {10.1007/s00203-015-1155-7}, author = {Mawlankar, Rahul R. and Thorat, Meghana N. and Krishnamurthi, Srinivasan and Dastager, Syed Gulam} } @article { ISI:000369482900019, title = {Behaviour of biomass multicomponent ashes as adsorbents}, journal = {Current Science}, volume = {110}, number = {2}, year = {2016}, month = {JAN}, pages = {180-186}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

Physico-chemical characteristics of rice husk ash and baggase fly ash, commonly referred to as biomass ashes enable their use as adsorbents. Contrary to normal expectations, it is observed that larger particles have more number, narrower and deeper pores than smaller particles. As a consequence they have higher pore volume, total surface area and hence adsorption capacity. Also, the uptake rate of adsorption depends on the silica to carbon ratio, which is seen to be smaller for larger particles and hence they take a longer time to reach equilibrium. The extent of carbon content determines the capacity, whereas silica to carbon ratio determines the kinetics of adsorption. Removal of 2,4-dichlorophenoxyacetic acid, from aqueous solution was chosen as a representative case for study and the results obtained are compared with earlier reported results.

}, keywords = {Adsorption capacity, bagasse, biomass ash, rice husk, silica to carbon ratio}, issn = {0011-3891}, author = {Deokar, Sunil K. and Mandavgane, Sachin A. and Kulkarni, Bhaskar D.} } @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 { ISI:000380362700119, title = {Bioavailability studies of curcumin-sophorolipid nano-conjugates in the aqueous phase: role in the synthesis of uniform gold nanoparticles}, journal = {RSC Advances}, volume = {6}, number = {72}, year = {2016}, month = {JUL}, pages = {68504-68514}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The major limiting factors for curcumin to be accepted as a modern drug, despite its widespread applications, are its low aqueous solubility, low retention time and poor bioavailability. When subjected to a mild physical stress, curcumin is observed to internalize within the micellar hydrophobic core of oleic acid sophorolipid resulting in the formation of curcumin-sophorolipid nanoconjugates (CurSL). These bio-composites show enhanced retention time and increased bioavailability of curcumin in rat models. In the presence of gold salts, CurSL act as potent reducing and capping agents, resulting in the synthesis of monodispersed, spherical gold nanoparticles (CurSL-GNPs) of 8-10 nm in size. Physicochemical, morphological and optical characteristics of both the nanoparticles are discussed based on spectroscopic absorption, photoluminescence (PL), dynamic light scattering (DLS), zeta potential, SEM and TEM measurements. FTIR spectroscopy signatures of these nanoparticles confirm the retention of functional groups in the end products. A retention time of 2 hours in blood plasma and an increase in curcumin recovery by about 150 times that previously reported were observed in the pharmacokinetic (pK(a)) studies performed on Wistar rats. The bio-distribution of gold nanoparticles in rats was studied using EDX, which revealed their presence in different vital organs. The absence of unusual legions or necrosis in histopathological analysis of vital organs in all the rat models suggests the use of curcuminsophorolipid nano-conjugates enhances curcumin bioavailability and the Cur-SL based nano-gold formulation is a good drug delivery carrier.

}, issn = {2046-2069}, doi = {10.1039/c6ra13469f}, author = {Darne, Priti A. and Mehta, Mihir R. and Agawane, Sachin B. and Prabhune, Asmita} } @article { ISI:000380138100025, title = {Bronsted-acid-mediated divergent reactions of betti bases with indoles: an approach to chromeno[2,3-b]indoles through intramolecular dehydrogenative C2-alkoxylation of indole}, journal = {European Journal of Organic Chemistry}, number = {20}, year = {2016}, month = {JUL}, pages = {3441-3448}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {

Divergent reactions of various 1-(aminoalkyl) naphthols and 2-(aminoalkyl) phenols (commonly known as Betti bases) with indoles under Bronsted acid catalysis is reported. With the reaction strategies, one can efficiently synthesize important indole derivatives such as 3-(alpha,alpha-diarylmethyl)indoles and chromeno[2,3-b]indoles. Furthermore, we disclose here a new C-C bond-cleavage reaction, in which naphthol and phenol behave as leaving groups to produce diarylmethanes. Inexpensive reagents such as p-toluenesulfonic acid monohydrate and molecular iodine are used to catalyze the reactions. No metal catalyst is required. The starting material of the reactions, Betti bases, are easily prepared from a three-component reaction of naphthol/phenol, aldehydes, and secondary amines. The mechanisms for the reactions are established through some control experiments. Quinone methide is the key intermediate for all the reactions reported herein.

}, keywords = {Betti bases, C-O bond formation, Dearylation, Fused-ring systems, nitrogen heterocycles}, issn = {1434-193X}, doi = {10.1002/ejoc.201600546}, author = {Deb, Mohit L. and Pegu, Choitanya Dev and Deka, Bhaskar and Dutta, Prantu and Kotmale, Amol S. and Baruah, Pranjal K.} } @article { ISI:000374626200017, title = {Catalytic decarboxylation of non-edible oils over three-dimensional, mesoporous silica-supported Pd}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {417}, year = {2016}, month = {JUN}, pages = {126-134}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Deoxygenation of fatty acids (oleic and stearic acids) and non-edible oil (jatropha oil) over Pd(1-5 wt\%) supported on two structurally different, three-dimensional, mesoporous silica (SBA-12 and SBA-16) catalysts was investigated. Pd/SBA-16 (cubic mesoporous structure with space group Im (3) over barm) showed higher catalytic activity than Pd/SBA-12 (hexagonal mesoporous structure with space group p6(3)/mmc). The influence of reaction parameters like temperature, H-2 pressure and Pd content as well as the nature of the feedstock on catalytic activity and product selectivity was studied. A temperature of above 320 degrees C, reaction time of 5 h and Pd content (on silica surface) of 3 wt\% enabled complete conversion of the fatty compounds into diesel-range hydrocarbons. Deoxygenation proceeded through hydrodeoxygenation and decarboxylation mechanisms when a saturated (stearic) acid was used as a feed while it advanced mainly through decarboxylation route when an unsaturated (oleic) acid was employed. Higher surface hydrophobicity and smaller size particles of Pd are the possible causes for the superior catalytic activity of Pd/SBA-16. (C) 2016 Elsevier B.V. All rights reserved.

}, keywords = {Biofuel, Deoxygenation, Diesel-range hydrocarbons, Mesoporous silica, Supported palladium, Vegetable oil}, issn = {1381-1169}, doi = {10.1016/j.molcata.2016.03.023}, author = {Raut, Ravindra and Banakar, Vikram V. and Darbha, Srinivas} } @article {45845, title = {Cetyl alcohol and oleic acid sophorolipids exhibit anticancer activity}, journal = {International Journal of Pharmacy and Pharmaceutical Sciences}, volume = {8}, year = {2016}, month = {FEB}, pages = {399-402}, type = {Article}, abstract = {Objective: Sophorolipids (SLs) are glycolipid biosurfactants that have been shown to have anticancer activity. We investigated the anti-cancer activity of cetyl alcohol sophorolipids (CAS) and oleic acid sophorolipids (OAS) in breast cancer (MCF-7, MDA-MB-231), cervical cancer (SiHa, HeLa) and non-cancerous (HaCaT and RAW264.7) cell lines. Methods: For cell viability assay, MCF-7, MDA-MB-231, SiHa, HeLa, HaCaT and RAW264.7 cell lines were treated with different concentrations (0-160 μg/ml) of OAS and CAS for 24h. The cell viability was determined by MTT dye uptake method. Cell proliferation assay was determined by using trypan blue dye exclusion method. Results: Our preliminary data shows that compared to OAS, CAS exhibited more significant reduction in the viability of MCF-7, MDA-MB-231 and SiHa. However, compared to CAS, OAS induced more decrease in viability in HeLa cells. Interestingly, both the types of SLs did not affect the viability of non-cancerous cells. Moreover, CAS, when used as a coating material, induced proliferation in macrophage cell line, RAW264.7. Conclusion: The present study provides an important clue towards the anti-cancer potential of OAS and CAS derived from Candida bombicola. Interestingly, the ability of CAS to promote the proliferation of non-cancerous cells suggests its future application as a scaffold for enhancing the adhesion and proliferation of normal cells.}, url = {https://www.scopus.com/inward/record.url?eid=2-s2.0-84959564023\&partnerID=40\&md5=54a0f06b61b63c66744a7580e4e091d6}, author = {Dubey, P. and Raina, P. and Prabhune, A. and Kaul-Ghanekar, R.} } @article {42828, title = {C-H activation of methane to formaldehyde on Ce1-xZrxO2 thin films: a step to bridge the material gap}, journal = {ChemCatChem}, volume = {8}, year = {2016}, month = {DEC}, pages = {3650{\textendash}3656}, type = {Article}, abstract = {

Ce1-xZrxO2 (CZ) thin films were prepared by a combination of sol{\textendash}gel and spin-coating methods and were evaluated for the C-H activation of methane by using a molecular beam set-up with the aim to bridge the material gap. The C-H activation of methane begins at 950 K, and a Ce-rich CZ composition displays a high selectivity (4{\textendash}12 \%) to the partially oxidised product, formaldehyde. A 10{\textendash}12 \% selectivity towards HCHO with 1.6 \% methane conversion was observed with methane-rich CH4/O2 reactant compositions at 1050 K. Short contact times, prevalent under molecular beam conditions, could be a possible reason for HCHO formation. Although combustion products were observed instantly upon shining the mixture of reactants on CZ surfaces, up to 20 s delay was observed before formaldehyde generation, which indicates that the oxygen vacancy migration contributes to the rate-determining step and the diffusion-controlled nature of the reaction. A burst in HCHO generation at the point of molecular beam opening, after beam-closed conditions, suggests that the diffusion of oxygen vacancies to the surface is the reason for HCHO formation. Kinetics results also indicate the necessity of reduction sites for HCHO generation.

}, doi = {10.1002/cctc.201600670}, author = {Dubey, Anjani and Kolekar, Sadhu K. and Gopinath, Chinnakonda S.} } @article {42856, title = {C-H activation of methane to syngas on MnxCe1-x-yZryO2 - a molecular beam study}, journal = {Chemcatchem}, volume = {8}, year = {2016}, month = {JUL}, pages = {2296-2306}, type = {Article}, abstract = {

Mn-doped ceria zirconia thin films (MnxCe1-x-yZryO2, MCZ) were employed as flat model catalyst surfaces for CH4 activation. MCZ films exhibit characteristics of single crystal and powder materials, such as smooth surfaces and porosity. From molecular-beam studies, it has been identified that the oxygen storage capacity increases with Mn content. Mutually exclusive observation of H2O or a mixture of products (CO2+ CO + H-2) occurs, when the reactants was allowed to react directly on MCZ, underscoring their formation or prevention (and consumption), respectively. The results suggest that there is competition and cooperation among different elementary reactions under complementary conditions. From a significant partial oxidation of CH4 through C-H activation, it is found that formation of syngas begins at 700 K and the reaction rate increases with increasing temperature. Kinetic evidences indicate that the reaction proceeds through a combustion-reformation pathway.

}, doi = {10.1002/cctc.201600365}, author = {Dubey, Anjani and Kolekar, Sadhu K. and Gopinath, Chinnakonda S.} } @article {43431, title = {Characterization of roseomonas and nocardioides spp. for arsenic transformation}, journal = {Journal of Hazardous Materials}, volume = {318}, year = {2016}, month = {NOV}, pages = {742-750}, abstract = {The metalloid arsenic predominantly exists in the arsenite [As(III)] and arsenate [As(V)]. These two forms are respectively oxidized and reduced by microbial redox processes. This study was designed to bioprospect arsenic tolerating bacteria from Lonar lake and to characterize their arsenic redoxing ability. Screening of sixty-nine bacterial species isolated from Lonar lake led to identification of three arsenic oxidizing and seven arsenic-reducing species. Arsenite oxidizing isolate Roseomonas sp. L-159a being closely related to Roseomonas cervicalis ATCC 49957 oxidized 2 mM As(III) in 60 h. Gene expression of large and small subunits of arsenite oxidase respectively showed 15- and 17-fold higher expression. Another isolate Nocardioides sp. L-37a formed a clade with Nocardioides ghangwensis JC2055, exhibited normal growth with different carbon sources and pH ranges. It reduced 2 mM As(V) in 36 h and showed constitutive expression of arsenate reductase which increased over 4-fold upon As(V) exposure. Genetic markers related to arsenic transformation were identified and characterized from the two isolates. Moderate resistance against the arsenicals was exhibited by the two isolates in the range of 1-5 mM for As(III) and 1-200 mM for As(V). Altogether we provide multiple evidences to indicate that Roseomonas sp. and Nocardioides sp. exhibited arsenic transformation ability. (C) 2016 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.jhazmat.2016.07.062}, author = {Bagade, Aditi V. and Bachate, Sachin P. and Dholakia, Bhushan B. and Giri, Ashok P. and Kodam, Kisan M.} } @article { ISI:000375969000056, title = {Charge delocalization in the cascade band structure CdS/CdSe and CdS/CdTe core-shell sensitized with Re(I)-polypyridyl complex}, journal = {Journal of Physical Chemistry C}, volume = {120}, number = {18}, year = {2016}, month = {MAY}, pages = {10051-10061}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Charge-carrier dynamics of CdS quantum dot (QD) and CdS/CdSe type-I and CdS/CdTe type-II core shell nanocrystals (NCs) sensitized with a Re(I)-polypyridyl complex have been carried with special emphasis on studies on carrier delocalization and the role of Re-complex as a hole acceptor and sensitizer molecule. Our investigation confirmed photoexcited hole transfer from CdS and CdS/CdSe to the Re-complex, while no hole transfer was observed in the CdS/CdTe Re-complex system. This was rationalized by the evaluation of the relative energy levels, which revealed that such hole migration was not energetically favorable due to low-lying highest occupied molecular orbital (HOMO) of the Re-complex as compared with the valence band (VB) of CdTe shell; however, luminescence quenching from upper excited states of Re-complex was observed in the presence of all three QD and core shell systems, which has been attributed to electron injection from hot state (energetically higher than the LUMO state) of the Re-complex to the conduction band (CB) of the QDs. Transient absorption (lambda(pump) = 400 nm, lambda(probe) = 450-750 nm) spectra recorded for Re complex-sensitized CdS and CdS/CdSe composite in the femtosecond time domain revealed a broad transient absorption band in the 580-750 nm region with a peak around 595 nm, and this was attributed to the cation radical formation for Re-complex, either by capturing photoexcited hole from the NCs or by injecting electron to the CB of the NCs. As anticipated, no such spectrum was observed for the CdS/CdTe Re-complex composite system after 400 nm excitation. Electron injection from photoexcited Re-complex to CdS QD and CdS/CdSe core shell was found to be \<100 fs, while the hole transfer from photoexcited CdS QD and CdS/CdSe core shell to Re-complex took place within the time scale of 900 fs and 2.5 ps, respectively.

}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.6b01654}, author = {Maity, Partha and Debnath, Tushar and Banerjee, Tanmay and Das, Amitava and Ghosh, Hirendra N.} } @article {43415, title = {Chemically delaminated free-standing ultrathin covalent organic nanosheets}, journal = {Angewandte Chemie-International Edition}, volume = {55}, year = {2016}, month = {DEC}, pages = {15604-15608}, abstract = {Covalent organic nanosheets (CONs) are a new class of porous thin two-dimensional (2D) nanostructures that can be easily designed and functionalized and could be useful for separation applications. Poor dispersion, layer restacking, and difficult postsynthetic modifications are the major hurdles that need to be overcome to fabricate scalable CON thin films. Herein, we present a unique approach for the chemical exfoliation of an anthracene-based covalent organic framework (COF) to N-hexylmaleimide-functionalized CONs, to yield centimeter-sized free-standing thin films through layer-by-layer CON assembly at the air-water interface. The thinlayer fabrication technique presented here is simple, scalable, and does not require any surfactants or stabilizing agents.}, doi = {10.1002/anie.201607812}, author = {Khayum, M. Abdul and Kandambeth, Sharath and Mitra, Shouvik and Nair, Sanoop B. and Das, Anuja and Nagane, Samadhan S. and Mukherjee, Rabibrata and Banerjee, Rahul} } @article {43422, title = {Comparative evaluation of packed-bed performance of biomass ashes as adsorbents for removal of diuron from aqueous solution}, journal = {Desalination and Water Treatment}, volume = {57}, year = {2016}, month = {DEC}, pages = {28831-28846}, abstract = {The packed-bed performance of biomass ashes (BMA), namely rice husk ash (RHA) and bagasse fly ash (BFA), was investigated for adsorptive removal of diuron (herbicide) under dynamic conditions. The effects of influent concentration (10-30mg/L), flow rate (1-3mL/min), and bed height (3-11cm) were studied at 30 degrees C and results were analyzed using various packed-bed models. The saturation time and capacity of the BFA bed were found to be approximately 1.5 and 1.6 times higher due to higher BET surface area than that of RHA bed. However, the bed utilization of RHA was higher because of smaller mass transfer zone. At a constant influent concentration (20mg/L) and flow rate (1mL/min), the maximum volume of diuron treated was 1,325 and 1,685mL using RHA (bed height 10cm) and BFA (bed height 11cm), respectively. Among the packed-bed models applied, the BDST model revealed the inconsistent MTZ and complex mechanism involving more than one rate-controlling step for the adsorption of diuron on both ashes. The kinetics in the initial part of the breakthrough curve was governed by external mass transfer according to the Bohart-Adams and Wolborska models. Better agreements between experimental and predicted values of bed capacities for each ash and the higher bed capacity of BFA than RHA were demonstrated by the Thomas model. The Yoon-Nelson model was found to be superior for BFA rather than for RHA to estimate 50\% saturation time. However, the deactivation kinetic model, previously discovered and applied only for gas-solid adsorption, was found to be the best for the diuron-BMA (liquid-solid) adsorption system in this study.}, doi = {10.1080/19443994.2016.1196391}, author = {Deokar, Sunil K. and Mandavgane, Sachin A. and Kulkarni, Bhaskar D.} } @article {42999, title = {Comparative functional characterization of eugenol synthase from four different ocimum species: implications on eugenol accumulation}, journal = {Biochimica Et Biophysica Acta-Proteins and Proteomics}, volume = {1864}, year = {2016}, month = {NOV}, pages = {1539-1547}, abstract = {

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

}, doi = {10.1016/j.bbapap.2016.08.004}, author = {Anand, Atul and Jayaramaiah, Ramesha H. and Beedkar, Supriya D. and Singh, Priyanka A. and Joshi, Rakesh S. and Mulani, Fayaj A. and Dholakia, Bhushan B. and Punekar, Sachin A. and Gade, Wasudeo N. and Thulasiram, Hirekodathakallu V. and Giri, Ashok P.} } @article { ISI:000368941700025, title = {Comparative study of dG affinity vs. DNA methylation modulating properties of side chain derivatives of procainamide: insight into its DNA hypomethylating effect}, journal = {RSC Advances}, volume = {6}, number = {7}, year = {2016}, month = {JAN}, pages = {5350-5358}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Procainamide derivatives have been synthesized to investigate the role of side chains in modulating the DNA methylation level in cancer cells and gain insight into its mechanism of action. The synthesized derivatives comprised of flexible (dimethyl), constrained (pyrrolidine, piperidine, morpholine) and planar aromatic (pyridine, phenyl) side chain motifs. The affinity of procainamide and its derivatives towards the deoxyguanosine (dG) base in neutral form has been assessed by performing Differential Pulse Voltammetry (DPV) under physiological conditions. Further, molecular docking with hemimethylated CpG rich DNA acquired from an active mDNMT-1-DNA (PDB ID-4DA4) crystal structure, reveals their preferential non-covalent interaction with dG nucleobase in the intercalation cavity of the minor groove. Differential affinity of the derivatives to dG base in neutral and bound forms (DNA) is correlated with their DNA methylation modulating properties at sub-lethal concentrations. Among all the derivatives, a compound with an aromatic phenyl side chain (1) has shown a highest binding affinity for dG nucleobase in neutral form as well as for partially denatured CpG rich DNA which is attributed to the formation of p/p stacking interaction in addition to N-H/O hydrogen bonding with the pyrimidine ring of dG base. It also shows the highest cytotoxicity and global hypomethylation at a sub-lethal level in the MCF-7 cancer cell line compared to other derivatives and procainamide. A docking study has also illustrated the plausible structural basis of DNA methylation modulating a property of procainamide. Strong association of procainamide with dG bases of partially denatured CpG rich DNA via H-bonding and other non-covalent interactions may alter the active topology of DNA required by the DNA-binding regulatory proteins (e. g. DNMT-1) which is validated by a DNMT-1 inhibition assay. This systematic investigation leads to a new potent alternative to procainamide being found and gives a plausible insight into the DNA hypomethylating effect of procainamide.

}, issn = {2046-2069}, doi = {10.1039/c5ra20012a}, author = {Gawade, Rupesh L. and Chakravarty, Debamitra K. and Debgupta, Joyashish and Sangtani, E. and Narwade, S. and Gonnade, Rajesh G. and Puranik, Vedavati G. and Deobagkar, D. D.} } @article {43031, title = {Complete metagenome sequencing based bacterial diversity and functional insights from basaltic hot spring of Unkeshwar, Maharashtra, India}, journal = {Genomics Data}, volume = {7}, year = {2016}, month = {MAR}, pages = {140-143}, abstract = {

Unkeshwar hot springs are located at geographical South East Deccan Continental basalt of India. Here, we report the microbial community analysis of this hot spring using whole metagenome shotgun sequencing approach. The analysis revealed a total of 848,096 reads with 212.87Mbps with 50.87\% G+C content. Metagenomic sequences were deposited in SRA database with accession number (SUB1242219). Community analysis revealed 99.98\% sequences belonging to bacteria and 0.01\% to archaea and 0.01\% to Viruses. The data obtained revealed 41 phyla including bacteria and Archaea and including 719 different species. In taxonomic analysis, the dominant phyla were found as, Actinobacteria (56\%), Verrucomicrobia (24\%), Bacteriodes (13\%), Deinococcus-Thermus (3\%) and firmicutes (2\%) and Viruses (2\%). Furthermore, functional annotation using pathway information revealed dynamic potential of hot spring community in terms of metabolism, environmental information processing, cellular processes and other important aspects. Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway analysis of each contig sequence by assigning KEGG Orthology (KO) numbers revealed contig sequences that were assigned to metabolism, organismal system, Environmental Information Processing, cellular processes and human diseases with some unclassified sequences. The Unkeshwar hot springs offer rich phylogenetic diversity and metabolic potential for biotechnological applications.

}, doi = {10.1016/j.gdata.2015.12.031}, author = {Mehetre, Gajanan T. and Paranjpe, Aditi S. and Dastager, Syed Gulam and Dharne, Mahesh S.} } @article { ISI:000370464800023, title = {Complexation key to a pH locked redox reaction}, journal = {Journal of Chemical Education}, volume = {93}, number = {2}, year = {2016}, month = {FEB}, pages = {355-361}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

An unfavorable pH can block a feasible electron transfer for a pH dependent redox reaction. In this experiment, a series of potentiometric titrations demonstrate the sequential loss in feasibility of iron(II) dichromate redox reaction over a pH range of 0-4. The pH at which this reaction failed to occur was termed as a pH locked reaction. The comparative ability of 10 selected iron binding ligands with varied propensity for the redox potential modification of Fe(III)/Fe(II) redox couple to restore/unlock the pH locked redox reaction is shown using potentiometric titrations. The spectrophotometric speciation analysis of Fe(III) Tiron complexation with pH was carried out to explain the differing ability of EDTA and Tiron to unlock the reaction under different pH Conditions. The experiment illustrates how environmental, biological redox reactions avoid severe laboratory conditions to occur and can be explored in the design of novel redox systems for natural attenuation of environmental toxins to their non- or lesser-toxic forms. The experiment also demonstrates prudent laboratory practice for safe waste disposal.

}, keywords = {Analytical Chemistry, Aqueous Solution Chemistry, Coordination Compounds, Oxidation/Reduction, pH, Physical Chemistry, Potentiometry, Second-Year Undergraduate, Thermodynamics, Titration/Volumetric Analysis, Upper-Division Undergraduate}, issn = {0021-9584}, doi = {10.1021/acs.jchemed.5b00499}, author = {Rizvi, Masood Ahmad and Dangat, Yuvraj B. and Shams, Tahir and Khan, Khaliquz Zaman} } @article { ISI:000380296000007, title = {Controlled synthesis of end-functionalized mannose-6-phosphate glycopolypeptides for lysosome targeting}, journal = {ACS Macro Letters}, volume = {5}, number = {7}, year = {2016}, month = {JUL}, pages = {809-813}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The ubiquitous expression of the mannose-6-phosphate receptor on the majority of human cells makes it a valid target in the quest to deliver therapeutics selectively to the lysosome. In this work end-functionalized polyvalent mannose-6-phosphate glycopolypeptides (M6P-GPs) with high molecular weights (up to 22 kDa) have been synthesized via NCA polymerization. These synthetic M6P-GPs were found to display minimal toxicity to cells in vitro and show exceptional selectivity for trafficking into lysosomes in various cell lines. Comparison of the cellular uptake behavior of M6P-GP and the corresponding mannose-GP polymer reveals that incorporation of the phosphate moiety at the 6-position of mannose completely alters its trafficking behavior and becomes exclusively lysosome specific. We also demonstrate that trafficking of M6P-GPs in mammalian cells is likely associated with the CI-MPR receptor pathway.

}, issn = {2161-1653}, doi = {10.1021/acsmacrolett.6b00297}, author = {Das, Soumen and Parekh, Nimisha and Mondal, Basudeb and Sen Gupta, Sayam} } @article {45827, title = {Coordination polymers of Fe(III) and Al(III) ions with TCA ligand: distinctive fluorescence, CO2 uptake, redox-activity and oxygen evolution reaction}, journal = {Dalton Transactions}, volume = {45}, year = {2016}, month = {FEB}, pages = {6901-6908}, type = {Article}, abstract = {

Fe and Al belong to different groups in the periodic table, one from the p-block and the other from the d-block. In spite of their different groups, they have the similarity of exhibiting a stable 3+ oxidation state. Here we have prepared Fe(III) and Al(III) based coordination polymers in the form of metal-organic gels with the 4,4{\textquoteright}, 4 {\textquoteleft}{\textquoteright}-tricarboxyltriphenylamine (TCA) ligand, namely Fe-TCA and Al-TCA, and evaluated some important physicochemical properties. Specifically, the electrical conductivity, redox-activity, porosity, and electrocatalytic activity (oxygen evolution reaction) of the Fe-TCA system were noted to be remarkably higher than those of the Al-TCA system. As for the photophysical properties, almost complete quenching of the fluorescence originating from TCA was observed in case of the Fe-TCA system, whereas for the Al-TCA system a significant retention of fluorescence with red-shifted emission was observed. Quantum mechanical calculations based on density functional theory (DFT) were performed to unravel the origin of such discriminative behaviour of these coordination polymer systems.

}, issn = {1477-9226}, doi = {10.1039/c6dt00009f}, author = {Dhara, Barun and Sappati, Subrahmanyam and Singh, Santosh K. and Kurungot, Sreekumar and Ghosh, Prasenjit and Ballav, Nirmalya} } @article { ISI:000375631300006, title = {Correlating Nitrile IR frequencies to local electrostatics quantifies noncovalent interactions of peptides and proteins}, journal = {Journal of Physical Chemistry B}, volume = {120}, number = {17}, year = {2016}, month = {MAY}, pages = {4034-4046}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Noncovalent interactions, in particular the hydrogen bonds and nonspecific long-range electrostatic interactions are fundamental to biomolecular functions. A molecular understanding of the local electrostatic environment, consistently for both specific (hydrogen-bonding) and nonspecific electrostatic (local polarity) interactions, is essential for a detailed understanding of these processes. Vibrational Stark Effect (VSE) has proven to be an extremely useful method to measure the local electric field using infrared spectroscopy of carbonyl and nitrile based probes. The nitrile chemical group would be an ideal choice because of its absorption in an infrared spectral window transparent to biomolecules, ease of site-specific incorporation into proteins, and common occurrence as a substituent in various drug molecules. However, the inability of VSE to describe the dependence of IR frequency on electric field for hydrogen-bonded nitriles to date has severely limited nitrile{\textquoteright}s utility to probe the noncovalent interactions. In this work, using infrared spectroscopy and atomistic molecular dynamics simulations, we have reported for the first time a linear correlation between nitrile frequencies and electric fields in a wide range of hydrogen-bonding environments that may bridge the existing gap between VSE and H-bonding interactions. We have demonstrated the robustness of this field-frequency correlation for both aromatic nitriles and sulfur-based nitriles in a wide range of molecules of varying size and compactness, including small molecules in complex solvation environments, an amino acid, disordered peptides, and structured proteins. This correlation, when coupled to VSE, can be used to quantify noncovalent interactions, specific or nonspecific, in a consistent manner.

}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.6b02732}, author = {Deb, Pranab and Haldar, Tapas and Kashid, Somnath M. and Banerjee, Subhrashis and Chakrabarty, Suman and Bagchi, Sayan} } @article {45645, title = {Counteranion driven homochiral assembly of a cationic C-3-symmetric gelator through ion-pair assisted hydrogen bond}, journal = {Journal of the American Chemical Society}, volume = {138}, year = {2016}, month = {SEP }, pages = {11113-11116}, type = {Article}, abstract = {

The helical handedness in achiral self-assemblies is mostly complex due to spontaneous symmetry breaking or kinetically controlled random assembly formation. Here an attempt has been made to address this issue through chiral anion exchange. A new class of cationic achiral C-3-symmetric gelator devoid of any conventional gelation assisting functional units is found to form both right-and left-handed helical structures. A chiral counteranion exchange-assisted approach is successfully introduced to control the chirality sign and thereby to obtain preferred homochiral assemblies. Formation of anion-assisted chiral assembly was confirmed by circular dichroism (CD) spectroscopy, microscopic images, and crystal structure. The X-ray crystal structure reveals the construction of helical assemblies with opposite handedness for (+)- and (-)-chiral anion reformed gelators. The appropriate counteranion driven ion-pair-assisted hydrogen-bonding interactions are found responsible for the helical bias control in this C-3-symmetric gelator.

}, issn = {0002-7863}, doi = {10.1021/jacs.6b06312}, author = {Maity, Arunava and Gangopadhyay, Monalisa and Basu, Arghya and Aute, Sunil and Babu, Sukumaran Santhosh and Das, Amitava} } @article { 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 { ISI:000366864700006, title = {Cu-catalyzed sequential C-N bond formations: expeditious synthesis of tetracyclic indoloindol-3-ones}, journal = {Organic Chemistry Frontiers}, volume = {3}, number = {1}, year = {2016}, month = {NOV}, pages = {43-46}, publisher = {CHINESE CHEMICAL SOC}, address = {PO BOX 1-18, NANKANG, TAIPEI 115, TAIWAN}, abstract = {

The tetracyclic indoloindol-3-one core has been forged from easily accessible 2,2{\textquoteright}-bis-bromochalcones employing a reaction cascade comprising Cu-catalyzed SNAr with azide; nitrene C-H insertion and intramolecular Ullmann reaction with all three C-N bond formations in one-go.

}, issn = {2052-4129}, doi = {10.1039/c5qo00248f}, author = {Kulkarni, Anand M. and Srinivas, Kolluru and Deshpande, Mukund V. and Ramana, Chepuri V.} } @article {43622, title = {Cutaneous exposure to clinically-relevant pigeon pea (Cajanus cajan) proteins promote T(H)2-dependent sensitization and IgE-mediated anaphylaxis in Balb/c mice}, journal = {Journal of Immunotoxicology}, volume = {13}, year = {2016}, month = {JAN}, pages = {827-841}, abstract = {Epicutaneous (EC) sensitization to food allergens may occur when the skin has been lightly damaged. The study here tested whether cutaneous exposure to pigeon pea protein(s) may cause allergic sensitization. BALB/c mice were either orally gavaged or epicutaneously sensitized by repeated application of pigeon pea crude protein extract (CPE) on undamaged areas of skin without any adjuvant; afterwards, both groups were orally challenged with the pigeon pea CPE. Anaphylactic symptoms along with measures of body temperature, MCPT-1, TSLP, pigeon pea-specific IgE and IgG(1), myeloperoxidase (MPO) activity, T(H)2 cytokines, T(H)2 transcription factors (TFs) and filaggrin expression were determined. Mast cell staining, eosinophil levels and histopathological analysis of the skin and intestines were also performed. In the epicutaneously-sensitized mice, elevated levels of specific IgE and IgG(1), as well as of MCPT-1, TSLP, T(H)2 cytokines and TFs, higher anaphylactic scores and histological changes in the skin and intestine were indicative of sensitization ability via both routes in the pigeon pea CPE-treated hosts. Elevated levels of mast cells were observed in both the skin and intestine; increased levels of eosinophils and MPO activity were noted only in the skin. Decreased levels of filaggrin in skin may have played a key role in the skin barrier dysfunction, increasing the chances of sensitization. Therefore, the experimental data support the hypothesis that in addition to oral exposure, skin exposure to food allergens can promote T(H)2-dependent sensitization, IgE-mediated anaphylaxis and intestinal changes after oral challenge. Based on this, an avoidance of cutaneous exposures to allergens might prevent development of food anaphylaxis.}, doi = {10.1080/1547691X.2016.1205159}, author = {Gupta, Rinkesh Kumar and Kumar, Sandeep and Gupta, Kriti and Sharma, Akanksha and Roy, Ruchi and Verma, Alok Kumar and Chaudhari, Bhushan P. and Das, Mukul and Ansari, Irfan Ahmad and Dwivedi, Premendra D.} } @article {43405, title = {Cysteine-specific fluorescent switch for monitoring oxidative stress and quantification of aminoacylase-1 in blood serum}, journal = {Analytical Chemistry}, volume = {88}, year = {2016}, month = {DEC}, pages = {12161-12168}, doi = {10.1021/acs.analchem.6b03066}, author = {Anila, H. A. and Ali, Firoj and Kushwaha, Shilpi and Taye, Nandaraj and Chattopadhyay, Samit and Das, Amitava} } @article {45849, title = {Data of in vitro synthesized dsRNAs on growth and development of helicoverpa armigera}, journal = {Data in Brief}, volume = {7}, year = {2016}, month = {JUN}, pages = {1602-1605}, type = {Article}, abstract = {The data presented in this article is related to the research article "RNAi of selected candidate genes interrupts growth and development of Helicoverpa armigera" (Chikate et al., 2016) [1]. RNA interference (RNAi) is emerging as a potent insect pest control strategy over current methods and their resistance by pest. In this study we tested 15 different in vitro synthesized dsRNAs for gene silencing in Helicoverpa armigera. These dsRNAs were specific against H. armigera enzymes/proteins such as proteases like trypsins (HaTry2, 3, 4 and 6), chymotrypsin (HaChy4) and cysteine proteases such as cathepsin (HaCATHL); glutathione S-transferases (HaGST1a, 6 and 8); esterases (HaAce4, HaJHE); catalase (HaCAT); super-oxide-dismutase (HaCu/ZnSOD); fatty acid binding protein (HaFabp) and chitin deacetylase (HaCda5b). These dsRNAs were fed to second instar larvae at an optimized dose (60 μg/day) for 3 days separately. Effects of dsRNA feeding were observed in terms of larval mass gain, percentage mortality and phenotypic abnormalities in later developmental stages of H. armigera. These findings might provide potential new candidates for designing sequence-specific dsRNA as pesticide in crop protection. }, doi = {10.1016/j.dib.2016.04.026}, author = {Chikate, Y. R. and Dawkar, V. V. and Barbole, R. S. and Tilak, P. V. and Gupta, V. S. and Giri, A. P.} } @article {45850, title = {Data on changes in the fatty acid composition during fruit development and ripening of three mango cultivars (Alphonso, Pairi and Kent) varying in lactone content}, journal = {Data in Brief}, volume = {9}, year = {2016}, month = {DEC}, pages = {480-491}, type = {Article}, abstract = {Data in this article presents fatty acid composition of three mango cultivars; Alphonso, Pairi and Kent through fruit development and ripening. Change in the ω-6 and ω-3 fatty acids level during mango fruit development and ripening is depicted. Also, data on aroma volatile {\textquoteleft}lactones{\textquoteright} composition from pulp and skin tissues of these cultivars at their ripe stage, respectively is provided. Statistical data is also shown, which correlates modulation in lactone content with that of fatty acid composition and content during fruit development and ripening in all the three mango cultivars.}, doi = {10.1016/j.dib.2016.09.018}, author = {Deshpande, A. B. and Chidley, H. G. and Oak, P. S. and Pujari, K. H. and Giri, A. P. and Gupta, V. S.} } @article {43623, title = {Design and fabrication of mechanically strong nano-matrices of linseed oil based polyesteramide blends}, journal = {Medchemcomm}, volume = {7}, year = {2016}, month = {SEP}, pages = {2299-2308}, abstract = {New nanomaterials of bio-origin with improved mechanical properties are in demand for biomedical application. Therefore, we propose to design and fabricate bioactive nano-matrices with good mechanical strength using polyesteramides derived from linseed oil. Polyesteramide was synthesized from linseed oil and blended with poly(L-lactide) and human serum albumin to enhance the mechanical strength, biodegradation, biocompatibility and hydrophilicity. The various blend solutions with and without drugs (triclosan and metronidazole) were electrospun into non-woven nano-matrices. The morphology of the nano-matrices represented smooth and fine nanofibers with the diameter ranging from 300 to 400 nm. Drug binding efficiency, cytotoxicity, hydrophilicity, thermal and mechanical studies indicated their suitability as biomaterials. To demonstrate their utility, the drug release kinetics and antibacterial properties were evaluated. The metronidazole loaded nano-matrices showed drug release up to 8 h, beyond which no release was observed until 72 h. Antibacterial studies were done using the drugs triclosan and metronidazole. The antibacterial activity of the drug loaded nanofiber mats increased with the increase in drug concentration. The uniqueness of the developed nano-matrices of polyesteramide blends is that their mechanical strength is 3-fold higher than that of the nano-matrices of poly(L-lactide), which is one of the essential features of these nano-matrices to be used as a biomaterial for biomedical applications.}, doi = {10.1039/c6md00380j}, author = {Killi, Naresh and Dhakare, Runali Arjun and Singam, Amarnath and Lokanadham, Metta and Chitikeshi, Harshavardhan and Gundloori, Rathna Venkata Naga} } @article {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:000368264800002, title = {Detection of clostridium tetani in human clinical samples using tetX specific primers targeting the neurotoxin}, journal = {Journal of Infection and Public Health}, volume = {9}, number = {1}, year = {2016}, month = {JUL}, pages = {105-109}, publisher = {ELSEVIER SCIENCE LONDON}, address = {84 THEOBALDS RD, LONDON WC1X 8RR, ENGLAND}, abstract = {

Tetanus resulting from ear injury remains an important health problem, particularly in the developing world. We report the successful detection of Clostridium tetani using tetX specific primers targeting the Cl. tetani neurotoxin. The sample was obtained from an ear discharge of a case of otogenic tetanus in a 2-year-old male child. Based on the culture results of the ear discharge, Gram staining and virulence testing by genotyping, a diagnosis of tetanus was confirmed. This is the first report from India on the successful detection of Cl. tetani in a human clinical sample using tetX specific primers targeting the Cl. tetani neurotoxin. (C) 2015 King Saud Bin Abdulaziz University for Health Sciences. Published by Elsevier Limited. All rights reserved.

}, keywords = {Cl. tetani, Neurotoxin, Otogenic tetanus, Trismus}, issn = {1876-0341}, doi = {10.1016/j.jiph.2015.06.014}, author = {Ganesh, Madhu and Sheikh, Nasira K. and Shah, Pooja and Mehetre, Gajanan T. and Dharne, Mahesh S. and Nagoba, Basavraj S.} } @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 {43613, title = {Diethylamine-catalyzed environmentally benign synthesis of 1-oxo-hexahydroxanthenes and bis-coumarins at ambient temperature}, journal = {Research on Chemical Intermediates}, volume = {42}, year = {2016}, month = {JUL}, pages = {6313-6325}, abstract = {An extremely simple, economical and environmentally benign protocol has been described for one-pot synthesis of 1-oxo-hexahydroxanthenes by pseudo three-component condensation between salicylaldehydes and dimedone, cyclohexane-1,3dione or 5-methyl cyclohexane-1,3-dione using diethylamine as the catalyst. Based upon the mechanism of the reaction, the protocol has been extended towards the synthesis of tetraketones and bis-coumarins.}, doi = {10.1007/s11164-016-2464-4}, author = {Kupwade, Ravindra V. and Pandit, Kapil S. and Desai, Uday V. and Kulkarni, Makarand A. and Wadgaonkar, Prakash P.} } @article { ISI:000377891600014, title = {Direct synthesis of dimethyl carbonate from CO2 and methanol over CeO2 catalysts of different morphologies}, journal = {Journal of Chemical Sciences}, volume = {128}, number = {6}, year = {2016}, month = {JUN}, pages = {957-965}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

The direct synthesis of dimethyl carbonate (DMC) from carbon dioxide (CO2) and methanol is an attractive approach towards conversion of the greenhouse gas - CO2 into value-added chemicals and fuels. Ceria (CeO2) catalyzes this reaction. But the conversion efficiency of CeO2 is enhanced when the byproduct water in the reaction medium is separated by employing trapping agents like 2-cyanopyridine (2-CP). In this work, the influence of morphology of CeO2 on the direct synthesis of DMC in presence of 2-CP is reported. CeO2 catalysts of cube, rod, spindle and irregular morphology (Ce - C, Ce - R, Ce - S and Ce - N, respectively) were prepared, characterized and studied as catalysts in the said reaction conducted in a batch mode. Among all, Ce - S shows superior catalytic performance with nearly 100 mol\% of DMC selectivity. Catalytic activity correlates with the concentration of acid and base sites of medium strength as well as defect sites. Ce - S has an optimum number of these active sites and thereby shows superior catalytic performance.

}, keywords = {acid-base catalysis, ceria, CO2 utilization, Dimethyl carbonate, influence of morphology}, issn = {0974-3626}, doi = {10.1007/s12039-016-1094-0}, author = {Unnikrishnan, P. and Darbha, Srinivas} } @conference {45852, title = {Diversity of arsenic resistant bacteria from Lonar lake: A meteorite impact alkaline crater lake in Indi}, booktitle = {Arsenic Research and Global Sustainability - Proceedings of the 6th International Congress on Arsenic in the Environment, AS 2016}, year = {2016}, month = {JUN}, publisher = {CRC Press/Balkema}, organization = {CRC Press/Balkema}, address = {Stockholm; Sweden}, abstract = {Lonar lake known for its meteorite impact origin and highly alkaline environment harbors a plethora of diverse organisms. Arsenic transforming microbe diversity from Lonar remains unexplored. We attempted to explore the microorganisms causing arsenic transformation using culture-dependent and independent approaches. Amongst the 67 microbes isolated, Bacillus infantis L4-18 and Bacillus solimangrovi L4-7b could oxidise 15 mM arsenite in 8 days. None of the cultures could reduce arsenate. All the other isolates resisted 2 mM arsenic. In the culture independent approach, microbial diversity revealed Bacteroides (41.9\%), followed by Proteobacteria (17.9\%), Firmicutes (14.2\%), Actinobacteria (13.9\%), occurring in the Lonar sediment sample. This study provides foundation to study microbial arsenic biogeochemical cycle along with other biochemical cycles and microbial function in Lonar lake eco system.}, url = {https://www.scopus.com/record/display.uri?eid=2-s2.0-85017026744\&origin=inward\&txGid=63266bcb17f730d2678898ea486dffa6}, author = {Bagade, A. V. and Paul, D. and Rikame, T. and Giri, A. P. and Dhotre, D. and Pawar, S. and Kodam, K.} } @article { ISI:000377374500003, title = {Does the position of the electron-donating nitrogen atom in the ring system influence the efficiency of a dye-sensitized solar cell? A computational study}, journal = {Journal of Molecular Modeling}, volume = {22}, number = {6}, year = {2016}, month = {JUN}, pages = {121}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

We have reported a number of new metal-free organic dyes (2-6) that have cyclic asymmetric benzotripyrrole derivatives as donor groups with peripheral nitrogen atoms in the ring, fluorine and thiophene groups as pi-spacers, and a cyanoacrylic acid acceptor group. Density functional theory (DFT) and time-dependent DFT (TD-DFT) calculations were employed to examine the influence of the position of the donor nitrogen atom and pi-conjugation on solar cell performance. The calculated electron-injection driving force (Delta G(inject)), electron-regeneration driving force (Delta G(regen)), light-harvesting efficiency (LHE), dipole moment (mu(normal)), and number of electrons transferred (Delta q) indicate that dyes 3, 4, and 6 have significantly higher efficiencies than reference dye 1, which exhibits high efficiency. We also extended our comparison to some other reported dyes, 7-9, which have a donor nitrogen atom in the middle of the ring system. The computed results suggest that dye 6 possesses a higher incident photon to current conversion efficiency (IPCE) than reported dyes 7-9. Thus, the use of donor groups with peripheral nitrogen atoms appears to lead to more efficient dyes than those in which the nitrogen atom is present in the middle of the donor ring system.

}, keywords = {DFT, Dye-sensitized solar cells, Organic dyes, Position effect, TD-DFT}, issn = {1610-2940}, doi = {10.1007/s00894-016-2976-2}, author = {Biswas, Abul Kalam and Barik, Sunirmal and Das, Amitava and Ganguly, Bishwajit} } @article { ISI:000374321000015, title = {Dr. V. Jagannathan (1921-2015) Obituary}, journal = {National Academy Science Letters-India}, volume = {39}, number = {2}, year = {2016}, month = {APR}, pages = {135-136}, publisher = {NATL ACAD SCIENCES INDIA}, address = {5 LAJPATRAI RD, ALLAHABAD 211002, INDIA}, issn = {0250-541X}, doi = {10.1007/s40009-016-0456-y}, author = {Rao, Mala and Deshpande, Vasanti and Ingle, Prabhakar} } @article {45854, title = {Draft genome sequence of arthrobacter enclensis NCIM 5488T for secondary metabolism}, journal = {Genome Announcements}, volume = {4}, year = {2016}, month = {JUN}, pages = {e00497-16}, type = {Article}, abstract = {Here, we report the draft genome sequence of Arthrobacter enclensis NCIM 5488T, an actinobacterium isolated from a marine sediment sample from Chorao Island, Goa, India. This draft genome sequence consists of 4,226,231 bp with a G+C content of 67.08\%, 3,888 protein-coding genes, 50 tRNAs, and 10 rRNAs. Analysis of the genome using bioinformatics tools such as antiSMASH and NaPDoS showed the presence of many unique natural product biosynthetic gene clusters.}, doi = {10.1128/genomeA.00497-16}, author = {Neurgaonkar, P. S. and Dharne, M. S. and Dastager, S. G.} } @article {43389, title = {Dynamic, reversible oxidative addition of highly polar bonds to a transition metal}, journal = {Journal of the American Chemical Society}, volume = {138}, year = {2016}, month = {DEC}, pages = {16140-16147}, abstract = {The combination of Pt complexes and indium trihalides leads to compounds that form equilibria in solution between their In X oxidative addition (OA) products (Pt indyl complexes) and their metal-only Lewis pair (MOLP) isomers (LnPt -> InX3). The position of the equilibria can be altered reversibly by changing the solvent, while the equilibria can be reversibly and irreversibly driven toward the MOLP products by addition of further donor ligands. The results mark the first observation of an equilibrium between MOLP and OA isomers, as well as the most polar bond ever observed to undergo reversible oxidative addition to a metal complex. In addition, we present the first structural characterization of MOLP and oxidative addition isomers of the same compound. The relative energies of the MOLP and OA isomers were calculated by DFT methods, and the possibility of solvent-mediated isomerization is discussed.}, doi = {10.1021/jacs.6b10609}, author = {Bertermann, Ruediger and Boehnke, Julian and Braunschweig, Holger and Dewhurst, Rian D. and Kupfer, Thomas and Muessig, Jonas H. and Pentecost, Leanne and Radacki, Krzysztof and Sen, Sakya S. and Vargas, Alfredo} } @article { ISI:000382818400001, title = {Editorial: actinobacteria in special and extreme habitats: diversity, function roles, and environmental adaptations}, journal = {Frontiers in Microbiology}, volume = {7}, year = {2016}, month = {SEP}, pages = {Article Number: 1415}, publisher = {FRONTIERS MEDIA SA}, address = {PO BOX 110, EPFL INNOVATION PARK, BUILDING I, LAUSANNE, 1015, SWITZERLAND}, keywords = {actinobacteria, activities, diversity, environmental adaptation, omics technologies, special and extreme environments}, issn = {1664-302X}, doi = {10.3389/fmicb.2016.01415}, author = {Qin, Sheng and Li, Wen-Jun and Dastager, Syed Gulam and Hozzein, Wael N.} } @article {43039, title = {Effect of polyvinylpyrrolidone at methane hydrate-liquid water interface. application in flow assurance and natural gas hydrate exploitation}, journal = {Fuel}, volume = {186}, year = {2016}, month = {DEC}, pages = {613-622}, doi = {10.1016/j.fuel.2016.09.004}, author = {Choudhary, Nilesh and Das, Subhadip and Roy, Sudip and Kumar, Rajnish} } @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 {43638, title = {Electrocatalytic water oxidation by a molecular cobalt complex through a high valent cobalt oxo intermediate}, journal = {Chemical Communications}, volume = {52}, year = {2016}, month = {AUG}, pages = {11787-11790}, abstract = {Biuret-modified tetraamidomacrocyclic cobalt complex [Co-III-bTAML]- is shown to catalyze electrochemical water oxidation at basic pH leading to the formation of O-2. Electrochemical and spectroscopic studies indicate a high valent cobalt oxo intermediate isoelectronic to Co-V(O) as the active oxidant. The kinetic isotope effect of 8.63 indicates an atom proton transfer mechanism.}, doi = {10.1039/c6cc05773j}, author = {Das, Debasree and Pattanayak, Santanu and Singh, Kundan K. and Garai, Bikash and Sen Gupta, Sayam} } @article { ISI:000371103000013, title = {Electron detachment and subsequent structural changes of water clusters}, journal = {Journal of Physical Chemistry A}, volume = {120}, number = {7}, year = {2016}, month = {FEB}, pages = {1065-1073}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A cost-effective equation of motion coupled cluster method, EOMIP-CCSD(2), is used to investigate vertical and adiabatic ionization potential as well as ionization-induced structural changes of water clusters and compared with CCSD(T), CASPT2, and MP2 methods. The moderate N-5 scaling and low storage requirement yields EOMIP-CCSD (2) calculation feasible even for reasonably large molecules and clusters with accuracy comparable to CCSD(T) method at much cheaper computational cost. Our calculations shed light on the authenticity of EOMIP-CCSD(2) results and establish a reliable method to study of ionization energy of molecular clusters. We have further investigated the performance of several classes of DFT functionals for ionization energies of water clusters to benchmark the results and to get a reliable functionals for the same.

}, issn = {1089-5639}, doi = {10.1021/acs.jpca.5b09389}, author = {Das, Susanta and Sengupta, Turbasu and Dutta, Achintya Kumar and Pal, Sourav} } @article {43586, title = {Epoxide ring-opening reaction by using sol-gel-synthesized palladium supported on a strontium hydroxyl fluoride catalyst}, journal = {Comptes Rendus Chimie}, volume = {19}, year = {2016}, month = {OCT}, pages = {1237-1246}, abstract = {Palladium supported on a strontium hydroxyl fluoride catalyst was synthesized by a one-pot fluorolytic sol-gel method. The prepared catalyst was characterized by various physicochemical techniques. The sol-gel method has led to the formation of a high surface area (57 m(2)g(-1)), mesoporous (pore diameter = 13.0 nm) catalyst with uniform dispersion of Pd nanoparticles of size similar to 7 nm on the surface of strontium hydroxyl fluoride. The catalyst was used for epoxide alcoholysis, and 100\% conversion was obtained with 96\% selectivity for beta-alkoxy alcohols under mild conditions: The catalyst could be recycled for up to three catalytic cycles without any appreciable decrease in conversion and selectivity, indicating the stability of the catalyst under the reaction conditions. Further, the mechanism of alcoholysis was proposed on the basis of the physicochemical characteristics of the catalyst and on the basis of the products formed during the catalytic reaction. (C) 2016 Academie des sciences. Published by Elsevier Masson SAS. All rights reserved.}, doi = {10.1016/j.crci.2016.07.008}, author = {Acham, Vaibhav R. and Dongare, Mohan K. and Kemnitz, Erhard and Umbarkar, Shubhangi B.} } @article {43401, title = {Experimental investigation to elucidate why tetrahydrofuran rapidly promotes methane hydrate formation kinetics: applicable to energy storage}, journal = {Journal of Physical Chemistry C}, volume = {120}, year = {2016}, month = {DEC}, pages = {29062-29068}, abstract = {Methane storage as SNG (solidified natural gas) in the form of clathrate hydrates is an emerging, economically feasible and environmentally benign technology for large scale storage. Mixed tetrahydrofuran (THF)-methane (CH4) hydrates offer a paradigm shift to milder storage conditions and faster hydrate formation kinetics, providing a promising scenario to scale up the SNG technology. In this work, we synthesize mixed THF-CH4 hydrates in a high pressure microdifferential scanning calorimeter (HP mu-DSC) to elucidate the two-step hydrate formation mechanism of mixed THF-CH4 hydrate identifying the synergism between THF and CH4. Heat flow change during hydrate formation and dissociation of mixed THF-CH4 hydrates formed in the presence of 5.56 mol \% THF (stoichiometric composition) were monitored. The two step-mechanism of mixed THF-CH4 hydrate formation was further confirmed by the pressure-temperature profile and visual observations with a sample volume scale -up of about 350 times that of mu-DSC experiments.}, doi = {10.1021/acs.jpcc.6b11995}, author = {Kumar, Asheesh and Daraboina, Nagu and Kumar, Rajnish and Linga, Praveen} } @article { ISI:000379484200023, title = {Exploration of magnetically separable Ag@AgxNiy core/graded-alloy-shell nanostructures}, journal = {Chemical Communications}, volume = {52}, number = {56}, year = {2016}, month = {JUN}, pages = {8737-8740}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

We report novel bimetallic Ag@AgxNiy core@graded-alloy-shell nanoparticles (CGAS NPs), i.e. single Ag core NPs shelled by an AgxNiy graded alloy and stabilized by the CTAB surfactant employing a novel synthesis method. These Ag@AgxNiy CGAS NPs demonstrated superior catalytic performance in the synthesis of biologically active 3-amino alkylated indoles under green conditions.

}, issn = {1359-7345}, doi = {10.1039/c6cc04087j}, author = {Kumar, Mukesh and Soni, Kiran and Satpati, Biswarup and Gopinath, Chinnakonda S. and Deka, Sasanka} } @article { ISI:000377515200041, title = {Exploration of the diastereoselectivity in an unusual Grignard reaction and its application towards the synthesis of styryl lactones 7-epi-(+)-goniodiol and 8-epi-(-)-goniodiol}, journal = {RSC Advances}, volume = {6}, number = {56}, year = {2016}, month = {MAY}, pages = {50721-50725}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

An unusual diastereoselective Grignard reaction is explored, where the Grignard reagents are derived from 1,n-dihaloalkanes. A steric bias due to the presence of a quaternary centre adjacent to the acetonide ester at the benzylic position is responsible for the formation of an intramolecularly reduced product in almost quantitative yield. This steric hindrance is responsible for the diastereoselectivity observed with a variety of aromatic as well as aliphatic esters. The unusual Grignard reaction furnishes long chain secondary alcohols possessing a terminal olefin, which are synthetically important intermediates. As an application of this method, the diastereoselective synthesis of styryl lactones viz. 7-epi-(+)-goniodiol (29) and 8-epi(-)-goniodiol (30) has been achieved.

}, issn = {2046-2069}, doi = {10.1039/c6ra03192g}, author = {Chavan, Subhash P. and Khatod, Harshali S. and Das, Tamal and Vanka, Kumar} } @article { ISI:000366590300006, title = {Exploring activity differences between the hydroformylation catalysts: Insights from theory}, journal = {Journal of Organometallic Chemistry}, volume = {801}, year = {2016}, month = {JAN}, pages = {30-41}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Hydroformylation catalysis is the most important homogeneous catalysis process of the current day. The current computational investigation aims to understand the nature of the hydroformylation process when monodentate ligands are employed. The complete catalytic cycle for different monodentate ligands bound to the rhodium center has been studied with full quantum chemical calculations, with density functional theory (DFT). To the best of our knowledge, this is the first systematic investigation of the relative free energy surfaces for mono-coordinate monodentate and bi-coordinated monodentate ligands in hydroformylation catalysis. The results indicate that the barriers are lower for the mono-coordinate monodentate species in comparison to the bi-coordinate monodentate, for all the ligand cases studied, indicating higher activity for the mono-coordinate monodentate active species. (C) 2015 Elsevier B.V. All rights reserved.

}, keywords = {Density functional theory (DFT) calculations, Hydroformylation, Monodentate, Rhodium}, issn = {0022-328X}, doi = {10.1016/j.jorganchem.2015.10.015}, author = {Dangat, Yuvraj B. and Rizvi, Masood Ahmad and Pandey, Pippalad and Vanka, Kumar} } @article { ISI:000373630800015, title = {Exploring the reducing role of boron: added insights from theory}, journal = {Dalton Transactions}, volume = {45}, number = {14}, year = {2016}, month = {NOV}, pages = {5978-5988}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Carbon-carbon coupling in CO molecules is a challenging proposition, and very few main group complexes have been shown to effect this process. A recently reported triply bonded diboryne system (1) is notable for coupling four CO molecules to produce a (bis) boralactone species. The current full quantum chemical computational investigation with density functional theory (DFT) provides important insights into the nature of the CO coupling process by triply bonded diboryne systems. The complete reaction pathway leading to the formation of the (bis) boralactone has been determined. Factors that make this system so successful in coupling CO groups have been elucidated, and pertinent issues, such as why the coupling process stops after four CO additions, have been explored. Also, importantly, insights have been gained through the natural bond orbital (NBO) analysis into how the back-donation from diboryne activates CO.

}, issn = {1477-9226}, doi = {10.1039/c5dt03799a}, author = {Dangat, Yuvraj B. and Vanka, Kumar} } @article { ISI:000368829000007, title = {Expression of proteins involved in digestion and detoxification are regulated in helicoverpa armigera to cope up with chlorpyrifos insecticide}, journal = {Insect Science}, volume = {23}, number = {1}, year = {2016}, month = {FEB}, pages = {68-77}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Helicoverpa armigera is a key pest in many vital crops, which is mainly controlled by chemical strategies. To manage this pest is becoming challenging due to its ability and evolution of resistance against insecticides. Further, its subsequent spread on nonhost plant is remarkable in recent times. Hence, decoding resistance mechanism against phytochemicals and synthetic insecticides is a major challenge. The present work describes that the digestion, defense and immunity related enzymes are associated with chlorpyrifos resistance in H. armigera. Proteomic analysis of H. armigera gut tissue upon feeding on chlorpyrifos containing diet (CH) and artificial diet (AD) using nano-liquid chromatography-mass spectrometry identified upregulated 23-proteins in CH fed larvae. Database searches combined with gene ontology analysis revealed that the identified gut proteins engrossed in digestion, proteins crucial for immunity, adaptive responses to stress, and detoxification. Biochemical and quantitative real-time polymerase chain reaction analysis of candidate proteins indicated that insects were struggling to get nutrients and energy in presence of CH, while at the same time endeavoring to metabolize chlorpyrifos. Moreover, we proposed a potential processing pathway of chlorpyrifos in H. armigera gut by examining the metabolites using gas chromatography-mass spectrometry. H. armigera exhibit a range of intriguing behavioral, morphological adaptations and resistance to insecticides by regulating expression of proteins involved in digestion and detoxification mechanisms to cope up with chlorpyrifos. In these contexts, as gut is a rich repository of biological information; profound analysis of gut tissues can give clues of detoxification and resistance mechanism in insects.

}, keywords = {chlorpyrifos, Helicoverpa armigera, insecticide resistance, proteomics, real-time PCR}, issn = {1672-9609}, doi = {10.1111/1744-7917.12177}, author = {Dawkar, Vishal V. and Chikate, Yojana R. and More, Tushar H. and Gupta, Vidya S. and Giri, Ashok P.} } @article {43610, title = {F and CF3 substituted solution processable oligo para-phenylenevinylene for ambipolar and hole-transporting organic field effect transistors}, journal = {Chemical Physics Letters}, volume = {657}, year = {2016}, month = {JUL}, pages = {26-32}, abstract = {We have synthesized benzotrifluoromethyl group substituted para-phenylenevinylene oligomer (denoted as PI) and a cooligomer (denoted as PII) by Gilch polymerization route. The ambipolar field-effect transistor (FET) material PI shows hole and electron mobility 1 x 10 (4) cm(2) V (1) s (1) and 2 x 10 (5) cm(2) V (1) s (1) respectively. PII shows only hole mobility as high as 0.05 cm(2) V (1) s (1) as p-type material. This work highlights the progress of hole-transporting as well as ambipolar material for para-phenylenevinylene derivatives. The results are enlightened on the basis of presence of electronegative substituents and structural modification of the oligomer backbone. (C) 2016 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.cplett.2016.05.042}, author = {Chini, Mrinmoy Kumar and Das, Chayanika and Chatterjee, Shyambo} } @article { ISI:000378295200030, title = {Facile access to a Ge(II) dication stabilized by isocyanides}, journal = {Chemical Communications}, volume = {52}, number = {50}, year = {2016}, month = {MAY}, pages = {7890-7892}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Herein, we introduce isocyanide as a ligand in main group chemistry and describe the facile isolation of a Ge(II) dication. The reaction of 2,6-dimethylphenylisocyanide with GeCl2 leads to the formation of a Ge(II) dication with two [GeCl3](-) molecules as counter anions. The dicationic Ge(II) center is bound to four isocyanide ligands and also holds a lone pair of electrons. DFT calculations reveal that the dication is stabilized only by sigma-donation from the four isocyanide ligands. Natural population analysis gives a charge of +0.74 on the Ge(II) center, indicating that the positive charge is shared by the isocyanide substituents.

}, issn = {1359-7345}, doi = {10.1039/c6cc03789e}, author = {Swamy, V. S. V. S. N. and Yadav, Sandeep and Pal, Shiv and Das, Tamal and Vanka, Kumar and Sen, Sakya S.} } @article { ISI:000377604100021, title = {Facile green synthesis of BCN nanosheets as high-performance electrode material for electrochemical energy storage}, journal = {Chemistry-A European Journal}, volume = {22}, number = {21}, year = {2016}, month = {MAY}, pages = {7134-7140}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {

Two-dimensional hexagonal boron carbon nitride (BCN) nanosheets (NSs) were synthesized by new approach in which a mixture of glucose and an adduct of boric acid (H3BO3) and urea (NH2CONH2) is heated at 900 degrees C. The method is green, scalable and gives a high yield of BCN NSs with average size of about 1 mm and thickness of about 13 nm. Structural characterization of the as-synthesized material was carried out by several techniques, and its energy-storage properties were evaluated electrochemically. The material showed excellent capacitive behaviour with a specific capacitance as high as 244 F g(-1) at a current density of 1 A g(-1). The material retains up to 96\% of its initial capacity after 3000 cycles at a current density of 5 A g(-1).

}, keywords = {boron, Doping, Electrochemistry, Nanoparticles, nitrides}, issn = {0947-6539}, doi = {10.1002/chem.201505225}, author = {Karbhal, Indrapal and Devarapalli, Rami Reddy and Debgupta, Joyashish and Pillai, Vijayamohanan K. and Ajayan, Pulickel M. and Shelke, Manjusha V.} } @article { ISI:000374595500025, title = {Fingering instability in the flow of a power-law fluid on a rotating disc}, journal = {Physics of Fluids}, volume = {28}, number = {1}, year = {2016}, month = {JAN}, pages = {Article Number: 013102}, publisher = {AMER INST PHYSICS}, address = {1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA}, abstract = {

A computational study of the flow of a non-Newtonian power law fluid on a spinning disc is considered here. The main goal of this work is to examine the effect of non-Newtonian nature of the fluid on the flow development and associated contact line instability. The governing mass and momentum balance equations are simplified using the lubrication theory. The resulting model equation is a fourth order non-linear PDE which describes the spatial and temporal evolutions of film thickness. The movement of the contact line is modeled using a constant angle slip model. To solve this moving boundary problem, a numerical method is developed using a Galerkin/finite element method based approach. The numerical results show that the spreading rate of the fluid strongly depends on power law exponent n. It increases with the increase in the shear thinning character of the fluid (n \< 1) and decreases with the increase in shear thickening nature of the fluid (n \> 1). It is also observed that the capillary ridge becomes sharper with the value of n. In order to examine the stability of these ridges, a linear stability theory is also developed for these power law fluids. The dispersion relationship depicting the growth rate for a given wave number has been reported and compared for different power-law fluids. It is found that the growth rate of the instability decreases as the fluid becomes more shear thinning in nature, whereas it increases for more shear thickening fluids. (C) 2016 AIP Publishing LLC.

}, issn = {1070-6631}, doi = {10.1063/1.4939665}, author = {Arora, Akash and Doshi, Pankaj} } @article { ISI:000379040200026, title = {Fingering instability of a suspension film spreading on a spinning disk}, journal = {Physics of Fluids}, volume = {28}, number = {6}, year = {2016}, month = {JUN}, pages = {063303}, publisher = {AMER INST PHYSICS}, type = {Article}, address = {1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA}, abstract = {

The spreading of a thin film of suspension on a spinning disk and the accompanying contact line instability is studied through flow visualization experiments. The critical radius for the onset of instability shows an increase with increase in the particle fraction (phi(p)) before decreasing slightly at the highest value of phi(p) studied, while the instability wavelength (lambda) exhibits a non-monotonic dependence. The value of lambda is close to that for a partially wetting liquid at lower phi(p), it decreases with increasing phi(p) to a minimum before increasing again at largest phi(p). The non-monotonic trends observed for lambda are discussed in light of the linear stability analysis of thin film equations derived for suspensions by Cook et al. [{\textquoteright}{\textquoteright}Linear stability of particle-laden thin films,{\textquoteright}{\textquoteright} Eur. Phys. J.: Spec. Top. 166, 77 (2009)] and Balmforth et al. [{\textquoteright}{\textquoteright}Surface tension driven fingering of a viscoplastic film,{\textquoteright}{\textquoteright} J. Non Newtonian Fluid Mech. 142, 143 (2007)]. Published by AIP Publishing.

}, issn = {1070-6631}, doi = {10.1063/1.4953174}, author = {Kulkarni, Mayuresh and Sahoo, Subhadarshinee and Doshi, Pankaj and Orpe, Ashish V.} } @article {43008, title = {Flexible microsupercapacitors using silk and cotton substrates}, journal = {ACS Applied Materials \& Interfaces}, volume = {8}, year = {2016}, month = {NOV}, pages = {29504-29510}, abstract = {

Flexible microsupercapacitors (MSCs) are needed to power ultrasmall wearable electronic devices. Silk cocoons comprise microfibers of silk, which is an attractive natural resource to fabricate MSCs. These fibers are insulators; hence, they must be converted to conducting surfaces. Polyphenols from green tea have been used as a protective layer that also acted as a reducing agent for silver ions. The reduction of silver ions resulted in the formation of silver nanoparticles that subsequently reduced gold ions to gold. The gold film imparts conductivity to the silk fiber without affecting the mechanical strength of the silk fiber. The mechanical strength of uncoated silk fiber and gold coated silk fiber were found to be 5.2 and 5 GPa, respectively. A pseudocapacitive polymer, poly(3,4-ethylenedioxythiophene), was used as the active material to fabricate MSCs. The MSCs showed an impressive gravimetric capacitance of 500 F/g and areal capacitance of 62 mF/cm(2). The power and energy densities were calculated to be 2458 W/kg and 44 Wh/kg, respectively. The device was coiled on a cylinder, and the performance of the device was found to be same as that of the uncoiled device. To demonstrate that the approach is not specific to silk, we also coated gold on cotton fibers using the protocol used to coat gold on silk. Coiled and uncoiled supercapacitors were fabricated using PEDOT coated cotton fibers. The gravimetric capacitance was found to be 250 F/g with energy and power densities of 5.5 Wh/kg and 1118 W/kg, respectively. We have also demonstrated that the devices can be connected in parallel and series to improve the performance of the miniaturized devices.

}, doi = {10.1021/acsami.6b10431}, author = {Das, Chayanika and Krishnamoorthy, Kothandam} } @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 {43409, title = {Fungal cell membrane-promising drug target for antifungal therapy}, journal = {Journal of Applied Microbiology}, volume = {121}, year = {2016}, month = {DEC}, pages = {1498-1510}, abstract = {Increase in invasive fungal infections over the past few years especially in immunocompromised patients prompted the search for new antifungal agents with improved efficacy. Current antifungal armoury includes very few effective drugs like Amphotericin B; new generation azoles, including voriconazole and posaconazole; echinocandins like caspofungin and micafungin to name a few. Azole class of antifungals which target the fungal cell membrane are the first choice of treatment for many years because of their effectiveness. As the fungal cell membrane is predominantly made up of sterols, glycerophospholipids and sphingolipids, the role of lipids in pathogenesis and target identification for improved therapeutics were largely pursued by researchers during the last few years. Present review focuses on cell membrane as an antifungal target with emphasis on membrane biogenesis, structure and function of cell membrane, cell membrane inhibitors, screening assays, recent advances and future prospects.}, doi = {10.1111/jam.13301}, author = {Sant, D. G. and Tupe, Santosh Genba and Ramana, Chepuri V. and Deshpande, Mukund V.} } @article { ISI:000378741200010, title = {Fusarium oxysporum mediates systems metabolic reprogramming of chickpea roots as revealed by a combination of proteomics and metabolomics}, journal = {Plant Biotechnology Journal}, volume = {14}, number = {7}, year = {2016}, month = {JUL}, pages = {1589-1603}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Molecular changes elicited by plants in response to fungal attack and how this affects plant-pathogen interaction, including susceptibility or resistance, remain elusive. We studied the dynamics in root metabolism during compatible and incompatible interactions between chickpea and Fusarium oxysporum f. sp. ciceri (Foc), using quantitative label-free proteomics and NMR-based metabolomics. Results demonstrated differential expression of proteins and metabolites upon Foc inoculations in the resistant plants compared with the susceptible ones. Additionally, expression analysis of candidate genes supported the proteomic and metabolic variations in the chickpea roots upon Foc inoculation. In particular, we found that the resistant plants revealed significant increase in the carbon and nitrogen metabolism; generation of reactive oxygen species (ROS), lignification and phytoalexins. The levels of some of the pathogenesis-related proteins were significantly higher upon Foc inoculation in the resistant plant. Interestingly, results also exhibited the crucial role of altered Yang cycle, which contributed in different methylation reactions and unfolded protein response in the chickpea roots against Foc. Overall, the observed modulations in the metabolic flux as outcome of several orchestrated molecular events are determinant of plant{\textquoteright}s role in chickpea-Foc interactions.

}, keywords = {Chickpea, fusarium oxysporum, Metabolomics, NMR, plant-pathogen interaction, proteomics}, issn = {1467-7644}, doi = {10.1111/pbi.12522}, author = {Kumar, Yashwant and Zhang, Limin and Panigrahi, Priyabrata and Dholakia, Bhushan B. and Dewangan, Veena and Chavan, Sachin G. and Kunjir, Shrikant M. and Wu, Xiangyu and Li, Ning and Rajmohanan, Pattuparambil R. and Kadoo, Narendra Y. and Giri, Ashok P. and Tang, Huiru and Gupta, Vidya S.} } @article {43605, title = {Gadolinium(III)-based porous luminescent metal-organic frameworks for bimodal imaging}, journal = {Chempluschem}, volume = {81}, year = {2016}, month = {AUG}, pages = {728-732}, abstract = {Gd-III-based metal-organic frameworks, Gd-pDBI-1 and Gd-pDBI-2, have been synthesized using the linker pDBI (pDBI=1,4-bis(5-carboxy-1H-benzimidazole-2yl)benzene). They exhibited structural diversity due to subtle change in reaction constituents. Owing to the judicious choice of the fluorescent linker, the materials could be used for bimodal imaging (fluorescent and magnetic resonance) and displayed a modest T1 relaxivity value.}, doi = {10.1002/cplu.201600233}, author = {Kundu, Tanay and Mitra, Shouvik and Diaz Diaz, David and Banerjee, Rahul} } @article { ISI:000371021000006, title = {GAME9 regulates the biosynthesis of steroidal alkaloids and upstream isoprenoids in the plant mevalonate pathway}, journal = {Nature Communications}, volume = {7}, year = {2016}, month = {FEB}, pages = {Article Number: 10654}, publisher = {NATURE PUBLISHING GROUP}, address = {MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND}, abstract = {

Steroidal glycoalkaloids (SGAs) are cholesterol-derived molecules produced by solanaceous species. They contribute to pathogen defence but are toxic to humans and considered as anti-nutritional compounds. Here we show that GLYCOALKALOID METABOLISM 9 (GAME9), an APETALA2/Ethylene Response Factor, related to regulators of alkaloid production in tobacco and Catharanthus roseus, controls SGA biosynthesis. GAME9 knockdown and overexpression in tomato and potato alters expression of SGAs and upstream mevalonate pathway genes including the cholesterol biosynthesis gene STEROL SIDE CHAIN REDUCTASE 2 (SSR2). Levels of SGAs, C24-alkylsterols and the upstream mevalonate and cholesterol pathways intermediates are modified in these plants. Delta(7)-STEROL-C5(6)-DESATURASE (C5-SD) in the hitherto unresolved cholesterol pathway is a direct target of GAME9. Transactivation and promoter-binding assays show that GAME9 exerts its activity either directly or cooperatively with the SlMYC2 transcription factor as in the case of the C5-SD gene promoter. Our findings provide insight into the regulation of SGA biosynthesis and means for manipulating these metabolites in crops.

}, issn = {2041-1723}, doi = {10.1038/ncomms10654}, author = {Cardenas, Pablo D. and Sonawane, Prashant D. and Pollier, Jacob and Vanden Bossche, Robin and Dewangan, Veena and Weithorn, Efrat and Tal, Lior and Meir, Sagit and Rogachev, Ilana and Malitsky, Sergey and Giri, Ashok P. and Goossens, Alain and Burdman, Saul and Aharoni, Asaph} } @article { ISI: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 { ISI:000371105800005, title = {Glucose-derived porous carbon-coated silicon nanowires as efficient electrodes for aqueous micro-supercapacitors}, journal = {ACS Applied Materials \& Interfaces}, volume = {8}, number = {7}, year = {2016}, month = {FEB}, pages = {4298-4302}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

In this study, we report on carbon coating of vertically aligned silicon nanowire (SiNWs) arrays via a simple hydrothermal process using glucose as carbon precursor. Using this process, a thin carbon layer is uniformly deposited on the SiNWs. Under optimized conditions, the coated SiNWs electrode showed better electrochemical energy storage capacity as well as exceptional stability in aqueous system as compared to uncoated SiNWs. The as-measured capacitance reached 25.64 mF/cm(2) with a good stability up to 25000 charging/discharging cycles in 1 M Na2SO4 aqueous solution.

}, keywords = {carbon coating, glucose precursor, hydrothermal, microsupercapacitors, silicon nanowires}, issn = {1944-8244}, doi = {10.1021/acsami.5b11240}, author = {Devarapalli, Rami Reddy and Szunerits, Sabine and Coffinier, Yannick and Shelke, Manjusha V. and Boukherroub, Rabah} } @article {45639, title = {Glycopolypeptide-grafted bioactive polyionic complex vesicles (PICsomes) and their specific polyvalent interactions}, journal = {ACS Omega}, volume = {1}, year = {2016}, month = {OCT}, pages = {600-612}, type = {Article}, abstract = {

Glycopolypeptide-based self-assembled nano-/microstructures with surface-tethered carbohydrates are excellent mimics of glycoproteins on the cell surface. To expand the broad repertoire of glycopolypeptide-based supramolecular soft structures such as polymersomes formed via self-assembly of amphiphilic polymers, we have developed a new class of polyionic complex vesicles (PICsomes) with glycopolypeptides grafted on the external surface. Oppositely charged hydrophilic block copolymers of glycopolypeptide(20)-b-poly-L-lysine(100) and PEG(2k)-b-poly-L-glutamate(100) [PEG = poly(ethylene glycol)] were synthesized using a combination of ring-opening polymerization of N-carboxyanhydrides and {\textquoteleft}{\textquoteleft}click{\textquoteright}{\textquoteright} chemistry. Under physiological conditions, the catiomer and aniomer self-assemble to form glycopolypeptide-conjugated PICsomes (GP-PICsomes) of micrometer dimensions. Electron and atomic force microscopy suggests a hollow morphology of the PICsomes, with inner aqueous pool (core) and peripheral PIC (shell) regions. Owing to their relatively large (similar to micrometers) size, the hollowness of the supramolecular structure could be established via fluorescence microscopy of single GP-PICsomes, both in solution and under dry conditions, using spatially distributed fluorescent probes. Furthermore, the dynamics of single PICsomes in solution could be imaged in real time, which also allowed us to test for multivalent interactions between PICsomes mediated by a carbohydrate (mannose)-binding protein (lectin, Con-A). The immediate association of several GP-PICsomes in the presence of Con-A and their eventual aggregation to form large insoluble aggregate clusters reveal that upon self-assembly carbohydrate moieties protrude on the outer surface which retains their biochemical activity. Challenge experiments with excess mannose reveal fast deaggregation of GP-PICsomes as opposed to that in the presence of excess galactose, which further establishes the specificity of lectin-mediated polyvalent interactions of the GP-PICsomes.

}, issn = {2470-1343}, doi = {10.1021/acsomega.6b00142}, author = {Pandey, Bhawana and Mahato, Jaladhar and Cotta, Karishma Berta and Das, Soumen and Sharma, Dharmendar Kumar and Sen Gupta, Sayam and Chowdhury, Arindam} } @article {42855, title = {Green leaf to inorganic leaf: a case study of ZnO}, journal = {Journal of Nanoscienceand Nanotechnology}, volume = {16}, year = {2016}, month = {SEP}, pages = {9203-9208}, abstract = {

Can we use green leaves, available freely in our gardens, as a template for making inorganic leaf, while retaining the nanospace available within the leaf architecture. The answer is {\textquoteright}yes{\textquoteright}, and it is demonstrated with inorganic leaf made up of ZnO, by intercalating Zn2+ ions into the porous channels of the champa (Plumeria, Magnolia champaca) tree leaves. TEM studies reveal a variety of macro-micro-nanospace available in the inorganic leaf ZnO (IL-ZnO), and suggest the possibility of exploiting the same to produce natural nano-architecture for various applications. A speciality of the present work is the maximum suppression of defects in photoluminescence of IL-ZnO leaf, compared to the commercial ZnO, which is exploited for light harvesting through chemical conversion. Benzene to phenol conversion was studied in UV light and IL-ZnO show significant conversion and yield demonstrating C-H activation at ambient temperature.

}, doi = {10.1166/jnn.2016.12912}, author = {Sathu, Naveen K. and Devaraji, Perumal and Gopinath, Chinnakonda S.} } @article { ISI: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:000371177100032, title = {Green synthesis of stable Cu(0) nanoparticles onto reduced graphene oxide nanosheets: a reusable catalyst for the synthesis of symmetrical biaryls from arylboronic acids under base-free conditions (vol 5, pg 1251, 2015)}, journal = {Catalysis Science \& Technology}, volume = {6}, number = {4}, year = {2016}, month = {FEB}, pages = {1234-1234}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Correction for {\textquoteleft}Green synthesis of stable Cu(0) nanoparticles onto reduced graphene oxide nanosheets: a reusable catalyst for the synthesis of symmetrical biaryls from arylboronic acids under base-free conditions{\textquoteright} by Najrul Hussain et al., Catal. Sci. Technol., 2015, 5, 1251{\textendash}1260.

}, issn = {2044-4753}, doi = {10.1039/c6cy90017h}, author = {Hussain, Najrul and Gogoi, Pranjal and Azhagan, Muniraj Vedi Kuyil and Shelke, Manjusha V. and Das, Manash R.} } @article {42940, title = {GSH Induced controlled release of levofloxacin from a purpose-built prodrug: luminescence response for probing the drug release in escherichia coli and staphylococcus aureus}, journal = {Bioconjugate Chemistry}, volume = {27}, year = {2016}, month = {SEP}, pages = {2062-2070}, abstract = {

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

}, doi = {10.1021/acs.bioconjchem.6b00324}, author = {Pal, Suman and Ramu, Vadde and Taye, Nandaraj and Mogare, Devraj G. and Yeware, Amar M. and Sarkar, Dhiman and Reddy, D. Srinivasa and Chattopadhyay, Samit and Das, Amitava} } @article { ISI:000378715600028, title = {High hydroxide conductivity in a chemically stable crystalline metal-organic framework containing a water-hydroxide supramolecular chain}, journal = {Chemical Communications}, volume = {52}, number = {54}, year = {2016}, month = {JUN}, pages = {8459-8462}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A chemically stable cationic MOF encapsulating an in situ formed water-hydroxide supramolecular anionic chain is realized for high hydroxide (OH-) ion conductivity in the solid-state (Type A). High OH- ion conductivity and low activation energy of the MOF demonstrate the advantage of the in situ incorporation of OH- ions to achieve efficient OH- ion conduction in the solid-state.

}, issn = {1359-7345}, doi = {10.1039/c6cc04436k}, author = {Nagarkar, Sanjog S. and Anothumakkool, Bihag and Desai, Aamod V. and Shirolkar, Mandar M. and Kurungot, Sreekumar and Ghosh, Sujit K.} } @article {43573, title = {High-performance organic-inorganic hybrid piezo-nanogenerator via interface enhancedpolarization effects for self-powered electronic systems}, journal = {Advanced Materials Interfaces}, volume = {3}, year = {2016}, month = {OCT}, pages = {Article Number: 1600492}, abstract = {An electrospun fi ber based wearable organic-inorganic hybrid piezonanogenerator compose of suitably engineered P(VDF-TrFE) and BaTiO3 nanostructures is reported. In the case of the device with an electrospun mat of piezoelectric beta-phase P(VDF-TrFE) and BaTiO3 nanoparticulates fi lled in the interfi ber open spaces, a power density of 16 mu W cm(-2) is realized at an applied impact of 0.02 MPa (which essentially corresponds to the thumb pressure). A similar device, with BaTiO 3 additionally embedded in the P(VDF-TrFE) fi bers during their formation, renders a signifi cantly higher peak power density of 28 mu W cm(-2) with instantaneous power density of approximate to 8.8 mu W cm(-2) at the same touch pressure. This performance is attributed to the high density of interfaces in such a device and the corresponding enhancement in the dielectric response. It is demonstrated that the power generated from such a hybrid device structure can be used for small scale applications such as charging a mobile phone.}, doi = {10.1002/admi.201600492}, author = {Dhakras, Dipti and Ogale, Satishchandra} } @article { ISI:000377203300035, title = {Hydrogen adsorption in ZIF-7: A DFT and ab-initio molecular dynamics study}, journal = {Chemical Physics Letters}, volume = {651}, year = {2016}, month = {MAY}, pages = {178-182}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Primary H-2 adsorption sites in a zeolitic imidazolate framework, ZIF-7, are identified using ab-initio density functional theory (DFT) based molecular dynamics annealing simulations. The simulations suggest several low energy adsorption sites. The effect of light transition metal decoration on hydrogen storage properties was studied. Our ab-intio DFT calculations illustrate that decorating the ZIF with Sc increases both the number of H-2 molecules, as well as the H-2 binding energy. The binding energy (similar to 25 kJ/mol per H-2) at 8H(2) loading in the pore, suggests that Sc-ZIFs can be potential candidates for hydrogen storage. (C) 2016 Elsevier B.V. All rights reserved.

}, issn = {0009-2614}, doi = {10.1016/j.cplett.2016.03.030}, author = {Dixit, Mudit and Major, Dan Thomas and Pal, Sourav} } @article {45652, title = {Hydrogen-bonded organic frameworks (HOFs): a new class of porous crystalline proton-conducting materials}, journal = {Angewandte Chemie-International Edition}, volume = {55}, year = {2016}, month = {AUG }, pages = {10667-10671}, type = {Article}, abstract = {

Two porous hydrogen-bonded organic frameworks (HOFs) based on arene sulfonates and guanidinium ions are reported. As a result of the presence of ionic backbones appended with protonic source, the compounds exhibit ultra-high proton conduction values (sigma) 0.75x 10(-2)Scm(-1) and 1.8x10(-2)Scm(-1) under humidified conditions. Also, they have very low activation energy values and the highest proton conductivity at ambient conditions (low humidity and at moderate temperature) among porous crystalline materials, such as metal-organic frameworks (MOFs) and covalent organic frameworks (COFs). These values are not only comparable to the conventionally used proton exchange membranes, such as Nafion used in fuel cell technologies, but is also the highest value reported in organic-based porous architectures. Notably, this report inaugurates the usage of crystalline hydrogen-bonded porous organic frameworks as solid-state proton conducting materials.

}, keywords = {guanidinium, hydrogen-bonded organic frameworks, porous crystalline frameworks, proton conduction, sulfonates}, issn = {1433-7851}, doi = {10.1002/anie.201604534}, author = {Karmakar, Avishek and Illathvalappil, Rajith and Anothumakkool, Bihag and Sen, Arunabha and Samanta, Partha and Desai, Aamod V. and Kurungot, Sreekumar and Ghosh, Sujit K.} } @article {43432, title = {Improved all-polymer solar cell performance of n-type naphthalene diimide-bithiophene P(NDI2OD-T2) copolymer by incorporation of perylene diimide as coacceptor}, journal = {Macromolecules}, volume = {49}, year = {2016}, month = {NOV}, pages = {8113-8125}, abstract = {

Naphthalene diimide-bithiophene P(NDI2OD-T2) is a well-known donor-acceptor polymer, previously explored as n-type material in all-polymer solar cells (all-PSCs) and organic field effect transistor (OFETs) applications. The optical, bulk, electrochemical, and semiconducting properties of P(NDI2OD-T2) polymer were tuned via random incorporation of perylene diimide (PDI) as coacceptor with naphthalene diimide (NDI). Three random copolymers containing 2,2{\textquoteright}-bithiophene as donor unit and varying compositions of naphthalene diimide (NDI) and perylene diimide (xPDI, x = 15, 30, and 50 mol \% of PDI) as two mixed acceptors were synthesized by Stille coupling copolymerization. Proton NMR spectra recorded in CD Cl-3 showed that the pi-pi stacking induced aggregation among the naphthalene units could be successfully disrupted by the random incorporation of bulky PDI units. The newly synthesized random copolymers were investigated as electron acceptors in BHJ all-PSCs, and their performance was compared with P(NDI2OD-T2) as reference polymer. An enhanced PCE of 5.03\% was observed for BHJ all-PSCs (all-polymer solar cells) fabricated using NDI-Th-PDI30 as acceptor and PTB7-Th as donor, while the reference polymer blend with the same donor polymer exhibited PCE of 2.97\% efficiency under similar conditions. SCLC bulk carrier mobility measured for blend devices showed improved charge mobility compared to reference polymer, with PTB7-Th:NDI-Th-PDI30 blend device exhibiting the high hole and electron mobility of 4.2 x 10(-4) and 1.5 x 10(-4) cm(2)/(V s), respectively. This work demonstrates the importance of molecular design via random copolymer strategy to control the bulk crystallinity, compatibility, blend morphology, and solar cell performance of n-type copolymers.

}, doi = {10.1021/acs.macromol.6b01566}, author = {Sharma, Sandeep and Kolhe, Nagesh B. and Gupta, Vinay and Bharti, Vishal and Sharma, Abhishek and Datt, Ram and Chand, Suresh and Asha, S. K.} } @article {42908, title = {In situ fabrication of highly crystalline CdS decorated Bi2S3 nanowires (nano-heterostructure) for visible light photocatalyst application}, journal = {RSC Advances}, volume = {6}, year = {2016}, month = {FEB}, pages = {23508-23517}, abstract = {

In situ synthesis of the orthorhombic Bi2S3 nanowires decorated with hexagonal CdS nanoparticles (nano-heterostructure) has been demonstrated by a facile solvothermal method. The tiny 5-7 nm CdS spherical nanoparticles are decorated on the surfaces of 30-40 nm Bi2S3 nanowires, successfully. Structural, morphological and optical studies clearly show the existence of CdS on the nanowires. A possible sequential deposition growth mechanism is proposed on the basis of experimental results to reveal the formation of the nano heterostructure. The heterostructures have been used as a photocatalyst for hydrogen production as well as degradation of methylene blue under solar light. The maximum hydrogen evolution i.e. 4560 and 2340 mu mol h(-1) 0.5 g was obtained from H2S splitting and glycerol degradation for Bi2S3 NWs decorated with CdS nanoparticles (nano-heterostructure) which is higher than that of the Bi2S3 NWs (3000 and 1170 mu mol h(-1) 0.5 g, respectively). The enhanced photocatalytical hydrogen evolution efficiency of the heterostructures is mainly attributed to its nanostructure. In the nano heterostructure, the CdS nanoparticles control the charge carrier transition, recombination, and separation, while the Bi2S3 nanowire serves as a support for the CdS nanoparticles. The photogenerated electron{\textquoteright}s migration is faster than the holes from the inside of a CdS nanoparticle to its surface or to the phase interface, resulting in a relatively higher hole density inside the CdS nanoparticle leaving electron density at surface of the Bi2S3 NWs. This influences the photocatalytic activity under solar light. Such nano-heterostructures may have potential in other photocatalytic reactions.

}, author = {Panmand, Rajendra P. and Sethi, Yogesh A. and Deokar, Rajashree S. and Late, Dattatray J. and Gholap, Haribhau M. and Baeg, Jin-Ook and Kale, Bharat B.} } @article {45862, title = {Influence of kinetic and thermodynamic promoters on post-combustion carbon dioxide capture through gas hydrate crystallization}, journal = {Journal of environmental chemical engineering}, volume = {4}, year = {2016}, month = {JUN}, pages = {1955-1961}, type = {Article}, abstract = {In the present work, we report enhanced kinetics of hydrate formation in the presence of kinetic and thermodynamic promoters, SDS (sodium dodecyl sulphate) and THF (tetrahydrofuran) respectively. Hydrate formation was carried out in a fixed bed reactor for post-combustion capture of CO2. Silica sand was used as a fixed bed medium to capture CO2 from a CO2/N2/SO2 (17.7 mol\% CO2, 1.05 mol\% SO2 and balance N2) gas mixture by hydrate crystallisation. Experiments were performed at a constant temperature (273.65 K) and at different pressures (9.5 and 2.45 MPa) in batch mode. It was found that the addition of SDS enhances the rate and gas uptake of gas hydrate formation. A higher gas consumption was achieved by using 5.56 mol\% THF compared to 1.0 and 3.0 mol\% THF. }, doi = {10.1016/j.jece.2016.03.021}, author = {Kumar, A. and Bhattacharjee, G. and Barmecha, V. and Diwan, S. and Kushwaha, O. S.} } @article { ISI:000371852000031, title = {Interplaying intrinsic and extrinsic proton conductivities in covalent organic frameworks}, journal = {Chemistry of Materials}, volume = {28}, number = {5}, year = {2016}, month = {MAR}, pages = {1489-1494}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A sulfonic-acid-based covalent organic framework (TpPa-SO3H) has been synthesized that exhibits intrinsic proton conductivity under anhydrous conditions. The sulfonic acid groups are aligned on the two-dimensional (2D) layers at periodic intervals and promote the proton hopping inside the hexagonal one-dimensional channel. The intrinsic proton conductivity of TpPa-SO3H was measured as 1.7 X 10(-5) S cm(-1) at 120 degrees C under anhydrous conditions. To enhance the proton conductivity, we have synthesized a hybrid COF TpPa(SO3H-Py) by a ligand-based solid-solution approach that contains sulfonic acid as the acidic site, as well as pyridine as the basic site, in order to immobilize acidic proton carrier molecules. Impregnation of phytic acid molecules inside the framework increases the anhydrous proton conductivity up to 5 x 10(-4) S cm(-1) at 120 degrees C. Such an approach highlights the advantage and first-time use of hybrid COF for interplaying intrinsic to extrinsic proton conductivity.

}, issn = {0897-4756}, doi = {10.1021/acs.chemmater.5b04947}, author = {Chandra, Suman and Kundu, Tanay and Dey, Kaushik and Addicoat, Matthew A. and Heine, Thomas and Banerjee, Rahul} } @article { ISI:000379456500042, title = {Intramolecular dehydrogenative coupling of 2,3-diaryl acrylic compounds: access to substituted phenanthrenes}, journal = {Journal of Organic Chemistry}, volume = {81}, number = {13}, year = {2016}, month = {JUL}, pages = {5663-5669}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A simple, facile, and environmentally benign intramolecular dehydrogenative coupling of various 1,2-diarylethylenes for the synthesis of phenanthrenes in excellent yield has been described. This new methodology uses ceric ammonium nitrate (CAN) as a promoter at room temperature and has been extended to intermolecular synthesis of biaryl compounds. The electron transfer from methoxyarene to cerium leads to cationic radical formation, which further proceeds to intramolecular coupling. Preliminary mechanistic investigation by EPR spectroscopy and density functional theory calculation suggested a similar view.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.6b00507}, author = {Gupta, Vijay and Rao, V. U. Bhaskara and Das, Tamal and Vanka, Kumar and Singh, Ravi P.} } @article {43032, title = {Investigation of microbial diversity in geothermal hot springs in Unkeshwar, India, based on 16S rRNA amplicon metagenome sequencing}, journal = {Genome Announcements}, volume = {4}, year = {2016}, month = {FEB}, abstract = {

Microbial diversity in geothermal waters of the Unkeshwar hot springs in Maharashtra, India, was studied using 16S rRNA amplicon metagenomic sequencing. Taxonomic analysis revealed the presence of Bacteroidetes , Proteobacteria , Cyanobacteria , Actinobacteria , Archeae , and OD1 phyla. Metabolic function prediction analysis indicated a battery of biological information systems indicating rich and novel microbial diversity, with potential biotechnological applications in this niche.

}, doi = {10.1128/genomeA.01766-15}, author = {Mehetre, Gajanan T. and Paranjpe, Aditi and Dastager, Syed Gulam and Dharne, Mahesh S.} } @article { ISI:000379438200023, title = {Ionic liquids catalyzed lignin liquefaction: mechanistic studies using TPO-MS, FT-IR, RAMAN and 1D, 2D-HSQC/NOSEY NMR}, journal = {Green Chemistry}, volume = {18}, number = {14}, year = {2016}, month = {APR}, pages = {4098-4108}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Valorization of a profusely available alternate resource, biomass and in particular its 3-D intricate component lignin into low molecular weight aromatic products are used as platform chemicals and fuel additives, and developing a low temperature catalytic process is imperative in preserving atom efficiency. Ionic liquids, due to their unique properties, offer an advantage to develop such methods under milder conditions. Herein, we show use of -SO3H functionalized imidazolium based various recyclable Bronsted acidic ionic liquids (BAILs) in catalytic quantity under ambient pressure at 120 degrees C for depolymerization of lignin (60 000 g mol(-1)) into THF soluble products with high efficiency (78\% yield, 95\% +/- 5\% mass balance). The decoding of this efficiency by 1D and 2D (HSQC/NOSEY) NMR, FT-IR and RAMAN studies exemplify that the -OH group(s) interact with the electron deficient BAIL cation. The mechanistic insights unraveled in this study open a plethora of opportunities to design catalysts for developing efficient processes.

}, issn = {1463-9262}, doi = {10.1039/c6gc00771f}, author = {Singh, Sandip K. and Dhepe, Paresh Laxmikant} } @article { ISI:000381328300009, title = {Isolation and characterization of new lignin streams derived from extractive-ammonia (EA) pretreatment}, journal = {Green Chemistry}, volume = {18}, number = {15}, year = {2016}, month = {AUG}, pages = {4205-4215}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

One of the key challenges facing lignin conversion to fuels and chemicals is related to the level of carbohydrate and ash impurities found in extracted lignin. Structural modifications of lignin may also occur as a result of biomass pretreatment and harsh lignin extraction protocols. Extractive-Ammonia (EA) is a new pretreatment technology that uses liquid ammonia to cleave lignin-carbohydrate complexes, decrystallize cellulose, solubilize lignin, and selectively extract Lignin from lignocellulosic biomass, enabling better utilization of both lignin and carbohydrate components in a biorefinery. The EA-based biorefinery produces two different lignin-rich streams, with different properties, that could potentially be upgraded to fuels and chemicals using green processes. In this work, a water/ethanol-based fractionation method was developed to enrich the ammonia-soluble extractives, resulting in a major product stream containing 92\% lignin. Detailed characterization of the various streams resulting from EA treatment, including compositional analysis, structural characterization by nuclear magnetic resonance (NMR) spectrometry, elemental analysis, molecular weight analysis, and thermo-gravimetric analysis provides a broad evaluation of the EA derived lignin product stream structures and properties, assessing their potential for commercial applications. In summary, EA-derived lignins preserve much of lignin{\textquoteright}s functionality, including the sensitive (3-aryl ether units. Nitrogen incorporation was observed in the lignin-rich streams, notably due to the presence of hydroxycinnamoyl amides formed during ammonia pretreatment.

}, issn = {1463-9262}, doi = {10.1039/c6gc00298f}, author = {Sousa, Leonardo da Costa and Foston, Marcus and Bokade, Vijay V. and Azarpira, Ali and Lu, Fachuang and Ragauskas, Arthur J. and Ralph, John and Dale, Bruce E. and Balan, Venkatesh} } @article {42932, title = {Isolation of lignin by organosolv process from different varieties of rice husk: Understanding their physical and chemical properties}, journal = {Bioresource Technology}, volume = {221}, year = {2016}, month = {SEP}, pages = {310{\textendash}317}, doi = {10.1016/j.biortech.2016.09.042}, author = {Singh, Sandip K. and Dhepe, Paresh Laxmikant} } @article {43575, title = {Laser shielding and thermal ablation characteristics of resorcinol formaldehyde/boronnitride composites for thermal protection systems}, journal = {Industrial \& Engineering Chemistry Research}, volume = {55}, year = {2016}, month = {OCT}, pages = {10645-10655}, abstract = {Resorcinol formaldehyde (RF) composites were modified by incorporating different weight ratios of hexagonal boron nitride (h-BN) through a novel in situ polymerization technique. Temperature modulated SAXS was used to understand the changes in polymer network due to h-BN addition. The ablation performance of RF BN composites was evaluated by pulsed laser and oxyacetylene torch tests. Linear ablation resistance under oxyacetylene conditions improved by 18\%. Laser ablation resistance increased by 44\%. The reasons for improved ablation resistance for RF BN composites were studied using XRD, FTIR, and XPS methods which indicated that h-BN undergoes phase transformation at higher temperatures and also displays typical floral assimilation leading to significant energy consumption. This results in improved ablation resistance. These findings could lead to fabrication of RF BN based thermal protection systems (TPS) having better protection capabilities.}, doi = {10.1021/acs.iecr.6b01443}, author = {Daniel, Alex and Badhe, Yutika and Srikanth, Ivaturi and Gokhale, Suresh and Balasubramanian, Kandasubramanian} } @article {42913, title = {Low turn-on field and high field emission current density from Ag/TiO 2 nanocomposite}, journal = {Chemical Physics Letters}, volume = {657}, year = {2016}, month = {JUL}, pages = {167{\textendash}171}, abstract = {

High current density of 1.24 mA/cm2 was drawn at an applied field of 4.4 V/μm from Ag/TiO2 nanocomposite. Also the turn-on field has been reduced from 3.9 V/μm to 2.7 V/μm for the emission current density of 10 μA/cm2. Ag/TiO2 nanocomposite was synthesized by using UV-switchable reducing agent. TiO2 nanotube wall was decorated by Ag nanoparticles with average diameter of 17 nm. To the best of our knowledge this is the first report on the field emission studies of Ag/TiO2 nanocomposite. Simple synthesis route coupled with superior field emission properties indicate the possible use of Ag/TiO2 nanocomposite for micro/nanoelectronic devices.

}, doi = {10.1016/j.cplett.2016.06.003}, author = {Patil, Girish P. and Deore, Amol B. and Bagal, Vivekanand S. and Late, Dattatray J. and More, Mahendra A. and Chavan, Padmakar G.} } @article { ISI:000379314700006, title = {Low-overpotential electrocatalytic water splitting with noble-metal-free nanoparticles supported in a sp(3) n-rich flexible COF}, journal = {Advanced Energy Materials}, volume = {6}, number = {13}, year = {2016}, month = {JUL}, pages = {Article No. 1600110}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {

Covalent organic frameworks (COFs) are crystalline organic polymers with tunable structures. Here, a COF is prepared using building units with highly flexible tetrahedral sp(3) nitrogens. This flexibility gives rise to structural changes which generate mesopores capable of confining very small (\<2 nm sized) non-noble-metal-based nanoparticles (NPs). This nanocomposite shows exceptional activity toward the oxygen-evolution reaction from alkaline water with an overpotential of 258 mV at a current density of 10 mA cm(-2). The overpotential observed in the COF-nanoparticle system is the best in class, and is close to the current record of approximate to 200 mV for any noble-metalfree electrocatalytic water splitting system-the Fe-Co-Ni metal-oxide-film system. Also, it possesses outstanding kinetics (Tafel slope of 38.9 mV dec(-1)) for the reaction. The COF is able to stabilize such small-sized NP in the absence of any capping agent because of the COF-Ni(OH)(2) interactions arising from the N-rich backbone of the COF. Density-functional-theory modeling of the interaction between the hexagonal Ni(OH)(2) nanosheets and the COF shows that in the most favorable configuration the Ni(OH)(2) nanosheets are sandwiched between the sp(3) nitrogens of the adjacent COF layers and this can be crucial to maximizing their synergistic interactions.

}, issn = {1614-6832}, doi = {10.1002/aenm.201600110}, author = {Mullangi, Dinesh and Dhavale, Vishal M. and Shalini, Sorout and Nandi, Shyamapada and Collins, Sean and Woo, Tom and Kurungot, Sreekumar and Vaidhyanathan, Ramanathan} } @article { ISI:000374196000022, title = {Mechanically tunable curcumin incorporated polyurethane hydrogels as potential biomaterials}, journal = {Chemistry of Materials}, volume = {28}, number = {7}, year = {2016}, month = {APR}, pages = {2120-2130}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

}, issn = {0897-4756}, doi = {10.1021/acs.chemmater.5b04964}, author = {Divakaran, Anumon V. and Azad, Lal Busher and Surwase, Sachin S. and Torris, Arun A. T. and Badiger, Manohar V.} } @article {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:000374286500004, title = {Molecular cloning and characterization of O-methyltransferase from mango fruit (mangifera indica cv. alphonso)}, journal = {Molecular Biotechnology}, volume = {58}, number = {5}, year = {2016}, month = {MAY}, pages = {340-350}, publisher = {HUMANA PRESS INC}, address = {999 RIVERVIEW DRIVE SUITE 208, TOTOWA, NJ 07512 USA}, abstract = {

Flavour of ripe Alphonso mango is invariably dominated by the de novo appearance of lactones and furanones during ripening. Of these, furanones comprising furaneol (4-hydroxy-2,5-dimethyl-3(2H)-furanone) and mesifuran (2,5-dimethyl-4-methoxy-3(2H)-furanone) are of particular importance due to their sweet, fruity caramel-like flavour characters and low odour detection thresholds. We isolated a 1056 bp complete open reading frame of a cDNA encoding S-adenosyl-l-methionine-dependent O-methyltransferase from Alphonso mango. The recombinantly expressed enzyme, MiOMTS showed substrate specificity towards furaneol and protocatechuic aldehyde synthesizing mesifuran and vanillin, respectively, in an in vitro assay reaction. A semi-quantitative PCR analysis showed fruit-specific expression of MiOMTS transcripts. Quantitative real-time PCR displayed ripening-related expression pattern of MiOMTS in both pulp and skin of Alphonso mango. Also, early and significantly enhanced accumulation of its transcripts was detected in pulp and skin of ethylene-treated fruits. Ripening-related and fruit-specific expression profile of MiOMTS and substrate specificity towards furaneol is a suggestive of its involvement in the synthesis of mesifuran in Alphonso mango. Moreover, a significant trigger in the expression of MiOMTS transcripts in ethylene-treated fruits point towards the transcriptional regulation of mesifuran biosynthesis by ethylene.

}, keywords = {Ethylene, expression, Flavour, Mango, Mesifuran, Ripening}, issn = {1073-6085}, doi = {10.1007/s12033-016-9933-2}, author = {Chidley, Hemangi G. and Oak, Pranjali S. and Deshpande, Ashish B. and Pujari, Keshav H. and Giri, Ashok P. and Gupta, Vidya S.} } @article { 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 {43624, title = {Nevirapine loaded core shell gold nanoparticles by double emulsion solvent evaporation: invitro and in vivo evaluation}, journal = {Current Drug Delivery}, volume = {13}, year = {2016}, month = {JAN}, pages = {1071-1083}, abstract = {Background: HIV/AIDS is a macrophage resident infection localized in the reticuloendothelial system and remote locations of brain and bone marrow. We present core shell nanoparticles of gold(AuNPs) and nevirapine(NVP) for targeted delivery to the multiple HIV reservoirs. The aim of the study was to design core shell NVP loaded AuNPs with high drug loading and to evaluate biodistribution of the nanoparticles in possible HIV reservoirs in vivo. A specific objective was to assess the possible synergy of AuNPs with NVP on anti-HIV activity in vitro. Method: Core shell nanoparticles were prepared by double emulsion solvent evaporation method and characterized. Results: Glyceryl monostearate-nevirapine-gold nanoparticles(GMS-NVP-AuNPs) revealed high entrapment efficiency (> 70\%), high loading (similar to 40\%), particle size < 250 nm and zeta potential -35.9 +/- 1.41mv and exhibited sustained release with good stability. Surface plasmon resonance indicated shell formation while SEM coupled EDAX confirmed the presence of Au. TEM confirmed formation of spherical core shell nanoparticles. GMS-NVP-AuNPs revealed low hemolysis (< 10 \%) and serum stability upto 6 h. GMS-NVP-AuNPs exhibited rapid, high and sustained accumulation in the possible HIV reservoir organs, including the major organs of liver, spleen, lymph nodes, thymus and also remote locations of brain, ovary and bone marrow. High cell viability and enhanced uptake in PBMC{\textquoteright}s and TZM-bl cells were observed. While uptake in PBMC{\textquoteright}s proposed monocytes/macrophages enabled brain delivery. GMS-NVP-AuNPs demonstrated synergistic anti-HIV activity. Conclusion: The superior anti-HIV activity in vitro coupled with extensive localization of the nanoparticles in multiple HIV reservoirs suggests great promise of the core shell GMS-NVP-AuNPs for improved therapy of HIV.}, doi = {10.2174/1567201813666160114093005}, author = {Dalvi, Bhagyashree R. and Siddiqui, Ejaz A. and Syed, Asad S. and Velhal, Shilpa M. and Ahmad, Absar and Bandivdekar, Atmaram B. and Devarajan, Padma V.} } @article { ISI:000374351200005, title = {Next-generation ammonia pretreatment enhances cellulosic biofuel production}, journal = {Energy \& Environmental Science}, volume = {9}, number = {4}, year = {2016}, month = {FEB}, pages = {1215-1223}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A new liquid ammonia pretreatment methodology called Extractive Ammonia (EA) was developed to simultaneously convert native crystalline cellulose I-beta (CI) to a highly digestible cellulose IIII (CIII) allomorph and selectively extract up to B45\% of the lignin from lignocellulosic biomass with near-quantitative retention of all polysaccharides. EA pretreated corn stover yielded a higher fermentable sugar yield compared to the older Ammonia Fiber Expansion (AFEX) process while using 60\% lower enzyme loading. The EA process preserves extracted lignin functionalities, offering the potential to co-produce lignin-derived fuels and chemicals in the biorefinery. The single-stage EA fractionation process achieves high biofuel yields (18.2 kg ethanol per 100 kg untreated corn stover, dry weight basis), comparable to those achieved using ionic liquid pretreatments. The EA process achieves these ethanol yields at industrially-relevant conditions using low enzyme loading (7.5 mg protein per g glucan) and high solids loading (8\% glucan, w/v).

}, issn = {1754-5692}, doi = {10.1039/c5ee03051j}, author = {Sousa, Leonardo da Costa and Jin, Mingjie and Chundawat, Shishir P. S. and Bokade, Vijay V. and Tang, Xiaoyu and Azarpira, Ali and Lu, Fachuang and Avci, Utku and Humpula, James and Uppugundla, Nirmal and Gunawan, Christa and Pattathil, Sivakumar and Cheh, Albert M. and Kothari, Ninad and Kumar, Rajeev and Ralph, John and Hahn, Michael G. and Wyman, Charles E. and Singh, Seema and Simmons, Blake A. and Dale, Bruce E. and Balan, Venkatesh} } @article {43020, title = {Nitrogen doping in oxygen-deficient Ca2Fe2O5: a strategy for efficient oxygen reduction oxide catalysts}, journal = {ACS Applied Materials and Interfaces}, volume = {8}, year = {2016}, month = {NOV}, pages = {34387{\textendash}34395}, doi = {10.1021/acsami.6b11718}, author = {Jijil, Chamundi P. and Lokanathan, Moorthi and Chithiravel, Sundaresan and Nayak, Chandrani and Bhattacharyya, Dibyendu and Jha, Shambhu Nath and Babu, P. D. and Kakade, Bhalchandra A. and Devi, R. Nandini} } @article { ISI:000378303400056, title = {Nucleophilic nitration of arynes by sodium nitrite and its multicomponent reaction leading to double-functionalized arenes}, journal = {Organic Letters}, volume = {18}, number = {12}, year = {2016}, month = {JUN}, pages = {3010-3013}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

An unusual nucleophilic nitration of arynes by NaNO2 in the presence of water has been developed, and the concept was further demonstrated to accomplish a double functionalization of arynes using a multicomponent reaction protocol to synthesize pharmaceutically important (2-nitrophenyl)methanol derivatives. Such substitution ortho to -NO2 is difficult by other means. The reaction conditions are mild and avoid the use of strong acids, expensive transition metal catalysts, and additives.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.6b01384}, author = {Dhokale, Ranjeet A. and Mhaske, Santosh B.} } @article { ISI:000371479000046, title = {Observation of magnetic anomalies in one-step solvothermally synthesized nickel-cobalt ferrite nanoparticles}, journal = {Nanoscale}, volume = {8}, number = {9}, year = {2016}, month = {JAN}, pages = {5200-5213}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Magnetic anomalies corresponding to the Verwey transition and reorientation of anisotropic vacancies are observed at 151 K and 306 K, respectively, in NiCoFe2O4 nanoparticles (NPs) synthesized by a modified-solvothermal method followed by annealing. Cationic disorder and spherical shape induced non-stoichiometry suppress the Verwey transition in the as-synthesized NPs. On the other hand, reorientation of anisotropic vacancies is quite robust. XRD and electron microscopy investigations confirm a single phase spinel structure and the surface morphology of the as-synthesized NPs changes from spherical to octahedral upon annealing. Rietveld analysis reveals that the Ni2+ ions migrate from tetrahedral (A) to octahedral (B) sites upon annealing. The Mossbauer results show canted spins in both the NPs and the strength of superexchange is stronger in Co-O-Fe than Ni-O-Fe. Magnetic force images show that the as-synthesised NPs are single-domain whereas the annealed NPs are multi-domain octahedral particles. The FMR study reveals that both the NPs have a broad FMR line-width; and resonance properties are consistent with the random anisotropy model. The broad inhomogeneous FMR line-width, observation of the Verwey transition, tuning of the magnetic domain structure as well as the magnetic properties suggest that the NiCoFe2O4 ferrite NPs may be promising for future generation spintronics, magneto-electronics, and ultra-high-density recording media as well as for radar absorbing applications.

}, issn = {2040-3364}, doi = {10.1039/c5nr06791j}, author = {Datt, Gopal and Sen Bishwas, Mousumi and Raja, M. Manivel and Abhyankar, A. C.} } @article {43619, title = {Parasitism by Chelonus blackburni (Hymenoptera) affects food consumption and development of Helicoverpa armigera (Lepidoptera) and cellular architecture of the midgut}, journal = {Journal of Asia-Pacific Entomology}, volume = {19}, year = {2016}, month = {MAR}, pages = {65-70}, abstract = {Biological control agents are vital components of an integrated pest management strategy, and this is frequently referred to as natural control. Natural enemies of insect pests include predators, parasitoids, and pathogens. Among them, a parasitoid, Chelonus blackburni (Cameron), was found to be the best biological control agent for the polyphagous pest, Helicoverpa armigera (Hubner). C. blackburni alters the feeding performance of H. annigera larvae upon parasitism and as a result severely affects growth and development. Moreover, it shortens the feeding period of H. armigera and increases mortality. Furthermore, total hemocyte count (THC) was significantly decreased in parasitized larvae than control. Parasitized H. armigera had 26\% less number of blood cells compared to healthy larvae. Histological studies showed that the structure of midgut of H. annigera is drastically affected by C. blackburni leading to reduced food consumption, which ultimately led to larval death. The present study provides an insight to changes involved in H. annigera due to parasitism by C blackburni, a parasite that could be used as an effective biocontrol agent to manage H. armigera. (C) 2015 Korean Society of Applied Entomology, Taiwan Entomological Society and Malaysian Plant Protection Society. Published by Elsevier B.V. All rights reserved.}, doi = {10.1016/j.aspen.2015.11.005}, author = {Sanap, Yogita and Dawkar, Vishal V. and Giri, Ashok P. and Sen, Avalokiteswar and Pandit, Radhakrishna S.} } @article { ISI:000369203800013, title = {Pd-catalyzed reductive cleavage of N-N bond in dibenzyl-1-alkylhydrazine-1,2-dicarboxylates with PMHS: application to a formal enantioselective synthesis of (R)-sitagliptin}, journal = {Tetrahedron Letters}, volume = {57}, number = {6}, year = {2016}, month = {FEB}, pages = {684-687}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

An environmentally benign approach involving Pd-catalyzed reductive N-N bond cleavage in dibenzyl-1-alkylhydrazine-1,2-dicarboxylates leading to the synthesis of N-(tert-butoxy)carbamates under very mild conditions has been described. PMHS serves as an inexpensive source of hydride in MeOH/deionized H2O medium. This protocol has been successfully applied in the formal synthesis of (R)-sitagliptin, an anti-diabetic drug. (C) 2015 Elsevier Ltd. All rights reserved.

}, keywords = {anti-Diabetic, Environmentally benign, Hydrazine, PMHS, Reductive cleavage}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2015.12.116}, author = {Dey, Soumen and Gadakh, Sunita K. and Ahuja, Brij Bhushan and Kamble, Sanjay P. and Sudalai, Arumugam} } @article {45868, title = {Peeping into genomic architecture by re-sequencing of Ochrobactrum intermedium M86 strain during laboratory adapted conditions}, journal = {Genomics Data}, volume = {8}, year = {2016}, month = {JUN}, pages = { 72-76}, type = {Article}, abstract = {Advances in de novo sequencing technologies allow us to track deeper insights into microbial genomes for restructuring events during the course of their evolution inside and outside the host. Bacterial species belonging to Ochrobactrum genus are being reported as emerging, and opportunistic pathogens in this technology driven era probably due to insertion and deletion of genes. The Ochrobactrum intermedium M86 was isolated in 2005 from a case of non-ulcer dyspeptic human stomach followed by its first draft genome sequence in 2009. Here we report re-sequencing of O. intermedium M86 laboratory adapted strain in terms of gain and loss of genes. We also attempted for finer scale genome sequence with 10 times more genome coverage than earlier one followed by comparative evaluation on Ion PGM and Illumina MiSeq. Despite their similarities at genomic level, lab-adapted strain mainly lacked genes encoding for transposase protein, insertion elements family, phage tail-proteins that were not detected in original strain on both chromosomes. Interestingly, a 5 kb indel was detected in chromosome 2 that was absent in original strain mapped with phage integrase gene of Rhizobium spp. and may be acquired and integrated through horizontal gene transfer indicating the gene loss and gene gain phenomenon in this genus. Majority of indel fragments did not match with known genes indicating more bioinformatic dissection of this fragment. Additionally we report genes related to antibiotic resistance, heavy metal tolerance in earlier and re-sequenced strain. Though SNPs detected, there did not span urease and flagellar genes. We also conclude that third generation sequencing technologies might be useful for understanding genomic architecture and re-arrangement of genes in the genome due to their ability of larger coverage that can be used to trace evolutionary aspects in microbial system. }, doi = {10.1016/j.gdata.2016.04.003}, author = {Gohil, K. N. and Neurgaonkar, P. S. and Paranjpe, A. and Dastager, S. G. and Dharne, M. S.} } @article { ISI:000372684900009, title = {Photocatalytic H-2 evolution from water-methanol mixtures on InGaO3(ZnO)(m) with an anisotropic layered structure modified with CuO and NiO cocatalysts}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {415}, year = {2016}, month = {MAY}, pages = {82-88}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

InGaO3(ZnO)(m) series of oxides is found to be active for photocatalytic H-2 evolution from water-methanol mixtures. The structure of this series is highly anisotropic with InO6 octahedral layers sandwiching Ga/ZnOn polyhedra. The structural anisotropy in which the conducting layer is spatially separated from the charge generation sites may help in suppressing charge recombination and consequently enhance catalytic activity. The band gaps of the series obtained from absorption spectra are above 3.6 eV and hence they are not active under visible light irradiation. H-2 evolution is considerably enhanced under UV light on employing NiO as cocatalyst due to facile electron transfer from InGaO3(ZnO)(m). to NiO. However, when CuO is used as cocatalyst, visible light activity could be brought out. Due to the very low band gap of CuO, it can act as a sensitizer absorbing in visible light. The band positions become conducive for H-2 evolution due to band alignments consequent to electron accumulation in CuO conduction band. (C) 2016 Elsevier B.V. All rights reserved.

}, keywords = {InGaO3(ZnO)(m), photocatalytic water splitting, visible light, XPS, XRD}, issn = {1381-1169}, doi = {10.1016/j.molcata.2016.01.018}, author = {Narendranath, Soumya B. and Thekkeparambil, Saranya V. and George, Leena and Thundiyil, Shibin and Devi, R. Nandini} } @article { ISI:000370900600019, title = {Photoluminescent tetrahedral d(10)-metal Schiff base complexes exhibiting highly ordered mesomorphism}, journal = {Polyhedron}, volume = {105}, year = {2016}, month = {FEB}, pages = {150-158}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A series of four-coordinate d(10)-metal complexes of the type [ML2] {M = Zn, Cd, Hg; L = 4-nitro-2-((octadecylimino)methyl)phenol}, incorporating a new N-alkylated bidentate [N,O]-donor salicylaldimine Schiff base ligand, has been synthesized and characterized by elemental analyses, FT-IR, UV-Vis, H-1 NMR and FAB-mass spectroscopies. The ligand is non-mesomorphic and devoid of any photoluminescence. The zinc(II) and cadmium(II) complexes displayed highly ordered mesophases reminiscent of soft crystals. The phases have been characterized by polarizing optical microscopy (POM), differential scanning calorimetry (DSC) and powder X-ray diffraction (PXRD) studies. The complex of mercury(II) decomposed prior to melting. An orthogonal symmetry with a {\textquoteleft}herringbone{\textquoteright} array for the zinc complex and a primitive triclinic symmetry (p(1)) for the cadmium complex, respectively, has been proposed. The complexes exhibited fluorescence at room temperature, both in the solution and in the solid state, with emission maxima in the blue region. Density functional theory (DFT) calculations carried out using the GAUSSIAN 09 program at the B3LYP level revealed a distorted tetrahedral geometry around the metal center in all the complexes. Natural bond orbital (NBO) analysis suggested appreciable charge transfer from the ligand to the metal center in the complexes. (C) 2015 Elsevier Ltd. All rights reserved.

}, keywords = {Density functional theory, Luminescence, Mesophase, Schiff base, X-ray diffraction}, issn = {0277-5387}, doi = {10.1016/j.poly.2015.11.053}, author = {Chakraborty, Sutapa and Purkayastha, Debraj Dhar and Das, Gobinda and Bhattacharjee, Chira R. and Mondal, Paritosh and Prasad, S. Krishna and Rao, D. S. Shankar} } @article { ISI:000379457400028, title = {Pick and choose the spectroscopic method to calibrate the local electric field inside proteins}, journal = {Journal of Physical Chemistry Letters}, volume = {7}, number = {13}, year = {2016}, month = {JUL}, pages = {2456-2460}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Electrostatic interactions in proteins play a crucial role in determining the structure function relation in biomolecules. In recent years, fluorescent probes have been extensively employed to interrogate the polarity in biological cavities through dielectric constants or semiempirical polarity scales. A choice of multiple spectroscopic methods, not limited by fluorophores, along with a molecular level description of electrostatics involving solute-solvent interactions, would allow more flexibility to pick and choose the experimental technique to determine the local electrostatics within protein interiors. In this work we report that ultraviolet/visible-absorption, infrared-absorption, or C-13 NMR can be used to calibrate the local electric field in both hydrogen bonded and non-hydrogen bonded protein environments. The local electric field at the binding site of a serum protein has been determined using the absorption wavelength as well as the carbonyl stretching frequency of its natural steroid substrate, testosterone. Excellent agreement is observed in the results obtained from two independent spectroscopic techniques.

}, issn = {1948-7185}, doi = {10.1021/acs.jpclett.6b00852}, author = {Haldar, Tapas and Kashid, Somnath M. and Deb, Pranab and Kesh, Sandeep and Bagchi, Sayan} } @article {42861, title = {Porous thin films towards bridging the material gap in heterogeneous catalysis}, journal = {Catalysis, Structure \& Reactivity}, volume = {2}, year = {2016}, month = {MAR}, pages = {1-12}, type = {Article}, abstract = {

An attempt has been made to bridge the material gap, existing between ideal single crystals and real-world powder nanocatalyst employed in surface science and heterogeneous catalysis, respectively. Simple wet chemical method (sol{\textendash}gel and spin-coating deposition) has been applied to make continuous Ce1 - xZrxO2 (x = 0{\textendash}1) (CZ) thin films with uniform thickness (~40 nm) and smooth surface characteristics. Uniform thickness and surface smoothness of the films over a large area was supported by a variety of measurements. Molecular beam (MB) studies of O2 adsorption on CZ surfaces reveals the oxygen storage capacity (OSC), and sticking coefficient increases from 400 to 800 K. Porous nature of Ce-rich CZ compositions enhances O2 adsorption and OSC, predominantly due to O-diffusion and redox nature, even at 400 K. A good correlation exists between MB measurements made on CZ films for oxygen adsorption, and OSC, and ambient pressure CO oxidation on powder form of CZ; this demonstrates the large potential to bridge the material gap. CZ was particularly chosen as a model system for the present studies, since it has been well-studied and a correlation between surface science properties made on thin films and catalysis on powder CZ materials could be a litmus test. Ambient catalysis on ceria-zirconia nanocatalyst correlates well with surface properties measured through molecular beam on thinfilm and close the material gap.

}, doi = {10.1080/2055074X.2015.1133269}, author = {Dubey, Anjani and Kolekar, Sadhu K. and Gnanakumar, Edwin S. and Roy, Kanak and Vinod, C. P. and Gopinath, Chinnakonda S.} } @article { ISI:000368189500001, title = {Potential dual role of eugenol in inhibiting advanced glycation end products in diabetes: proteomic and mechanistic insights}, journal = {Scientific Reports}, volume = {6}, year = {2016}, month = {JAN}, publisher = {NATURE PUBLISHING GROUP}, address = {MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND}, abstract = {

Medicinally important genus Ocimum harbors a vast pool of chemically diverse metabolites. Current study aims at identifying anti-diabetic candidate compounds from Ocimum species. Major metabolites in O. kilimandscharicum, O. tenuiflorum, O. gratissimum were purified, characterized and evaluated for anti-glycation activity. In vitro inhibition of advanced glycation end products (AGEs) by eugenol was found to be highest. Preliminary biophysical analysis and blind docking studies to understand eugenol-albumin interaction indicated eugenol to possess strong binding affinity for surface exposed lysines. However, binding of eugenol to bovine serum albumin (BSA) did not result in significant change in secondary structure of protein. In vivo diabetic mice model studies with eugenol showed reduction in blood glucose levels by 38\% likely due to inhibition of alpha-glucosidase while insulin and glycated hemoglobin levels remain unchanged. Western blotting using anti-AGE antibody and mass spectrometry detected notably fewer AGE modified peptides upon eugenol treatment both in vivo and in vitro. Histopathological examination revealed comparatively lesser lesions in eugenol-treated mice. Thus, we propose eugenol has dual mode of action in combating diabetes; it lowers blood glucose by inhibiting a-glucosidase and prevents AGE formation by binding to epsilon-amine group on lysine, protecting it from glycation, offering potential use in diabetic management.

}, issn = {2045-2322}, doi = {10.1038/srep18798}, author = {Singh, Priyanka and Jayaramaiah, Ramesha H. and Agawane, Sachin B. and Vannuruswamy, Garikapati and Korwar, Arvind M. and Anand, Atul and Dhaygude, Vitthal S. and Shaikh, Mahemud L. and Joshi, Rakesh S. and Boppana, Ramanamurthy and Kulkarni, Mahesh J. and Thulasiram, Hirekodathakallu V. and Giri, Ashok P.} } @article { ISI:000377425900059, title = {Problem solving and environmentally benign approach toward diversity oriented synthesis of novel 2-amino-3-phenyl (or Alkyl) sulfonyl-4H-chromenes at ambient temperature}, journal = {ACS Sustainable Chemistry \& Engineering}, volume = {4}, number = {6}, year = {2016}, month = {JUN}, pages = {3450-3464}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A problem solving, environmentally benign, and diversity oriented protocol has been described for multi component synthesis of medicinally privileged 2-amino-3-phenyl (or methyl) sulfonyl-4H-chromenes by one-pot, three component condensation among aldehydes, phenyl (or methyl) sulphonyl acetonitrile, and alpha-naphthol, 3-dimethylamino phenol, 4-hydroxy-N-methyl-quinoline-2-one as well as 4-hydroxycarbazole, using diethylamine as an efficient organo catalyst. The catalyst employed is commercially available, inexpensive, and nontoxic. Ambient reaction conditions, very high yields, wide scope, and avoidance of conventional isolation as well as chromatographic purification have improved the practical utility of this protocol manifold.

}, keywords = {2-Amino-3-methylsulfonyl-4H-chromenes, 2-Amino-3-phenylsulfonyl-4H-chromenes, diethylamine, green chemistry, Multicomponent synthesis, organocatalyst}, issn = {2168-0485}, doi = {10.1021/acssuschemeng.6b00484}, author = {Pandit, Kapil S. and Kupwade, Ravindra V. and Chavan, Pramod V. and Desai, Uday V. and Wadgaonkar, Prakash P. and Kodam, Kisan M.} } @article {43038, title = {Product distribution in hydrogenation of styrene oxide over Pd/chitosan catalyst}, journal = {Research on Chemical Intermediates}, volume = {42}, year = {2016}, month = {OCT}, pages = {7581-7595}, abstract = {

Palladium-decorated chitosan catalyst was synthesized by an impregnation method by varying the Pd loading in the range of 1-6 \%, and was evaluated for the regioselective hydrogenation of styrene oxide. In order to correlate the chemical and textural properties with the catalytic activity, all the prepared catalysts were characterized by techniques such as Fourier transform infrared spectroscopy, X-ray diffraction, scanning electron microscopy, transmission electron spectroscopy, thermo-gravimetric analysis, temperature-programmed desorption of NH3, and CO2 and N-2 physisorption. The synthesized catalysts were utilized for the efficient and regioselective ring opening of styrene oxide by hydrogenation under different conditions. The complete conversion of styrene oxide with 65 \% selectivity for 2-phenyl ethanol and 33 \% for 1-phenyl ethanol were obtained using 4 \% Pd/CS catalyst at 70 degrees C temperature and 3 MPa pressure. The mechanism for the regio selective ring opening of styrene oxide to 1- and 2-phenyl ethanol was also proposed on the basis of properties of the catalyst support, catalytic activity and selectivity. These results indicated that the catalytic activity and selectivity of the catalysts were affected by the nature of support. Further, the basic properties of the support play an important role in the selectivity of the styrene oxide hydrogenation reaction.

}, doi = {10.1007/s11164-016-2554-3}, author = {Viswanadhan, Maya and Potdar, Aparna and Divakaran, Anumon V. and Badiger, Manohar V. and Rode, Chandrashekhar} } @article {43633, title = {Promising field electron emission performance of vertically aligned one dimensional (1D) brookite (beta) TiO2 nanorods}, journal = {RSC Advances}, volume = {6}, year = {2016}, month = {OCT}, pages = {98722-98729}, abstract = {We evidence field-electron emission (FE) studies on the large-area array of one-dimensional (1D) brookite (beta) TiO2 nanorods. The pure 1D beta-TiO2 nanorods of 10 nm width and 760 nm long were synthesized on Si substrate utilizing hot-filament metal vapor deposition technique. X-ray diffraction (XRD) and transmission electron microscopy (TEM) analysis evidenced the beta-TiO2 nanorods to be composed of orthorhombic crystals in brookite (beta) phase. X-ray photoemission spectroscopy (XPS) revealed the formation of pure stoichiometric (i.e. 1 : 1.98) 1D TiO2 nanorods. The values of turn-on field, required to draw current density of 10 mA cm(-2), was observed 3.9 V mu m(-1) for pristine 1D beta-TiO2 nanorods emitters, which were found significantly lower than doped/undoped 1D TiO2 nanostructures (i.e. nanotubes, nanowires, nanorods) based field emitters. The enhanced FE behavior of the TiO2/Si emitter can be attributed to modulation of electronic properties due to the high aspect ratio of vertically aligned TiO2 nanorods. Furthermore, the orthodox emission situation of pristine TiO2/Si emitters exhibit good emission stability and reveal their potentials as promising FE material.}, doi = {10.1039/c6ra20747b}, author = {Devan, Rupesh S. and Ma, Yuan-Ron and More, Mahendra A. and Khare, Ruchita T. and Antad, Vivek V. and Patil, Ranjit A. and Thakare, Vishal P. and Dhayal, Rajendra S. and Schmidt-Mende, Lukas} } @article { 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 {43452, title = {Proton-coupled electron transfer in a hydrogen-bonded charge transfer complex}, journal = {Journal of Physical Chemistry B}, volume = {120}, year = {2016}, month = {OCT}, pages = {10780-10785}, abstract = {A proton-coupled electron transfer (PCET) reaction in a hydrogen bonded charge-transfer (CT) complex of 4-([2,2{\textquoteright}-bipyridin]-4-yl)phenol (bpy-phenol) with a F- ion has been investigated by ultrafast time-resolved transient absorption spectroscopy. The phenolic receptor molecule, bpy-phenol, binds to the F- ion through a hydrogen bond and senses the F- ion-via the Stokes-shifted CT band. Upon photoexcitation, CT from the phenol residue to the bpy residue promotes proton transfer from the phenol radical cation (ArOH center dot+) to the fluoride ion at ultrafast time scales of <150 fs (instrument response function limited) and 3 ps, separately. The fast and slow proton-transfer times are linked to two different types of hydrogen-bonding networks between the phenol residue and fluoride ion. Crystalline water in the fluoride salt hydrates mediates the proton-transfer reaction. This work demonstrates the participation of a hydrogen-bonded water bridge within a PCET reaction in a water restricted environment.}, doi = {10.1021/acs.jpcb.6b06032}, author = {Verma, Sandeep and Aute, Sunil and Das, Amitava and Ghosh, Hirendra N.} } @article { ISI:000382535600016, title = {Purification and partial characterization of novel penicillin V acylase from Acinetobacter sp AP24 isolated from loktak lake, an indo-burma biodiversity hotspot}, journal = {Preparative Biochemistry \& Biotechnology}, volume = {46}, number = {5}, year = {2016}, month = {OCT}, pages = {524-530}, publisher = {TAYLOR \& FRANCIS INC}, address = {530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA}, abstract = {

Members of the bacterial genus Acinetobacter have attracted great attention over the past few decades, on account of their various biotechnological applications and clinical implications. In this study, we are reporting the first experimental penicillin V acylase (PVA) activity from this genus. Penicillin acylases are pharmaceutically important enzymes widely used in the synthesis of semisynthetic beta-lactam antibiotics. The bacterium, identified as Acinetobacter sp. AP24, was isolated from the water of Loktak Lake (Manipur, India), an Indo-Burma biodiversity hotspot. PVA production was increased threefold in an optimized medium with 0.2\% sodium glutamate and 1\% glucose as nitrogen and carbon sources respectively, after 24hr of fermentation at 28 degrees C and pH 7.0 with shaking at 180rpm. The enzyme was purified to homogeneity by cation-exchange chromatography using SP-sepharose resin. The PVA is a homotetramer with subunit molecular mass of 34 kD. The enzyme was highly specific toward penicillin V with optimal hydrolytic activity at 40 degrees C and pH 7.5. The enzyme was stable from pH 5.0 to 9.0 at 25 degrees C for 2hr. The enzyme retained 75\% activity after 1hr of incubation at 40 degrees C at pH 7.5.

}, keywords = {6-APA, Acinetobacter, Loktak Lake, Penicillin V acylase}, issn = {1082-6068}, doi = {10.1080/10826068.2015.1084636}, author = {Philem, Pushparani Devi and Sonalkar, Vidya V. and Dharne, Mahesh S. and Prabhune, Asmita} } @article {43644, title = {PVAc/PEDOT:PSS/graphene-iron oxide nanocomposite (GINC): an efficient thermoelectric material}, journal = {RSC Advances}, volume = {6}, year = {2016}, month = {FEB}, pages = {22453-22460}, abstract = {A green method for the synthesis of a graphene-iron oxide nanocomposite (GINC) and its PVAc based polymer nanocomposites was reported in an earlier communication. The fabricated PVAc-GINC film exhibited a conductivity of 2.18 x 104 S m(-1) with a Seebeck coefficient of 38.8 mu V K-1. Hence, the power factor (PF) reached a value of 32.90 mu W m(-1) K-2 which is 27 fold higher than a thermoelectric material based on a PVAc-graphene composite as reported in the contemporary literature. In continuation of the above mentioned study, PEDOT:PSS was used to further enhance the power factor (PT) and figure of merit (ZT) of the system. During evaluation, a PEDOT: PSS/GINC composite (5 : 95) showed a remarkable increase in various thermoelectric properties like electrical conductivity (8.0 x 10(4) S m(-1)) with a Seebeck coefficient of 25.42 mu V K-1 and thermal conductivity 0.90 m(-1) K-1. Hence PF and ZT reach up to 51.93 mW m(-1) K-2 and 0.017, respectively. To improve the mechanical strength of the polymer composite, cellulose fibre was also employed. By the addition of cellulose fibre, though the mechanical strength of the composite increases the PF reaches 5.6, which is 10 times lower than the PEDOT:PSS/GINC composite.}, doi = {10.1039/c5ra26138d}, author = {Dey, Abhijit and Maity, Arunava and Khan, Md Abdul Shafeeuulla and Sikder, Arun Kanti and Chattopadhyay, Santanu} } @article {45657, title = {Pyramiding PvPGIP2 and TAXI-III but not PvPGIP2 and PMEI enhances resistance against fusarium graminearum}, journal = {Molecular Plant-Microbe Interactions}, volume = {29}, year = {2016}, month = {AUG}, pages = {629-639}, type = {Article}, abstract = {

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

}, issn = {0894-0282}, doi = {10.1094/MPMI-05-16-0089-R}, author = {Tundo, Silvio and Kalunke, Raviraj and Janni, Michela and Volpi, Chiara and Lionetti, Vincenzo and Bellincampi, Daniela and Favaron, Francesco and D{\textquoteright}Ovidio, Renato} } @article {43601, title = {Radio-frequency triggered heating and drug release using doxorubicin-loaded LSMO nanoparticles for bimodal treatment of breast cancer}, journal = {Colloids and Surfaces B-Biointerfaces}, volume = {145}, year = {2016}, month = {SEP}, pages = {878-890}, abstract = {Radio-frequency responsive nanomaterials combined with drugs for simultaneous hyperthermia and drug delivery are potential anti-cancer agents. In this study, chitosan coated La0.7Sr0.3MnO3 nanoparticles (C-LSMO NPs) were synthesized and characterized by X-ray diffraction, dynamic light scattering, Fourier transform infra red spectroscopy, vibrating sample magnetometer, scanning electron and atomic force microscopy, Under low radio-frequency (365 kHz, RF), C-LSMO NPs (90 nm) showed good colloidal stability (+22 mV), superparamagnetic nature (15.4 emu/g) and heating capacity (57.4W/g SAR value). Chitosan facilitated doxorubicin entrapment (76\%) resulted in DC-LSMO NPs that showed drug release upon a 5 min RF exposure. MCF-7 and MDA-MB-231 cancer cells responded to a 5 min RF exposure in the presence of bimodal DC-LSMO NPs with a significant decrease in viability to 73\% and 88\% (Pearson correlation, r = 1, P<0.01) respectively, as compared to hyperthermia alone. Internalization of DC-LSMO NPs via the endosomal pathway led to an efficient localization of doxorubicin within the cell nucleus. The ensuing DNA damage, heat shock protein induction, and caspase production triggered apoptotic cell death. Moreover, DC-LSMO NPs successfully restricted the migration of metastatic MDA-MB-231 cancer cells. These data suggest that DC-LSMO NPs are potential bimodal therapeutic agents for cancer treatment and hold promise against disease recurrence and drug resistance. (C) 2016 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.colsurfb.2016.06.010}, author = {Kulkarni, Vaishnavi M. and Bodas, Dhananjay and Dhoble, Deepa and Ghormade, Vandana and Paknikar, Kishore} } @article { ISI:000375837100034, title = {Reclassification of bacillus isronensis shivaji et al. 2009 as solibacillus isronensis comb. nov and emended description of genus solibacillus krishnamurthi et al. 2009}, journal = {International Journal of Systematic and Evolutionary Microbiology}, volume = {66}, number = {5}, year = {2016}, month = {MAY}, pages = {2113-2120}, publisher = {SOC GENERAL MICROBIOLOGY}, address = {MARLBOROUGH HOUSE, BASINGSTOKE RD, SPENCERS WOODS, READING RG7 1AG, BERKS, ENGLAND}, abstract = {

An investigation into the taxonomic position of Bacillus isronensis MTCC 7902(T) revealed that the strain shares a common phylogenetic lineage with Solibacillus silvestris MTCC 10789(T). It displays considerable overlap in phenotypic properties with the genus Solibacillus, including endospore shape and position, oxidase and catalase activities, presence of iso-C-15 : 0, C-16 : (1)omega 7c alcohol and iso-C-17 : 1 omega 7c as major cellular fatty acids, A4 alpha-type cell-wall peptidoglycan, polar lipids and menaquinone pattern. These features reinforce the findings of molecular phylogenetic analyses based on 16S rRNA gene, gyrB gene and 16S-23S internal transcribed spacer (ITS) region sequences and, in line with the recommendations of Kampfer et al. [Int J Syst Evol Microbiol 56 (2006), 781-786], provide justification for the transfer of Bacillus isronensis from the genus Bacillus to Solibacillus as Solibacillus isronensis comb. nov. The type strain is B3W22(T) (=MTCC 7902(T) =DSM 21046(T) =JCM 13838(T)). An emended description of the genus Solibacillus is also provided.

}, issn = {1466-5026}, doi = {10.1099/ijsem.0.000982}, author = {Mual, Poonam and Singh, Nitin Kumar and Verma, Ashish and Schumann, Peter and Krishnamurthi, Srinivasan and Dastager, Syed Gulam and Mayilraj, Shanmugam} } @article {45632, title = {Reduced graphene oxide modified electrodes for sensitive sensing of gliadin in food samples}, journal = {ACS Sensors}, volume = {1}, year = {2016}, month = {DEC}, pages = {1462-1470}, type = {Article}, abstract = {

Incidences of food allergies are on the rise, which can greatly affect the well-being of children as well as adults. Intolerance to gluten, a protein composite of gliadin and glutenin, present in wheat, barley, and rye and several cereals, can be the causative agent of celiac disease (CD) and other allergic reactions. A gluten-free diet has become essential for people affected by CD, and consequently, the amount of gluten in food products needs to be strictly controlled. In this paper, we report an electrochemical label-free immunosensor for ultrasensitive and specific detection of gliadin. The sensor takes advantage of the specific properties of porous reduced graphene oxide (prGO) covalently functionalized with anti-gliadin antibodies using 1-pyrenecarboxylic acid as linker molecule. Using differential pulse voltammetry (DPV) and [Fe(CN)6](3-/4-) as a redox probe, a decrease of current is linked to the presence of gliadin. The sensor achieved a detection limit of 1.2 ng mL(-1) over a 1.2-34 ng mL(-1) linear range with high selectivity. The advantages offered by this sensor are the possibility to regenerate the surface of the immunosensor, its rapid and ease of production, as well as applicability for the screening of gliadin concentrations in real food samples, as shown here.

}, keywords = {anti-gliadin antibody, food samples, gliadin, Immunosensor, Porous reduced graphene oxide}, issn = {2379-3694}, doi = {10.1021/acssensors.6b00608}, author = {Chekin, Fereshteh and Singh, Santosh K. and Vasilescu, Alina and Dhavale, Vishal M. and Kurungot, Sreekumar and Boukherroub, Rabah and Szunerits, Sabine} } @article { ISI:000378392200016, title = {Reductive nitrosylation of nickel(II) complex by nitric oxide followed by nitrous oxide release}, journal = {Dalton Transactions}, volume = {45}, number = {25}, year = {2016}, month = {MAY}, pages = {10200-10208}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Ni(II) complex of ligand L (L = bis(2-ethyl-4-methylimidazol-5-yl)methane) in methanol solution reacts with an equivalent amount of NO resulting in a corresponding Ni(I) complex. Adding further NO equivalent affords a Ni(I)-nitrosyl intermediate with the {NiNO}(10) configuration. This nitrosyl intermediate upon subsequent reaction with additional NO results in the release of N2O and formation of a Ni(II)-nitrito complex. Crystallographic characterization of the nitrito complex revealed a symmetric eta(2)-O,O-nitrito bonding to the metal ion. This study demonstrates the reductive nitrosylation of a Ni(II) center followed by N2O release in the presence of excess NO.

}, issn = {1477-9226}, doi = {10.1039/c6dt00826g}, author = {Ghosh, Somnath and Deka, Hemanta and Dangat, Yuvraj B. and Saha, Soumen and Gogoi, Kuldeep and Vanka, Kumar and Mondal, Biplab} } @article { ISI:000369545400074, title = {Re-engineering of PIP3-antagonist triazole PITENIN{\textquoteright}s chemical scaffold: development of novel antifungal leads}, journal = {RSC Advances}, volume = {6}, number = {14}, year = {2016}, month = {JAN}, pages = {11691-11701}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

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

}, issn = {2046-2069}, doi = {10.1039/c5ra25145a}, author = {Pulya, Sravani and Kommagalla, Yadagiri and Sant, Duhita G. and Jorwekar, Shweta U. and Tupe, Santosh G. and Deshpande, Mukund V. and Ramana, Chepuri V.} } @article {45877, title = {Removal of arsenite [As(III)] and arsenate [As(V)] ions from wastewater using TFA and TAFA resins: computational intelligence based reaction modeling and optimization}, journal = {Journal of environmental chemical engineering}, volume = {4}, year = {2016}, month = {DEC}, pages = {4275-4286}, type = {Article}, abstract = {Being significantly toxic, removal of arsenic forms an important part of the drinking- and waste-water treatment. Tannin is a polyphenol-rich substrate that efficiently and adsorptively binds to the multivalent metal ions. In this study, tannin-formaldehyde (TFA) and tannin-aniline-formaldehyde (TAFA) resins were synthesized and employed successfully for an adsorptive removal of arsenite [As(III)] and arsenate [As(V)] ions from the contaminated water. Next, a computational intelligence (CI) based hybrid strategy was used to model and optimize the resin-based adsorption of As(III) and As(V) ions for securing optimal reaction conditions. This strategy first uses an exclusively reaction data driven modeling strategy, namely, genetic programming (GP) to predict the extent (\%) of As(III)/As(V) adsorbed on TFA and TAFA resins. Next, the input space of the GP-based models consisting of the reaction condition variables/parameters was optimized using genetic algorithm (GA) method; the objective of this optimization was to maximize the adsorption of As(III) and As(V) ions on the two resins. Finally, the sets of optimal reaction conditions provided by GP-GA hybrid method were verified experimentally the results of which indicate that the optimized conditions have lead to 0.3\% and 1.3\% increase in the adsorption of As(III) and As(V) ions on TFA resin. More significantly, the optimized conditions have increased the adsorption of As(III) and As(V) on TAFA resin by 3.02\% and 12.77\%, respectively. The GP-GA based strategy introduced here can be gainfully utilized for modeling and optimization of similar type of contaminant-removal processes. }, doi = {10.1016/j.jece.2016.09.030}, author = {Patil-Shinde, V. and Mulani, K. B. and Donde, K. and Chavan, N. N. and Ponrathnam, S. and Tambe, S. S.} } @article { ISI:000373481000005, title = {Restricted diet breadth of the larvae of antheraea assamensis and the role of the labrum-epipharynx and galeal sensilla}, journal = {Entomological Research}, volume = {46}, number = {2}, year = {2016}, month = {MAR}, pages = {128-138}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

The silkworm, Antheraea assamensisHelfer (Lepidoptera: Saturniidae), grows primarily on Persea bombycina and Litsea polyantha. To understand if the restricted diet breadth is due to the specific role of gustatory sensilla of the larvae of A.assamensis, the same fifth instar larvae retaining only labrum-epipharynx or galeal sensilla were subjected to food choice tests. The foods used were leaves of two host-plant and two non-host-plant species. Mean per cent consumption and per cent of choosing larvae were used as parameters for drawing conclusions. The finding indicated involvement of the labrum-epipharynx for acceptance and galeal sensilla for rejection of a non-host-plant species. Scanning electron microscope studies revealed the presence of two sensilla on the galea, one lateral and one medial sensilla styloconicum and two gustatory sensilla in the epipharynx of A.assamensis. The study revealed the key role of galeal sensilla in the restrictive diet-breadth of A.assamensis.

}, keywords = {food choice, galea, gustatory organs, labrum}, issn = {1738-2297}, doi = {10.1111/1748-5967.12159}, author = {Bora, Dipsikha S. and Deka, Bhabesh and Sen, Avolikiteswar} } @article { ISI:000371664700022, title = {Rhodium-catalyzed ortho C-H bond activation of arylamines for the synthesis of quinoline carboxylates}, journal = {Organic \& Biomolecular Chemistry}, volume = {14}, number = {10}, year = {2016}, month = {FEB}, pages = {2969-2977}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The rhodium catalyzed annulation of anilines with alkynic esters allowing for the high-yield synthesis of quinoline carboxylates with excellent regioselectivity is described. This unprecedented reaction employs either formic acid as the C1 source and reductant or copper(II) as the oxidant and is proposed to proceed via rhodacycle of in situ generated amide and enamine ester followed by ortho C-H activation of arylamines with rhodium as the catalyst.

}, issn = {1477-0520}, doi = {10.1039/c6ob00170j}, author = {Gadakh, Sunita K. and Dey, Soumen and Sudalai, A.} } @article {43589, title = {RNAi of selected candidate genes interrupts growth and development of Helicoverpa armigera}, journal = {Pesticide Biochemistry and Physiology}, volume = {133}, year = {2016}, month = {OCT}, pages = {44-51}, abstract = {Helicoverpa armigera is one of the major crop pests and is less amenable to current pest control approaches. RNA interference (RNAi) is emerging as a potent arsenal for the insect pest control over current methods. Here, we examined the effect on growth and development in H. armigera by targeting various enzymes/proteins such as proteases like trypsins (HaTry2, 3, 4 and 6), chymotrypsin (HaChy4) and cysteine protease like cathepsin (HaCATHL); glutathione S-transferases (HaGST1a, 6 and 8); esterases (HaAce4, HaJHE); catalase (HaCAT); super-oxide-dismutase (HaCu/ZnSOD); fatty acid binding protein (HaFabp) and chitin deacetylase (HaCda5b) through dsRNA approach. Significant downregulation of cognate mRNA expression and reduced activity of trypsin and GST-like enzyme were evident upon feeding candidate dsRNAs to the larvae. Among these, the highest mortality was observed in HaAce4 dsRNA fed larvae followed by HaJHE; HaCAT; HaCuZnSOD; HaFabp and HaTry3 whereas remaining ones showed relatively lower mortality. Furthermore, the dsRNA fed larvae showed significant reduction in the larval mass and abnormalities at the different stages of H. armigera development compared to their control diets. For example, malformed larvae, pupae and moth at a dose of 60 pg/day were evident in high number of individual insects fed on dsRNA containing diets. Moreover, the growth and development of insects and moths were retarded in dsRNA fed larvae. These findings might provide potential new candidates for designing effective dsRNA as pesticide in crop protection. (C) 2016 Elsevier Inc. All rights reserved.}, doi = {10.1016/j.pestbp.2016.03.006}, author = {Chikate, Yojana R. and Dawkar, Vishal V. and Barbole, Ranjit S. and Tilak, Priyadarshini V. and Gupta, Vidya S. and Giri, Ashok P.} } @article {45873, title = {Role of helical spring locked washer in bolted join tanalysis: A review}, journal = {International Journal of Structural Integrity}, volume = {7}, year = {2016}, month = {JUN}, pages = {346-358}, type = {Article}, abstract = {Purpose-The purpose of this paper is to give a brief introduction of helical spring locked washer along with extensive literatures survey on role of helical spring locked washer in bolted joint analysis. It is very small component of bolted joint assembly, but it play vital role in holding the assembly components together. Helical shape of it produces spring effect in the assembly which is used for keeping the assembly in tension and that is lock the assembly under dynamic loading due to vibrations to avoid the accident. Design/methodology/approach-The critical literatures survey identifies role of helical spring locked washer in different areas such as design optimization, mechanism of loosening-resistant components, bolted joint analysis, finite element-based modeling, analysis and simulation. The related literatures show contribution of helical spring washers in evaluation of anti-loosening performance of assemblies as compare to other types of washers. Findings-It proposed that design optimization of helical spring locked washer is needed as it improves the performance in the form of load-deflection characteristics, load bearing capacity and provides the best locking force for optimize functionality. Originality/value-The originality or value of this paper is to finding research gaps in literatures by dividing literatures into seven different research areas and concentrating the only on role of helical spring locked washer in bolted joint analysis. }, doi = {10.1108/IJSI-04-2015-0012}, author = {Wagh, H. K. and Desale, G. R. and Tripathi, K.} } @article {45633, title = {Ru-TiO2 semiconducting nanoparticles for the photo-catalytic degradation of bromothymol blue}, journal = {Journal of Materials Science-Materials in Electronics}, volume = {27}, year = {2016}, month = {DEC}, pages = {13065-13074}, type = {Article}, abstract = {

Photo-catalytic degradation of bromothymol blue (BTB) in an aqueous medium by Ru-TiO2 using UVC (254 nm) irradiation was investigated for a pH range of 4.0-8.0. The liquid impregnation method was used to synthesize 0.2, 0.4 and 0.8 \% ruthenium doped TiO2 (Ru-TiO2) nanoparticles. The characterizations of resulting nanoparticles were done using X-ray diffraction, scanning electron microscopy, fourier transform infrared spectroscopy, transmission electron microscopy (TEM) and energy dispersive X-ray spectroscopy analysis. The crystallite sizes of doped and undoped nanoparticles were determined from X-ray diffraction spectra using Scherrer equation. The average crystallite size of undoped TiO2 was found to be 17.00 nm, whereas the crystallite sizes of 0.2, 0.4 and 0.8 \% Ru-TiO2 were 16.67, 15.70 and 14.40 nm respectively. The TEM images confirm the particle sizes to be 10-40 nm. Pseudo-first order rate constants (k(obs)) determined were found to decrease with increase in pH. The effect of BTB Concentration, catalyst dosage, a percentage of doping of photo catalyst, pH and UV light intensity of BTB on the degradation rate were also examined.

}, issn = {0957-4522}, doi = {10.1007/s10854-016-5449-6}, author = {Kulkarni, R. M. and Malladi, R. S. and Hanagadakar, M. S. and Doddamani, M. R. and Santhakumari, B. and Kulkarni, S. D.} } @article { ISI:000369658100031, title = {Seeding of Au on CdSe/CdS nanoplates using Langmuir-Blodgett technique}, journal = {RSC Advances}, volume = {6}, number = {18}, year = {2016}, month = {JAN}, pages = {14658-14665}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Oleyl amine capped CdSe/CdS nanoplates were synthesized by hot injection technique which formed a stable monolayer over both a water subphase and an aqueous HAuCl4 subphase using a Langmuir-Blodgett trough. Au islands were generated at the edge as well as on one specific surface of the flat nanoplates by exploiting the reducing capacity of oleyl amine to form Au nanoseeds from AuCl4- ions. The initial Au nanoseeds changed to a shell surrounding these nanoplates on prolonged exposure to the subphase containing the Au precursor. Monolayer of the hybrid structures was deposited onto suitable substrates for characterization by a number of different techniques and to study the photocatalytic activity. The same substrate with the monolayers could be re-used in several cycles of photocatalysis.

}, issn = {2046-2069}, doi = {10.1039/c5ra26018c}, author = {Das, Subhasis and Satpati, Biswarup and Chauhan, Himani and Deka, Sasanka and Ghosalya, Manoj Kumar and Gopinath, Chinnakonda S. and Bala, Tanushree} } @article {43609, title = {Selenium-containing fused bicyclic heterocycle diselenolodiselenole: field effect transistorstudy and structure property relationship}, journal = {ACS Applied Materials \& Interfaces}, volume = {8}, year = {2016}, month = {JUL}, pages = {18222-18230}, abstract = {The first application of the diselenolodiselenole (C4Se4) heterocycle as an active organic field effect transistor materials is demonstrated here. C4Se4 derivatives (2a-2d) were obtained by using a newly developed straightforward diselenocyclization protocol, which includes the reaction of diynes with selenium powder at elevated temperature. C4Se4 derivatives exhibit strong donor characteristics and planar structure (except 2d). The atomic force microscopic analysis and thin-film X-ray diffraction pattern of compounds 2a-2d indicated the formation of distinct crystalline films that contain large domains. A scanning electron microscopy study of compound 2b showed development of symmetrical grains with an average diameter of 150 nm. Interestingly, 2b exhibited superior hole mobility, approaching 0.027 cm(2) V-1 s(-1) with a transconductance of 9.2 mu S. This study correlate the effect of p-stacking, Se center dot center dot center dot Se intermolecular interaction, and planarity with the charge transport properties and performance in the field effect transistor devices. We have shown that the planarity in C4Se4 derivatives was achieved by varying the end groups attached to the C4Se4 core. In turn, optoelectronic properties can also be tuned for all these derivatives by end-group variation.}, doi = {10.1021/acsami.6b02154}, author = {Debnath, Sashi and Chithiravel, Sundaresan and Sharma, Sagar and Bedi, Anjan and Krishnamoorthy, Kothandam and Zade, Sanjio S.} } @article {42665, title = {Self- assembly of isomannide-based monoesters of C18-fatty acids and their cellular uptake studies}, journal = {RSC Advances}, volume = {6}, year = {2016}, month = {JUL}, pages = { 72074-72079}, type = {Article}, abstract = {

The self-assembling behavior of oleic, elaidic and stearic acid-isomannide glycolipids is revealed. Amongst these, oleic and elaidic acid-based isomannide lipids self-assembled to form microspheres which were efficiently taken up by cancer cell lines enabling their usage for drug delivery applications.

}, issn = {2046-2069}, doi = {10.1039/C6RA05608C}, author = {Dhasaiyan, Prabhu and Parekh, Nimisha and Reddy, T. Vijai Kumar and Rani, G. Sandhya and Devi, B. L. A. Prabhavathi and Bhagavatula L. V. Prasad} } @article {43662, title = {Self-exfoliated metal-organic nanosheets through hydrolytic unfolding of metal-organic polyhedra}, journal = {Chemistry-A European Journal}, volume = {23}, year = {2016}, month = {MAY}, pages = {7361-7366}, chapter = {7361-7366}, abstract = {Few-layers thick metal-organic nanosheets have been synthesized using water-assisted solid-state transformation through a combined top-down and bottom-up approach. The metal-organic polyhedra (MOPs) convert into metal-organic frameworks (MOFs) which subsequently selfexfoliate into few-layered metal-organic nanosheets. These MOP crystals experience a hydrophobicity gradient with the inner surface during contact with water because of the existence of hydrophobic spikes on their outer surface. When the amount of water available for interaction is higher, the resultant layers are not stacked to form bulk materials; instead few-layered nanosheets with high uniformity were obtained in high yield. The phenomenon has resulted high yield production of uniformly distributed layered metal-organic nanosheets from three different MOPs, showing its general adaptability.}, doi = {10.1002/chem.201700848}, author = {Garai, Bikash and Mallick, Arijit and Das, Anuja and Mukherjee, Rabibrata and Banerjee, Rahul} } @article {45642, title = {Silk fibroin-sophorolipid gelation: deciphering the underlying mechanism}, journal = {Biomacromolecules}, volume = {17}, year = {2016}, month = {OCT}, pages = {3318-3327}, type = {Article}, abstract = {

Silk fibroin (SF) protein, produced by silkworm Bombyx mori, is a promising biomaterial, while sophorolipid (SL) is an amphiphilic functional biosurfactant synthesized by nonpathogenic yeast Candida bombicola. SL is a mixture of two forms, acidic (ASL) and lactonic (LSL), which when added to SF results in accelerated gelation of silk fibroin. LSL is known to have multiple biological functionalities and hence hydrogels of these green molecules have promising applications in the biomedical sector. In this work, SANS, NMR, and rheology are employed to examine the assembling properties of individual and mixed SLs and their interactions with SF to understand the mechanism that leads to rapid gelation. SANS and NMR studies show that ASL assembles to form charged micelles, while LSL forms micellar assemblies and aggregates of a mass fractal nature. ASL and LSL together form larger mixed micelles, all of which interact differently with SF. It is shown that preferential binding of LSL to SF causes rapid unfolding of the SF chain leading to the formation of intermolecular beta sheets, which trigger fast gelation. Based on the observations, a mechanism for gelation of SF in the presence of different sophorolipids is proposed.

}, issn = {1525-7797}, doi = {10.1021/acs.biomac.6b01069}, author = {Dubey, Parul and Kumar, Sugam and Aswal, Vinod K. and Ravindranathan, Sapna and Rajamohanan, Pattuparambil R. and Prabhune, Asmita and Nisal, Anuya} } @article { ISI:000380038000012, title = {Site-selective synthesis and characterization of BODIPY-acetylene copolymers and their transistor properties}, journal = {Journal of Polymer Science Part A-Polymer Chemistry}, volume = {54}, number = {13}, year = {2016}, month = {JUL}, pages = {1978-1986}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

To study the effect of site-selective copolymerization of borondipyrromethene (BODIPY) with acetylene on the structural and optoelectronic properties, three copolymers P1-P3 were synthesized by the Sonogashira cross-coupling of BODIPY units with diacetylene and bromine capping through all the possible linkages: alpha-alpha (P1), alpha-beta (P2), and beta-beta (P3). The optoelectronic properties of the polymers were investigated systematically to understand the effect of site-selective polymerization. The HOMO levels of the polymers were significantly tuned from P1 to P3 with negligible change in the LUMO levels. Broadening of absorption spectra from P3 to P1 was observed because of increase in the extent of conjugation. Additionally, the charge transport properties of these polymers in organic thin-film transistors (OTFTs) revealed that P1 and P3 exhibited only p-type mobility, whereas P2 exhibited electron mobility. Notably, the further investigations of the surface morphology of polymer films by atomic force microscopy (AFM) unveiled that comb like nanostructural arrangements in P3 was beneficial for the charge-carrier mobility over the circular arrangements in P1 and P2. (C) 2016 Wiley Periodicals, Inc.

}, keywords = {acetylene, BODIPY, DFT, low-band gap}, issn = {0887-624X}, doi = {10.1002/pola.28064}, author = {Debnath, Sashi and Singh, Saumya and Bedi, Anjan and Krishnamoorthy, Kothandam and Zade, Sanjio S.} } @article { ISI:000372253200047, title = {Situ fabrication of highly crystalline CdS decorated Bi2S3 nanowires (nano-heterostructure) for visible light photocatalyst application}, journal = {RSC Advances}, volume = {6}, number = {28}, year = {2016}, month = {FEB}, pages = {23508-23517}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

In situ synthesis of the orthorhombic Bi2S3 nanowires decorated with hexagonal CdS nanoparticles (nano-heterostructure) has been demonstrated by a facile solvothermal method. The tiny 5-7 nm CdS spherical nanoparticles are decorated on the surfaces of 30-40 nm Bi2S3 nanowires, successfully. Structural, morphological and optical studies clearly show the existence of CdS on the nanowires. A possible sequential deposition growth mechanism is proposed on the basis of experimental results to reveal the formation of the nano heterostructure. The heterostructures have been used as a photocatalyst for hydrogen production as well as degradation of methylene blue under solar light. The maximum hydrogen evolution i.e. 4560 and 2340 mu mol h(-1) 0.5 g was obtained from H2S splitting and glycerol degradation for Bi2S3 NWs decorated with CdS nanoparticles (nano-heterostructure) which is higher than that of the Bi2S3 NWs (3000 and 1170 mu mol h(-1) 0.5 g, respectively). The enhanced photocatalytical hydrogen evolution efficiency of the heterostructures is mainly attributed to its nanostructure. In the nano heterostructure, the CdS nanoparticles control the charge carrier transition, recombination, and separation, while the Bi2S3 nanowire serves as a support for the CdS nanoparticles. The photogenerated electron{\textquoteright}s migration is faster than the holes from the inside of a CdS nanoparticle to its surface or to the phase interface, resulting in a relatively higher hole density inside the CdS nanoparticle leaving electron density at surface of the Bi2S3 NWs. This influences the photocatalytic activity under solar light. Such nano-heterostructures may have potential in other photocatalytic reactions.

}, issn = {2046-2069}, doi = {10.1039/c6ra01488g}, author = {Panmand, Rajendra P. and Sethi, Yogesh A. and Deokar, Rajashree S. and Late, Dattatray J. and Gholap, Haribhau M. and Baeg, Jin-Ook and Kale, Bharat B.} } @article { ISI:000365050700016, title = {Sol-gel synthesised WO3 nanoparticles supported on mesoporous silica for liquid phase nitration of aromatics}, journal = {Applied Catalysis B-Environmental}, volume = {182}, year = {2016}, month = {MAR}, pages = {142-152}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A series of WO3/SiO2 catalysts have been prepared by sol-gel method using ammonium metatungstate and ethyl silicate-40 (ES-40) as WO3 and SiO2 precursors respectively. The sol-gel method has led to the formation of WO3 nano-particles of 2-5 nm well dispersed on mesoporous silica along with some WO3{\textquoteright} agglomerates. Formation of monoclinic WO3 was seen on the catalysts above 5 wt\% WO3 loading by XRD analysis. Silica has shown very high surface area of 606 m(2)/g which decreased gradually upto 368 m(2)/g with 20 wt\% WO3 loading. 20 wt\% WO3/SiO2 catalyst has shown maximum acidity (0.56 mmol NH3/g) with presence of both Lewis and Bronsted acidity. UV-vis DRS analysis showed formation of polytungstate species along with WO3 on silica surface. The prepared catalysts were used for liquid phase nitration of aromatics using 70\% nitric acid as nitrating agent without using any sulfuric acid. Very high conversion (99\%) was obtained for p-cresol nitration with very high selectivity (99\%) for 2-nitro p-cresol. The water formed during the reaction was removed azeotropically using ethylene dichloride as solvent. In case of o-xylene 74\% conversion was obtained with 54\% selectivity for 4-nitro o-xylene. The effect of different WO3 precursors on nitration efficiency was studied using sodium tungstate and tungstic acid as precursors. However,ammonium metatungstate showed the highest acidity. Sodium tungstate showed formation of dimer of sodium tungstate which did not show any acidity and hence no activity for nitration. The mechanism for nitration using WO3/SiO2 has been proposed based on polarisation of water on tungsten centre generating Bronsted acidity which can further generate nitronium ion giving subsequently nitration of the aromatic ring. (C) 2015 Elsevier B.V. All rights reserved.

}, keywords = {Aromatic nitration, heterogeneous catalysis, Regioselective, Sol-gel synthesis, Water polarization}, issn = {0926-3373}, doi = {10.1016/j.apcatb.2015.09.020}, author = {Kulal, A. B. and Dongare, Mohan K. and Shubhangi B. Umbarkar} } @article { ISI:000370664300002, title = {Solid acid catalyzed synthesis of furans from carbohydrates}, journal = {Catalysis Reviews-Science and Engineering}, volume = {58}, number = {1}, year = {2016}, month = {JAN}, pages = {36-112}, publisher = {TAYLOR \& FRANCIS INC}, type = {Article}, address = {530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA}, abstract = {

The alternative feedstock, biomass (particularly lignocelluloses), having the profuse availability, is promising for the synthesis of several value-added chemicals which are currently obtained from fossil feedstock. In this article, the synthesis of two extremely significant furan chemicals viz. furfural and 5-hydroxymethylfurfural (HMF) are discussed. In the synthesis of furans from biomass, numerous challenges, i.e., use of edible sugars as substrates, selectivity to furans, their isolation in pure form, reuse of catalyst, environmental issues, etc., are perceived and in the recent past researchers tried to resolve those by developing advance methodologies. This article comprehensively summarizes the latest progress made in the above-mentioned areas and also provides commentary on the analyses of results, rationale for observed activity and mechanisms, etc. It also discusses future aspects of this work.

}, keywords = {Biomass conversion, carbohydrates, cellulose, furans, furfural, hemicelluloses, HMF, solid acid catalyst}, issn = {0161-4940}, doi = {10.1080/01614940.2015.1099894}, author = {Bhaumik, Prasenjit and Dhepe, Paresh Laxmikant} } @article {42897, title = {Solution-phase synthesis of the macrocyclic core of teixobactin}, journal = {European Journal of Organic Chemistry}, volume = {25}, year = {2016}, month = {SEP}, pages = {4289-4293}, abstract = {

Towards the total chemical synthesis of the exceptionally potent antibiotic teixobactin, we synthesized the macrocyclic core of a natural product by using a solution-phase approach. The gramscale synthesis of L-allo-enduracididine and Shiina macrolactonization are highlights of the present disclosure.

}, author = {Dhara, Santu and Gunjal, Vidya B. and Handore, Kishor L. and Reddy, D. Srinivasa} } @article { ISI:000375346500029, title = {Specific receptor for hydrazine: mapping the in situ release of hydrazine in live cells and in an in vitro enzymatic assay}, journal = {Chemical Communications}, volume = {52}, number = {36}, year = {2016}, month = {MAR}, pages = {6166-6169}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

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

}, issn = {1359-7345}, doi = {10.1039/c6cc01787h}, author = {Ali, Firoj and Anila, H. A. and Taye, Nandaraj and Mogare, Devraj G. and Chattopadhyay, Samit and Das, Amitava} } @article {45638, title = {Strategic Preparation of Efficient and Durable NiCo Alloy Supported N-Doped Porous Graphene as an Oxygen Evolution Electrocatalyst: A Theoretical and Experimental Investigation}, journal = {Advanced Materials Interfaces}, volume = {3}, year = {2016}, month = {OCT }, pages = {1600532}, type = {Article}, abstract = {

Development of an efficient and durable water splitting electrocatalyst holds a great commitment for the future energy devices. The real application of oxygen evolution reaction (OER) catalysts mainly suffers from sluggish kinetics and high overpotential except for the Ir and Ru-based systems. However, the high cost and vulnerability of the Ir and Ru metals are the main hostiles to use them for marketization. Herein, a high-performance OER electrocatalyst consisting of NiCo alloy nanoparticles supported on high surface area N-doped porous graphene (NiCo/pNGr(75: 25)) is reported. The importance of the doped-N for achieving the uniform dispersion-cum-effective interaction of the size controlled NiCo alloy nanoparticles has been explicitly investigated by transmission electron microscopy, X-ray diffraction, X-ray photo electron spectroscopy, Raman, density functional theory (DFT) calculations, etc. The electrochemical analysis of NiCo/pNGr(75: 25) shows an overpotential of approximate to 260 mV at 10 mA cm(-2) with a smaller Tafel slope of approximate to 87 mV dec(-1) and long catalytic durability. DFT calculations are done to check the interaction between the NiCo alloy nanoparticles and the defective sites of pNGr and also with the doped-N, which could be attained for maintaining long catalytic durability. Furthermore, NiCo/pNGr(75: 25) is used as an OER catalyst to fabricate an electrolyzer, which works at very low potential of 1.5 V in 1 M KOH.

}, issn = {2196-7350}, doi = {10.1002/admi.201600532}, author = {Singh, Santosh K. and Kumar, Deepak and Dhavale, Vishal M. and Pal, Sourav and Kurungot, Sreekumar} } @article { ISI:000370135100007, title = {Streptomyces lonarensis sp nov., isolated from lonar lake, a meteorite salt water lake in India}, journal = {Antonie Van Leeuwenhoek International Journal of General and Molecular Microbiology}, volume = {109}, number = {2}, year = {2016}, month = {FEB}, pages = {225-235}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

A novel alkaliphilic actinomycete, strain NCL716(T), was isolated from a soil sample collected from the vicinity of Lonar Lake, an alkaline salt water meteorite lake in Buldhana district of Maharashtra State in India. The strain was characterised using a polyphasic taxonomic approach which confirmed that it belongs to the genus Streptomyces. Growth was observed over a pH range of 7-11 at 28 A degrees C. The cell wall was found to contain ll-diaminopimelic acid and traces of meso-diaminopimelic acid. The major fatty acid components were identified as iso-C-16:0 (46.8 \%), C-17:1 (12.4 \%), anteiso-C-15:0 (5.1 \%) and anteiso-C-17:1 (4.8 \%). The major polar lipids were identified as diphosphatidylglycerol, phosphatidylethanolamine, phosphatidylglycerol and phosphatidylinositol. The major menaquinones were determined to be MK-9 (H-6) (70.3 \%), MK-9 (H-4) (15.5 \%) and MK-9 (H-8) (7.2 \%). The G+C content of the DNA of the type strain was determined to be 71.4 mol \%. The 16S rRNA gene sequence has been deposited in GenBank with accession number FJ919811. Although the 16S rRNA gene sequence analysis revealed that strain NCL716(T) shares \> 99 \% similarity with that of Streptomyces bohaiensis strain 11A07(T), DNA-DNA hybridization revealed only 33.2 +/- A 3.0 \% relatedness between them. Moreover, these two strains can be readily distinguished by some distinct phenotypic characteristics. Hence, on the basis of phenotypic and genetic analyses, it is proposed that strain NCL716(T) represents a novel species of the genus Streptomyces, for which the name Streptomyces lonarensis sp. nov., is proposed. The type strain is NCL 716(T) (=DSM 42084(T) = MTCC 11708(T) = KCTC 39684(T)).

}, keywords = {Alkaliphile, DDH analysis, Polyphasic taxonomy, Streptomyces lonarensis sp nov.}, issn = {0003-6072}, doi = {10.1007/s10482-015-0626-9}, author = {Sharma, Trupti K. and Mawlankar, Rahul R. and Sonalkar, Vidya V. and Shinde, Vidhya K. and Zhan, Jing and Li, Wen-Jun and Rele, Meenakshi V. and Dastager, Syed Gulam and Kumar, Lalitha Sunil} } @article { ISI:000375723900014, title = {Structural insight into self assembly of sophorolipids: a molecular dynamics simulation study}, journal = {Zeitschrift Fur Physikalische Chemie-International Journal of Research in Physical Chemistry \& Chemical Physics}, volume = {230}, number = {5-7, SI}, year = {2016}, month = {MAY}, pages = {819-836}, publisher = {WALTER DE GRUYTER GMBH}, address = {GENTHINER STRASSE 13, D-10785 BERLIN, GERMANY}, abstract = {

Sophorolipids contain hydrophilic head groups at the ends of a long hydrophobic tail. As a result, sophorolipids can self assemble into variety of structures in water. Atomistic self assembly simulations of sophorolipids are performed in water. Two sophorolipids, oleic acid sophorolipid and linolenic acid sophorolipid, differing in number of double bonds in the hydrophobic tail are considered for this study. Long time self assembly simulations are performed considering 1 :3 lipid to water ratio by weight for both oleic and linolenic acid sophorolipids. In addition to 1 : 3 ratio, long time self assembly simulations are also performed with 1 : 1 and 1 : 2 ratios for linolenic acid sophorolipids. Distinctions in structural arrangements of sophorolipid molecules in the self assembled configuration for all the systems are investigated. The present study aims to provide structural insight into the different self assembled configurations of sophorolipids in water.

}, keywords = {MD Simulation, self assembly, sophorolipids, United Atom Force Field}, issn = {0942-9352}, doi = {10.1515/zpch-2015-0719}, author = {Pandey, Prithvi Raj and Dhasaiyan, Prabhu and Bhagavatula L. V. Prasad and Roy, Sudip} } @article { ISI:000381165300025, title = {Studies of synergy between metal-support interfaces and selective hydrogenation of HMF to DMF in water}, journal = {Journal of Catalysis}, volume = {340}, year = {2016}, month = {AUG}, pages = {248-260}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

Metal-support interfaces play a very important role in heterogeneous catalysis. The interfacial interactions not only are responsible for stabilizing the necessary oxidation state to facilitate the reaction but also enhance the stability of the catalyst system. Nano dispersion of Ni on mesoporous nitrogen-rich carbon material has been achieved using two different synthesis methods. It was observed that nickel (0) gets stabilized by strong interfacial interaction with the nitrogen atoms of the support material, and the material was found to be very economic and efficient for the conversion of HMF to DMF in aqueous medium. The material shows \>= 99\% conversion to 5-(hydroxymethyl) furfural (HMF) within 6 h of reaction with 98.7\% DMF selectivity. A unique correlation between synthesis methods and particle sizes with catalytic performance has been observed for these newly developed materials. Furthermore, a DFT calculation has been performed to predict the reaction mechanism. (C) 2016 Elsevier Inc. All rights reserved.

}, keywords = {biofuels, Biomass, Hydrogenation, mesoporous carbon, Ni-CNx}, issn = {0021-9517}, doi = {10.1016/j.jcat.2016.05.012}, author = {Goyal, Reena and Sarkar, Bipul and Bag, Arijit and Siddiqui, Nazia and Dumbre, Deepa K. and Lucas, Nishita and Bhargava, Suresh Kumar and Bordoloi, Ankur} } @article { ISI:000380167200011, title = {Studies on the static and dynamic properties of different types of polyester industrial yarns}, journal = {Journal of the Textile Institute}, volume = {107}, number = {9}, year = {2016}, month = {OCT}, pages = {1175-1184}, publisher = {TAYLOR \& FRANCIS LTD}, address = {2-4 PARK SQUARE, MILTON PARK, ABINGDON OR14 4RN, OXON, ENGLAND}, abstract = {

Four major types of polyester industrial yarns, viz. high tenacity (HT), high modulus low shrinkage (HMLS), low shrinkage (LS) and super low shrinkage (SLS) polyester yarns, were studied for their static and dynamic properties. An attempt has been made to establish a linkage between static and dynamic properties of these yarns with its structure and with its end applications. HMLS and HT polyester yarns have lower tan delta and work loss, which are the desired characteristics required for its end applications which include tire and conveyer belt. Higher overall orientation and higher fraction of tie molecules helped to achieve these properties in HT and HMLS polyester yarns. LS and SLS polyester yarns are mostly used for static applications. Low thermal shrinkage is the key requirement for the downstream processes of these yarns. Lower amorphous orientation in these two yarns is primarily responsible for achieving very low thermal shrinkage. A good co-relation has been established between the peak temperature of work loss (in slow speed hysteresis test) and the peak temperature of tan delta (in high-speed dynamic test).

}, keywords = {creep, modulus, polyester, shrinkage, tan delta, work loss}, issn = {0040-5000}, doi = {10.1080/00405000.2015.1097087}, author = {Samui, Barun Kumar and Dasgupta, Saikat and Mukhopadhyay, R. and Ramesh, C. and Chakrabarty, Debabrata} } @article { ISI:000369537900099, title = {Sunlight assisted degradation of dye molecules and reduction of toxic Cr(VI) in aqueous medium using magnetically recoverable Fe3O4/reduced graphene oxide nanocomposite}, journal = {RSC Advances}, volume = {6}, number = {13}, year = {2016}, month = {JAN}, pages = {11049-11063}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

In view of the significant impact of magnetically recoverable catalysts in photocatalytic applications, Fe3O4/reduced graphene oxide (rGO) nanocomposite photocatalyst was synthesized by adopting an eco-friendly solution chemistry approach and has been characterized by high resolution transmission electron microscopy (HRTEM), X-ray photoelectron spectroscopy (XPS), Raman spectroscopy and photoluminescence (PL) spectroscopy. Fe3O4/rGO nanocomposite is efficiently utilized towards photocatalytic degradation of carcinogenic and mutagenic cationic as well as anionic dye molecules namely methyl green (MG), methyl blue (MB) and rhodamine B (RhB) under direct sunlight irradiation. The Fe3O4/rGO nanocomposite also demonstrated excellent photocatalytic reduction of aqueous Cr(VI) solution to nontoxic aqueous Cr(III) solution of more than 96\% within 25 min under sunlight irradiation. Moreover, reusability of the magnetically recovered photocatalyst was studied efficiently up to 10 cycles in the degradation process. The catalyst was also characterized after the degradation of the dye molecule and the particle size of the Fe3O4 nanoparticles on the rGO sheets remained unchanged. The present investigation focuses on the importance of the use of Fe3O4/rGO nanocomposite towards photocatalytic degradation of waste water containing organic dye pollutants and toxic Cr(VI), as an easily recoverable and reusable photocatalyst with potential for many environmental remediation applications.

}, issn = {2046-2069}, doi = {10.1039/c5ra25035h}, author = {Boruah, Purna K. and Borthakur, Priyakshree and Darabdhara, Gitashree and Kamaja, Chaitanya Krishna and Karbhal, Indrapal and Shelke, Manjusha V. and Phukan, Pallabi and Saikia, Dulen and Das, Manash R.} } @article { ISI:000375810400037, title = {Supramolecular metallogel that imparts self-healing properties to other gel networks}, journal = {Chemistry of Materials}, volume = {28}, number = {9}, year = {2016}, month = {MAY}, pages = {3210-3217}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A unique proton conductive and moldable supramolecular metallogel (CuA-Ox-gel) made upon mixing at room temperature well-defined stock solutions of Cu(OAc)(2). H2O and oxalic acid dehydrate was found to have self-healing properties. Remarkably, the system also displayed an unprecedented ability to impart self-healing properties to other gel networks lacking this capacity. A self-healed CuA-Ox metallogel was found to have essentially the same nanofibrillar morphology, thermal stability, rheological properties, and conductivity as the freshly prepared sample. The discovery also allowed the fabrication of self-healing conductive composites containing conductive carbonaceous materials. Overall, this work serves as a proof of concept for the transfer of self-healing properties between completely different gel networks.

}, issn = {0897-4756}, doi = {10.1021/acs.chemmater.6b01144}, author = {Feldner, Tobias and Haering, Marleen and Saha, Subhadeep and Esquena, Jordi and Banerjee, Rahul and Diaz, David Diaz} } @article {43404, title = {Surface chemical bonds, surface-enhanced Raman scattering, and dielectric constant of SiO2 nanospheres in-situ decorated with Ag-nanoparticles by electron-irradiation}, journal = {Journal of Applied Physics}, volume = {120}, year = {2016}, month = {DEC}, pages = {Article Number: 234901}, abstract = {Nanostructures of dielectric materials decorated with metal nanoparticles are of great scientific interest; however, the involved synthesis methods are complicated and require multistep chemical processing, including functionalization of the dielectric surfaces. In the present work, without chemical processes, silver nanoparticles of average sizes in the range of 11 to 15 nm were in-situ synthesized and decorated on SiO2 nanospheres in a single step process by irradiating a solution (AgNO3-polyvinylpyrrolidone (PVP)-SiO2 nanospheres) with 6 MeV electrons at 1.5 x 10(15) e(-)/cm(2), 3.0 x 10(15) e(-)/cm(2), and 4.5 x 10(15) e(-)/cm(2) fluences. The electron irradiated solutions were characterized with different surface and other techniques. The results revealed that the SiO2 nanospheres were uniformly decorated with Ag nanoparticles, and the prominent chemical bonds involved were Ag-O, Si-O-Ag, and Si-Ag. Moreover, the sizes and the decoration density of Ag nanoparticles could be tailored by varying electron fluence. The Surface-enhanced Raman scattering (SERS) of 4-aminothiophenol (4-ATP) solutions was studied using substrates in the form of thin coatings of the solutions of Ag-decorated SiO2 nanospheres. The appearance of the characteristic SERS peaks of both 4-ATP and 4, 4{\textquoteright}-dimercaptoazobenzene (4, 4{\textquoteright}-DMAB) in Raman spectra confirmed the conversion of a fraction of 4-ATP into 4, 4{\textquoteright}-DMAB in the presence of Ag nanoparticles. Composites in the form of thin films were synthesized from the mixture solutions of PVP and Ag-decorated SiO2 nanospheres. The dielectric constant of each thin film was higher as compared to polymers, and could be tailored by varying electron fluence used for decorating Ag nanoparticles. Published by AIP Publishing.}, doi = {10.1063/1.4971866}, author = {Phatangare, A. B. and Dhole, S. D. and Dahiwale, S. S. and Mathe, V. L. and Bhoraskar, S. V. and Late, Dattatray J. and Bhoraskar, V. N.} } @article { ISI:000375270600080, title = {Surface modification of aligned CdO nanosheets and their enhanced field emission properties}, journal = {RSC Advances}, volume = {6}, number = {47}, year = {2016}, month = {APR}, pages = {41261-41267}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Porous aligned CdO nanosheets were grown on a cadmium (Cd) substrate by the simple and cost effective method of thermal annealing. Further, decoration of gold (Au) nanoparticles on the porous aligned CdO nanosheets (specimen A) was achieved by coating with a Au thin film and subsequent annealing treatment. The average diameters of decorated Au nanoparticles were found to be 15 nm, 21 nm and 28 nm for the Au thin films with 20 s, 40 s and 60 s (specimens B, C, and D) coating times. Detailed characterizations, such as structural and morphological analysis of porous CdO nanosheets and Au/CdO nanocomposite (Au decorated porous CdO nanosheets), have been carried out using a Field Emission Scanning Electron Microscope (FESEM), X-ray diffraction (XRD) and a Transmission Electron Microscope (TEM). Field emission studies of specimens A, B, C and D were carried out in the planar diode configuration. Turn-on fields of 1.9 V mu m(-1), 1.1 V mu m(-1), 2.4 V mu m(-1) and 2.8 V mu m(-1) have been found for the emission current density of 10 RA cm(-2) for specimens A, B, C and D, respectively. The observed low turn -on field of specimen B (Au diameter of 15 nm) was found to be superior to other semiconducting nanostructures reported in the literature. The field emission current stability over a period of 3 h at the preset current density of 1 RA cm(-2) is found to be excellent for all specimens. To the best of our knowledge, field emission studies along with surface modification of porous aligned CdO nanosheets have not been reported in the literature. The simple synthesis route, facile surface modification and the superior field emission results make the present emitter very suitable for micro/nano electronic devices.

}, issn = {2046-2069}, doi = {10.1039/c5ra28000a}, author = {Bagal, Vivekanand S. and Patil, Girish P. and Deore, Amol B. and Suryawanshi, Sachin R. and Late, Dattatray J. and More, Mahendra A. and Chavan, Padmakar G.} } @article {43426, title = {Switch-on NIR probe for specific detection of Hg2+ ion in aqueous medium and in mitochondria}, journal = {Inorganic Chemistry}, volume = {55}, year = {2016}, month = {NOV}, pages = {12052-12060}, abstract = {A new 4,4-difluoro-4-bora-3a,4a-diaza-s-indacene (BODIPY)-based probe molecule (L) is synthesized for specific binding to Hg2+ ion in physiological condition with an associated luminescence ON response in the near-IR region of the spectrum. Appropriate functionalization in the 5-position of each of two pyrrole moieties with styryl functionality in a BODIPY core helped us in achieving the extended conjugation and a facile intramolecular charge transfer transition with a narrow energy gap for frontier orbitals. This accounted for a poor emission quantum yield for the probe molecule L. Binding to. Hg2+ helped in interrupting the facile intramolecular charge transfer (ICT) process that was initially operational for L. This resulted in a hypsochromic shift of absorption band and a turn-on luminescence response with lambda(Em)(max) of 650 nm on specific binding to Hg2+. Observed spectral changes are rationalized based on quantum chemical calculations. Interestingly, this reagent is found to be localized preferentially in the mitochondria of the live human colon cancer (Hct116) cells. Mitochondria is one of the major targets for localization of He2+, which actually decreases the mitochondrial membrane potential and modifies various proteins having sulfudryl functionality(ies) to cause cell apoptosis. Considering these, ability of the present reagent to specifically recognize Hg2+] in the mitochondrial region of the live Hct116 cells has significance.}, doi = {10.1021/acs.inorgchem.6b02233}, author = {Agarwalla, Hrideshg and Mahajan, Pankaj S. and Sahu, Debashis and Taye, Nandaraj and Ganguly, Bishwajit and Mhaske, Santosh B. and Chattopadhyay, Samit and Das, Amitava} } @article { ISI:000380574100052, title = {Synthesis and antitubercular activity of new 1,3,4-oxadiazoles bearing pyridyl and thiazolyl scaffolds}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {26}, number = {15}, year = {2016}, month = {AUG}, pages = {3646-3651}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

In search of more potent and safe new antitubercular agents, here new 2-pyridinyl substituted thiazolyl-5-aryl-1,3,4-oxadiazoles (6a-o), have been designed and synthesized using thionicotinamide as a starting, following novel multistep synthetic route. An intermediate, pyridinyl substituted thiazolyl acid hydrazide (4) when condensed with benzoic acids/nicotinic acids (5a-o) in the presence of silica supported POCl3 yielded better to excellent yields of the title compounds. All the synthesized compounds (6a-o) and intermediate acid hydrazide (4) have been screened for their in vitro antitubercular activity against Mycobacterium tuberculosis H37Ra (MTB) and Mycobacterium bovis BCG. Amongst them, 6f, 6j, 6l and 6o have revealed promising activity against M. bovis BCG at concentrations less than 3 mu g/mL. These compounds have shown low cytotoxicity (CC50: \> 100 mu g/mL) towards four human cancer cell lines. Molecular docking study has also been performed against mycobacterial enoyl reductase (InhA) enzyme to gain an insight into the binding modes of these molecules and recorded good binding affinity. The ADME properties the title products have also been analyzed. (C) 2016 Elsevier Ltd. All rights reserved.

}, keywords = {1, 3, 4-Oxadiazole, Antitubercular activity, Cytotoxicity, Molecular docking, Pyridine, Thiazole}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2016.05.093}, author = {Dhumal, Sambhaji T. and Deshmukh, Amarsinh R. and Bhosle, Manisha R. and Khedkar, Vijay M. and Nawale, Laxman U. and Sarkar, Dhiman and Mane, Ramrao A.} } @article { ISI:000367915800019, title = {Synthesis and characterization of well-defined random and block copolymers of epsilon-caprolactone with l-lactide as an additive for toughening polylactide: Influence of the molecular architecture}, journal = {Journal of Applied Polymer Science}, volume = {133}, number = {14}, year = {2016}, month = {APR}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Well-defined multiarmed star random and block copolymers of epsilon-caprolactone with l-lactide with controlled molecular weights, low polydispersities, and precise numbers of arms were synthesized by the ring-opening polymerization of respective cyclic ester monomers. The polymers were characterized by H-1-NMR and C-13-NMR to determine their chemical composition, molecular structure, degree of randomness, and proof of block copolymer formation. Gel permeation chromatography was used to establish the degree of branching. Star-branched random copolymers exhibited lower glass-transition temperatures (T-g{\textquoteright}s) compared to a linear random copolymer. When the star random copolymers were melt-blended with poly(l-lactic acid) (PLA), we observed that the elongation of the blend increased with the number of arms of the copolymer. Six-armed block copolymers, which exhibited higher T-g{\textquoteright}s, caused the maximum improvement in elongation. In all cases, improvements in the elongation were achieved with no loss of stiffness in the PLA blends. (c) 2015 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2016, 133, 43267.

}, keywords = {biodegradable, copolymers, differential scanning calorimetry, mechanical properties, ring-opening polymerization}, issn = {0021-8995}, doi = {10.1002/app.43267}, author = {Deokar, Megha D. and Idage, Susheela B. and Idage, Bhaskar B. and Sivaram, Swaminathan} } @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:000371344600027, title = {Synthesis, biological evaluation and molecular docking study of some novel indole and pyridine based 1,3,4-oxadiazole derivatives as potential antitubercular agents}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {26}, number = {7}, year = {2016}, month = {APR }, pages = {1776-1783}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

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

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

}, keywords = {1, 3, 4-Oxadiazole, Antimicrobial activity, Cytotoxicity, Pyrazole, Pyridine, QSAR}, issn = {1054-2523}, doi = {10.1007/s00044-016-1511-4}, author = {Desai, N. C. and Kotadiya, G. M. and Trivedi, A. R. and Khedkar, Vijay M. and Jha, Prakash C.} } @article { ISI:000374810700032, title = {Synthesis of novel Cu2S nanohusks as high performance counter electrode for CdS/CdSe sensitized solar cell}, journal = {Journal of Power Sources}, volume = {315}, year = {2016}, month = {MAY}, pages = {277-283}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

An important component of quantum dot sensitized solar cells (QDSSC) is the counter electrode which mediates the regeneration of oxidized quantum dots by reducing the polysulphide electrolyte. However, design and synthesis of an efficient counter electrode material is a challenging task. Herein, we report the synthesis of a unique Cu2S nanohusks directly on FTO coated glass substrates by electrodeposition and used as a counter electrode in QDSSC. When these electrodes are used for the reduction of polysulfide electrolyte in QDSSC, they exhibit higher catalytic activity and photovoltaic performance as compared to the Platinum counter electrode. The power conversion efficiency of about 4.68\% has been achieved by optimizing the deposition time of Cu2S. (C) 2016 Elsevier B.V. All rights reserved.

}, keywords = {counter electrode, Cu2S electrodeposition, Cu2S nanohusks, Quantum dot-sensitized solar cell}, issn = {0378-7753}, doi = {10.1016/j.jpowsour.2016.03.027}, author = {Kamaja, Chaitanya Krishna and Devarapalli, Rami Reddy and Dave, Yasha and Debgupta, Joyashish and Shelke, Manjusha V.} } @article {43417, title = {Synthesis of polyhydroxylated conidine alkaloid as a conformationally restricted azasugar}, journal = {Synlett}, volume = {27}, year = {2016}, month = {DEC}, pages = {2799-2802}, abstract = {A conformationally restricted polyhydroxylated 1-azabicyclo[4.2.0]octane core has been synthesized in search for a potent selective glycosidase inhibitor. The key feature of the synthesis involves the high stereoselective photoelectron-transfer-promoted cyclization of the strained alpha-trimethylsilylmethylazetidine moiety to the tethered pi functionality.}, doi = {10.1055/s-0036-1588312}, author = {Pal, Sujit and Dumbre, Shrinivas G.} } @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 {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 {43587, title = {Template-free sol-gel synthesis of high surface area mesoporous silica based catalysts for esterification of di-carboxylic acids}, journal = {Comptes Rendus Chimie}, volume = {19}, year = {2016}, month = {OCT}, pages = {1247-1253}, abstract = {High surface area mesoporous silica based catalysts have been prepared by a simple hydrolysis/sol-gel process without using any organic template and hydrothermal treatment. A controlled hydrolysis of ethyl silicate-40, an industrial bulk chemical, as a silica precursor, resulted in the formation of very high surface area (719 m(2)/g) mesoporous (pore size 67 angstrom and pore volume 1.19 cc/g) silica. The formation of mesoporous silica has been correlated with the polymeric nature of the ethyl silicate-40 silica precursor which on hydrolysis and further condensation forms long chain silica species which hinders the formation of a close condensed structure thus creating larger pores resulting in the formation of high surface mesoporous silica. Ethyl silicate-40 was used further for preparing a solid acid catalyst by supporting molybdenum oxide nanoparticles on mesoporous silica by a simple hydrolysis sol gel synthesis procedure. The catalysts showed very high acidity as determined by NH3-TPD with the presence of Lewis as well as Brensted acidity. These catalysts showed very high catalytic activity for esterification: a typical acid catalyzed organic transformation of various mono- and di-carboxylic acids with a range of alcohols. The in situ formed silicomolybdic acid heteropoly-anion species during the catalytic reactions were found to be catalytically active species for these reactions. Ethyl silicate-40, an industrial bulk silica precursor, has shown a good potential for its use as a silica precursor for the preparation of mesoporous silica based heterogeneous catalysts on a larger scale at a lower cost. (C) 2016 Published by Elsevier Masson SAS on behalf of Academie des sciences.}, doi = {10.1016/j.crci.2016.02.001}, author = {More, Pavan M. and Umbarkar, Shubhangi B. and Dongare, Mohan K.} } @article { ISI:000371948100113, title = {TiO2 modification by gold (Au) for photocatalytic hydrogen (H-2) production}, journal = {Renewable \& Sustainable Energy Reviews}, volume = {58}, year = {2016}, month = {MAY}, pages = {1366-1375}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

TiO2 is indeed one of the widely used semiconductors employed for photocatalytic hydrogen production. Most of its photocatalytic activity-is achieved in its crystalline form. However, its photocatalytic activity is limited to ultraviolet region. For making TiO2 visible light active; Au deposition is strongly recommended due to its surface plasmon feature. Au deposition enhances the photocatalytic activity of both crystalline and nanocrystalline TiO2. Efficiency of photocatalytic activity is controlled by shape and size of Au nanoparticle subsequently the synthetic methodology plays an important role. Herein, we furnish a brief description of TiO2-Au nanocomposite synthesis by different methods viz. sol-gel, photodeposition, deposition-precipitation simple reducing method and dispersion method. A discussion on physical properties of the resultant material is also provided. Three different types of mechanism has been described depending on the type of irradiation and form of TiO2 (crystalline and nanocrytalline). A comparative hydrogen production yield is also tabulated to get an idea about the best synthesis methodology and form of TiO2 for efficient photocatalysis. (C) 2016 Elsevier Ltd. All rights reserved.

}, keywords = {Gold nanoparticle, Hydrogen generation, Nanocomposite, Photocatalysis, TiO2}, issn = {1364-0321}, doi = {10.1016/j.rser.2015.12.236}, author = {Gupta, Bhavana and Melvin, Ambrose A. and Matthews, Tom and Dash, Sitaram and Tyagi, A. K.} } @article { ISI:000375969000054, title = {Transition metal doped aluminum clusters: an account of spin}, journal = {Journal of Physical Chemistry C}, volume = {120}, number = {18}, year = {2016}, month = {MAY}, pages = {10027-10040}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The influence of spin on the properties of small sized transition metal doped aluminum clusters are investigated in the framework of density functional theory (DFT). Detailed analysis on minimum spin doped aluminum clusters has shown prominent indication of odd even oscillation in various calculated properties, supporting the presence of jellium shell structures within them. However, optimized high spin ground state counterparts, on the other hand, show rather smooth trends consistent with the properties of bulk materials. Resemblance to the bulk transition metals is further reflected in the gradual declining trends of heat of adsorption of CO2 molecule on cluster surface by sequentially changing the dopant atom from scandium to zinc. All the observations are also compared and found to be consistent with the earlier theoretical and experimental findings as obtained in the current literature. The similarities in the properties between atomic clusters and the bulk material is of utter importance and indeed precious considering the promising influence of the acquired information in understanding the process of evolution of nanoparticles from constituent atoms.

}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.6b00510}, author = {Sengupta, Turbasu and Das, Susanta and Pal, Sourav} } @article { ISI:000369875900008, title = {Tunable nanocarrier morphologies from glycopolypeptide-based amphiphilic biocompatible star copolymers and their carbohydrate specific intracellular delivery}, journal = {Biomacromolecules}, volume = {17}, number = {2}, year = {2016}, month = {FEB}, pages = {466-475}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Nanocarriers with carbohydrates on the surface represent a very interesting class of drug-delivery vehicles because carbohydrates are involved in biomolecular recognition events in vivo. We have synthesized biocompatible miktoarm star copolymers comprising glycopolypeptide and poly(e-caprolactone) chains using ring-opening polymerization and {\textquoteleft}{\textquoteleft}click chemistry{\textquoteright}{\textquoteright}. The amphiphilic copolymers were self-assembled in water into morphologies such as nanorods, polymersomes, and micelles with carbohydrates displayed on the surface. We demonstrate that the formation of nanostructure could be tuned by chain length of the blocks and was not affected by the type of sugar residue. These nanostructures were characterized in detail using a variety of techniques such as TEM, AFM, cryogenic electron microscopy, spectrally resolved fluorescence imaging, and dye encapsulation techniques. We show that it is possible to sequester both hydrophobic as well as hydrophilic dyes within the nanostructures. Finally, we show that these noncytotoxic mannosylated rods and polymersomes were selectively and efficiently taken up by MDA-MB-231 breast cancer cells, demonstrating their potential as nanocarriers for drug delivery.

}, issn = {1525-7797}, doi = {10.1021/acs.biomac.5b01354}, author = {Pati, Debasis and Das, Soumen and Patil, Naganath G. and Parekh, Nimisha and Anjum, Dalaver H. and Dhaware, Vinita and Ambade, Ashootosh V. and Sen Gupta, Sayam} } @article { ISI:000369212900018, title = {Tuning emission responses of a triphenylamine derivative in host-guest complexes and an unusual dynamic inclusion phenomenon}, journal = {Journal of Organic Chemistry}, volume = {81}, number = {2}, year = {2016}, month = {JAN}, pages = {512-521}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A newly synthesized triphenylamine derivative (1Cl(3)) shows significant differences in inclusion complex formation with two different macrocyclic hosts, cucurbit[7]uril (CB[7]) and beta-cyclodextrin (beta-CD). Detailed investigations by NMR spectroscopy reveal that CB[7] forms a 1:3 host-guest complex ([1 center dot 3{CB[7]}]Cl-3) in which three arms of 1Cl(3) are bound to three host molecules. On the other hand, beta-CD forms a dynamic 1:1 inclusion complex ([1 center dot{beta-CD}]Cl-3) by binding to only one of the three arms of 1Cl(3) at a given time. The formation of a 1:1 host-guest complex with beta-CD and 1:3 host-guest complex with CB[7] was also confirmed from the results of the isothermal titration calorimetric studies. Interestingly, 1Cl(3) exhibits a rare dual emission property in solution at room temperature with the lower and higher energy bands arising from a locally excited state and an intramolecular charge-transfer transition, respectively. The difference in inclusion complex formation behavior of 1Cl(3) with the two macrocyclic hosts results in the stabilization of different emission states in the two inclusion complexes. The fundamental difference in the electrostatic surface potentials, cavity polarities, and shapes of the two macrocyclic hosts could account for the formation of the different inclusion complexes with distinct luminescence responses.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.5b02353}, author = {Gangopadhyay, Monalisa and Mandal, Amal K. and Maity, Arunava and Ravindranathan, Sapna and Rajamohanan, Pattuparambil R. and Das, Amitava} } @article { ISI:000375739900014, title = {Two-layer spin coating flow of newtonian liquids: a computational study}, journal = {Computers \& Fluids}, volume = {131}, year = {2016}, month = {JUN}, pages = {180-189}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Spin coating is the most commonly used method in industries to form coating films of desired thickness and functionality. In case of two-layer spin coating process, stratified layers of two immiscible liquids are deposited onto the substrate simultaneously, which spread and thin to form two-layer coating film of finite thickness. Questions concerning the effect of surface/interfacial tension on uniformity of these films and contact line evolution are relevant and need thorough investigation. Therefore, an axisymmetric model governing the flow of two-layer spin coating process is developed here. Liquids used for the study are assumed to be Newtonian and fully wetting. The contact line singularity is resolved using a precursor layer model and the governing equations are simplified using lubrication approximation. A Galerkin finite-element method (G/FEM) based scheme is developed to solve the resulting fourth order non-linear PDEs. Simulation results reveal that the fluid properties like ratio of the viscosity of upper layer fluid to lower layer and ratio of the upper gas-liquid surface tension to inner liquid-liquid interfacial tension have profound impact on the time evolution of the film profile, contact radius and shape of the capillary ridges. It is observed that a uniform two-layer film surrounded by thin single layer film is formed when the viscosity ratio is small. On the contrary, when viscosity ratio is large, a thin two-layer film surrounded by bulky capillary ridges is formed. Similarly, the results also show that sharpness of capillary ridge increases with decrease in the surface tension ratio. Further, it is found that increase in the precursor layer thickness increases the spreading rate, thereby making the film more uniform. Finally, the uniformity of the final two-layer film does not get affected by the initial volume of fluid present in the upper layer. (C) 2016 Elsevier Ltd. All rights reserved.

}, keywords = {Axisymmetric flow, Mathematical modeling, Multi-layer coating, Precursor layer model, Thin-film flow, Two-layer spin coating}, issn = {0045-7930}, doi = {10.1016/j.compfluid.2016.03.016}, author = {Sahoo, Subhadarshinee and Arora, Akash and Doshi, Pankaj} } @article {43608, title = {Ultrahydrophobic fluorous metal-organic framework derived recyclable composite as apromising platform to tackle marine oil spills}, journal = {Chemistry-A European Journal}, volume = {22}, year = {2016}, month = {JUL}, pages = {10937-10943}, abstract = {Derived from a strategically chosen hexafluorinated dicarboxylate linker aimed at the designed synthesis of a superhydrophobic metal-organic framework (MOF), the fluorine-rich nanospace of a water-stable MOF (UHMOF-100) exhibits excellent water-repellent features. It registered the highest water contact angle (approximate to 176 degrees) in the MOF domain, marking the first example of an ultrahydrophobic MOF. Various experimental and theoretical studies reinforce its distinc-tive water-repellent characteristics, and the conjugation of superoleophilicity and unparalleled hydrophobicity of a MOF material has been coherently exploited to achieve real-time oil/water separation in recyclable membrane form, with significant absorption capacity performance. This is also the first report of an oil/water separating fluorinated ultrahydrophobic MOF-based membrane material, with potential promise for tackling marine oil spillages.}, doi = {10.1002/chem.201601724}, author = {Mukherjee, Soumya and Kansara, Ankit M. and Saha, Debasis and Gonnade, Rajesh and Mullangi, Dinesh and Manna, Biplab and Desai, Aamod V. and Thorat, Shridhar H. and Singh, Puyam S. and Mukherjee, Arnab and Ghosh, Sujit K.} } @article {45640, title = {Understanding endothelial dysfunction in diabetic cardiovascular complications using mass spectrometry-based proteomics}, journal = {Heart}, volume = {102}, year = {2016}, month = {OCT}, pages = {A16-A17}, type = {Article}, issn = {1355-6037}, doi = {10.1136/heartjnl-2016-310696.51}, author = {Banarjee, Reema and Sharma, Akshay and Bai, Shakuntala and Deshmukh, Arati and Kazi, Rubina and Kulkarni, Mahesh J.} } @article { ISI:000381436500019, title = {Understanding the electron transfer process in ZnO-naphthol azobenzoic acid composites from photophysical characterisation}, journal = {Physical Chemistry Chemical Physics}, volume = {18}, number = {32}, year = {2016}, month = {AUG}, pages = {22179-22187}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Semiconductor nanoparticles surface modified with organic molecules capable of visible light absorption and effectively transferring the electrons to the catalytic sites have the potential to be good photocatalysts. ZnO nanoparticles of size similar to 3 nm are grafted with two azonaphthols, one conjugated and the other non-conjugated. The photophysical properties of modified ZnO indicate an effective electron transfer from the conjugated azonaphthol to ZnO but not in the case of the non-conjugated molecule. It is also observed from lifetime studies that the conjugated molecule stabilises the defect sites on ZnO nanoparticles. It is possible that excited electrons from the conjugated molecule are transferred to specific defect sites in ZnO. This apparently does not occur in the non-conjugated molecule, bringing to focus the importance of the photophysical characteristics of organic modifiers in designing visible light active photocatalysts.

}, issn = {1463-9076}, doi = {10.1039/c6cp02908f}, author = {George, Leena and Kunhikannan, Athira K. and Illathvalappil, Rajith and Ottoor, Divya and Kurungot, Sreekumar and Devi, R. Nandini} } @article {45651, title = {Urinary proteome alterations in HER2 enriched breast cancer revealed by multipronged quantitative proteomics}, journal = {Proteomics}, volume = {16}, year = {2016}, month = {SEP}, pages = {2403-2418}, type = {Article}, abstract = {

Globally, breast cancer is the second most common cancer among women. Although biomarker discoveries through various proteomic approaches of tissue and serum samples have been studied in breast cancer, urinary proteome alterations in breast cancer are least studied. Urine being a noninvasive biofluid and a significant source of proteins, it has the potential in early diagnosis of breast cancer. This study used complementary quantitative gel-based and gel-free proteomic approaches to find a panel of urinary protein markers that could discriminate HER2 enriched (HE) subtype breast cancer from the healthy controls. A total of 183 differentially expressed proteins were identified using three complementary approaches, namely 2D-DIGE, iTRAQ, and sequential window acquisition of all theoretical mass spectra. The differentially expressed proteins were subjected to various bioinformatics analyses for deciphering the biological context of these proteins using protein analysis through evolutionary relationships, database for annotation, visualization and integrated discovery, and STRING. Multivariate statistical analysis was undertaken to identify the set of most significant proteins, which could discriminate HE breast cancer from healthy controls. Immunoblotting and MRM-based validation in a separate cohort testified a panel of 21 proteins such as zinc-alpha2-glycoprotein, A2GL, retinol-binding protein 4, annexin A1, SAP3, SRC8, gelsolin, kininogen 1, CO9, clusterin, ceruloplasmin, and alpha 1-antitrypsin could be a panel of candidate markers that could discriminate HE breast cancer from healthy controls.

}, keywords = {2D-DIGE, Biomedicine, Breast cancer, HER2 enriched, SWATH, Urinary biomarkers}, issn = {1615-9853}, doi = {10.1002/pmic.201600015}, author = {Gajbhiye, Akshada and Dabhi, Raju and Taunk, Khushman and Vannuruswamy, Garikapati and RoyChoudhury, Sourav and Adhav, Ragini and Seal, Shubhendu and Mane, Anupama and Bayatigeri, Santhakumari and Santra, Manas K. and Chaudhury, Koel and Rapole, Srikanth} } @article {42628, title = {Use of the term "crystal engineering" in the regulatory and patent literature of pharmaceutical solid forms. some comments}, journal = {Crystal Growth \& Design}, volume = {16}, year = {2016}, month = {AUG}, pages = {5585-5587}, doi = {10.1021/acs.cgd.6b01070}, author = {Desiraju, Gautam R. and Nangia, Ashwini} } @article {45831, title = {Valorization of coffee bean waste: a coffee bean waste derived multifunctional catalyst for photocatalytic hydrogen production and electrocatalytic oxygen reduction reactions}, journal = {RSC Advances}, volume = {6}, year = {2016}, month = {AUG}, pages = {82103-82111}, type = {Article}, abstract = {

Here, we report the valorization of coffee bean waste (CBW) by producing nitrogen doped porous carbon (p-Cof) having both photocatalytic and electrocatalytic properties using a silica templating method. Morphological investigation of p-Cof reveals the presence of assemblies of highly porous flat carbon blocks. p-Cof exhibits a high surface area (1213 m(2) g(-1)) and a wide range of micro-and mesopores with good electrical conductivity. Along with this, the surface of p-Cof displays the presence of graphitic and pyridone-type nitrogen coordinations, which help p-Cof to perform as a multifunctional catalyst as revealed from its catalytic activities towards photocatalytic hydrogen production (PHP) and electrocatalytic oxygen reduction reactions. p-Cof produces 334 mu mol h(-1) g(-1) of hydrogen from water under visible light and 575 mmol h(-1) g(-1) of hydrogen under solar light irradiation with excellent stability. Along with this, p-Cof also displays improved oxygen reduction reaction (ORR) activity in alkaline medium. A better onset potential (0.91 V vs. RHE) and half-wave potential (0.75 V vs. RHE) are displayed by p-Cof compared to the catalyst derived from the simple annealing of CBW without employing the silica template. Along with the better electrochemical activity, p-Cof shows excellent ORR kinetics and electrochemical stability compared to the current state-of-the-art Pt/C.

}, issn = {2046-2069}, doi = {10.1039/c6ra14907c}, author = {Unni, SreeKuttan M. and George, Leena and Bhange, Siddheshwar N. and Devi, R. Nandini and Kurungot, Sreekumar} } @article { ISI:000374873100022, title = {Various types of separation membranes}, journal = {Current Science}, volume = {110}, number = {8}, year = {2016}, month = {APR}, pages = {1426-1438}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

Membrane-based separation is a superior alternative to conventional processes in many separation problems of practical importance. For maximum effectiveness, both high selectivity and flux are desirable. This article summarizes the global efforts at designing new membrane materials, particularly carbon nanotube (CNT)-based membranes, to achieve the twin objectives mentioned above. Interest in CNT emanates from the excellent transport property of molecules through its frictionless smooth walls, with/without functionalization at the end tips. Permeation of water through graphene oxide (GO) channels, which are otherwise impermeable to solutes, has also generated considerable interest, and GO is being viewed as a promising material for separations. The performances of conducting polymers like polypyrrole, polyaniline, polythiophene-3, 4-ethylenedioxythiophene and their different composites have been studied as a function of changes in morphology and redox behaviour, and this aspect too is covered in the present article. Also, the dependence of the separation performances based on the size, charge and hydrophobic/hydrophilic properties has been discussed in detail. Advances in understanding will have an important bearing on future developments in separation science.

}, keywords = {carbon nanotube, conducting polymers, flux, graphene oxide, permeability, separation membranes}, issn = {0011-3891}, author = {Das, Debasree and Datta, Anindya and Contractor, Aliasgar Qutub} } @article { ISI:000369482900030, title = {Venkataraman Jagannathan (1921-2015)}, journal = {Current Science}, volume = {110}, number = {2}, year = {2016}, month = {JAN}, pages = {263}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, issn = {0011-3891}, author = {Deshpande, Mukund V.} } @article { ISI:000371419200030, title = {Versatile Cu-II metal-organic framework exhibiting high gas storage capacity with selectivity for CO2: conversion of CO2 to cyclic carbonate and other catalytic abilities}, journal = {Chemistry-A European Journal}, volume = {22}, number = {10}, year = {2016}, month = {MAR}, pages = {3387-3396}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {

A linear tetracarboxylic acid ligand, H4L, with a pendent amine moiety solvothermally forms two isostructural metal-organic frameworks (MOFs) L-M (M=Zn-II, Cu-II). Framework L-Cu can also be obtained from L-Zn by post- synthetic metathesis without losing crystallinity. Compared with L-Zn, the L-Cu framework exhibits high thermal stability and allows removal of guest solvent and metal-bound water molecules to afford the highly porous, L-Cu. At 77K, L-Cu absorbs 2.57wt\% of H-2 at 1bar, which increases significantly to 4.67wt\% at 36bar. The framework absorbs substantially high amounts of methane (238.38cm(3)g(-1), 17.03wt\%) at 303K and 60bar. The CH4 absorption at 303K gives a total volumetric capacity of 166cm(3)(STP)cm(-3) at 35bar (223.25cm(3)g(-1), 15.95wt\%). Interestingly, the NH2 groups in the linker, which decorate the channel surface, allow a remarkable 39.0wt\% of CO2 to be absorbed at 1bar and 273K, which comes within the dominion of the most famous MOFs for CO2 absorption. Also, L-Cu shows pronounced selectivity for CO2 absorption over CH4, N-2, and H-2 at 273K. The absorbed CO2 can be converted to value-added cyclic carbonates under relatively mild reaction conditions (20bar, 120 degrees C). Finally, L-Cu is found to be an excellent heterogeneous catalyst in regioselective 1,3-dipolar cycloaddition reactions (click reactions) and provides an efficient, economic route for the one-pot synthesis of structurally divergent propargylamines through three-component coupling of alkynes, amines, and aldehydes.

}, keywords = {click reactions, CO2 absorption, cyclic carbonate, heterogeneous catalysis, metal-organic frameworks}, issn = {0947-6539}, doi = {10.1002/chem.201504747}, author = {De, Dinesh and Pal, Tapan K. and Neogi, Subhadip and Senthilkumar, S. and Das, Debasree and Sen Gupta, Sayam and Bharadwaj, Parimal K.} } @article { ISI:000368032100012, title = {Vitro and in silico antifungal efficacy of nitrogen- doped carbon nanohorn ( NCNH) against rhizoctonia solani}, journal = {Journal of Biomolecular Structure \& Dynamics}, volume = {34}, number = {1}, year = {2016}, month = {JAN}, pages = {152-162}, publisher = {TAYLOR \& FRANCIS INC}, type = {Article}, address = {530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA}, abstract = {

We have investigated in vitro antifungal efficiency of nitrogen-doped carbon nanohorn (NCNH) against Rhizoctonia solani (R. solani) plant pathogenic fungi. NCNH with size of 50-60nm and concentrations of 10, 50, 100, and 150gmL(-1) were used. The results showed that growth of fungi in the presence of NCNH was significantly (p\>.05) inhibited at 150gmL(-1) (85.13 +/-.97) after 72h. The results were validated through computational approaches. Molecular docking analysis of NCNH with endochitinase protein of R. solani was performed to validate the potential of antifungal activity of NCNH. Docking results showed different conformations of interaction of NCNH with endochitinase enzyme. The conformation with least binding energy -13.54kcal/mol was considered further. It is likely that NCNH interacts with the pathogens by mechanically wrapping, which may be one of the major toxicity actions of NCNH against R. solani. The analysis showed that NCNH might interwinds to endochitinase of R. solani leading to the deactivation of the enzyme. To best of our knowledge, this is the first report of antifungal efficacy of NCNH against R. solani and provides useful information about the application of NCNH in resisting crop disease.

}, keywords = {docking, endochitinase, nitrogen-doped carbon nanohorn, Rhizoctonia solani}, issn = {0739-1102}, doi = {10.1080/07391102.2015.1018841}, author = {Dharni, Seema and Sanchita and Unni, SreeKuttan M. and Kurungot, Sreekumar and Samad, Abdul and Sharma, Ashok and Patra, Dharani Dhar} } @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 {43493, title = {Acetone and methanol fruit extracts of terminalia paniculata inhibit HIV-1 infection in vitro}, journal = {Natural Product Research}, volume = {31}, year = {2017}, month = {JAN}, pages = {1468-1471}, abstract = {In this study, we report the in vitro anti-HIV1 activity of acetone and methanol extracts of fruit of Terminalia paniculata. Cytotoxicity tests were conducted on TZM-bl cells and peripheral blood mononuclear cells (PBMC), the CC50 values of both the extracts were 260g/mL. Using TZM-bl cells, the extracts were tested for their ability to inhibit replication of two primary isolates HIV-1 (X4, Subtype D) and HIV-1 (R5, Subtype C). The activity against HIV-1 primary isolate (R5, Subtype C) was confirmed using activated PBMC and by quantification of HIV-1 p24 antigen. Both the extracts showed anti-HIV1 activity in a dose-dependent manner. The EC50 values of the acetone and methanol extracts of T. paniculata were 10.3g/mL. The enzymatic assays were performed to determine the mechanism of action which indicated that the anti-HIV1 activity might be due to inhibition of reverse transcriptase (77.7\% inhibition) and protease (69.9\% inhibition) enzymes. }, doi = {10.1080/14786419.2016.1258561}, author = {Durge, Ankita and Jadaun, Pratiksha and Wadhwani, Ashish and Chinchansure, Ashish A. and Said, Madhukar and Thulasiram, H. V. and Joshi, Swati P. and Kulkarni, Smita S.} } @article {43999, title = {Acyclic αγα-tripeptides with fluorinated- and nonfluorinated-furanoid sugar framework: importance of fluoro substituent in reverse-turn induced self-assembly and transmembrane ion-transport activity}, journal = {Journal Of Organic Chemistry}, volume = {82}, year = {2017}, month = {JUN}, chapter = {5826-5834}, abstract = {

Acyclic αγα-tripeptides derived from fluorinated-furanoid sugar amino acid frameworks act as reverse-turn inducers with a U-shaped conformation, whereas the corresponding nonfluorinated αγα-tripeptides show random peptide conformations. The NMR studies showed the presence of bifurcated weak intramolecular hydrogen bonding (F{\textperiodcentered}{\textperiodcentered}{\textperiodcentered}HN) and N+{\textperiodcentered}{\textperiodcentered}{\textperiodcentered}Fδ- charge-dipole attraction compel the amide carbonyl groups to orient antiperiplanar to the C-F bond, thus, demonstrating the role of the fluorine substituent in stabilizing the U-shaped conformation. The NOESY data indicate that the U-shaped tripeptides self-assembly formation is stabilized by the intermolecular hydrogen bonding between C=O{\textperiodcentered}{\textperiodcentered}{\textperiodcentered}HN with antiparallel orientation. This fact is supported by ESI-MS data, which showed mass peaks up to the pentameric self-assembly, even in the gas phase. The morphological analysis by FE-SEM, on solid samples, showed arrangement of fibers into nanorods. The antiparallel self-assembled pore of the fluorinated tripeptides illustrates the selective ion-transport activity. The experimental findings were supported by DFT studies.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.7b00661}, author = {Burade, S. S. and Shinde, S. V. and Bhuma, N. and Kumbhar, N. and Kotmale, A. and Rajamohanan, P. R. and Gonnade, R. G. and Talukdar, P. and Dhavale, D. D.} } @article {43534, title = {Agro-industrial wastes for production of biosurfactant by bacillus subtilis ANR 88 and its application in synthesis of silver and gold nanoparticles}, journal = {Frontiers in Microbiology}, volume = {8}, year = {2017}, month = {MAR}, pages = {Article Number: 492}, type = {MAR}, abstract = {

Biosurfactants, surface-active amphiphilic compounds, despite having a wide range of applications, have a high cost of production, which severely restricts their use. For cheaper production of biosurfactant, we investigated the potential of the indigenously isolated biosurfactant producing organism, Bacillus subtilis ANR 88, to grow on different cheap carbon sources (molasses, whey, and extracts of potato peels, orange peels, banana peels, and bagasse). We found that, B. subtilis ANR 88 used significant amounts of total sugar to produce cell biomass and biosurfactant. The biosurfactant production in minimal medium containing glucose as sole source of carbon was 0.207 g/l and the same with molasses as carbon source was 0.241 g/l. With whey as carbon source, isolate failed to produce biosurfactant. Amongst the extracts of the agro-wastes, the extracts of bagasse and orange peels gave 0.127 and 0.089 g/l of biosurfactant respectively. One-variable-at-a-time (OVAT) studies carried out to optimize the production of biosurfactant by B. subtilis ANR 88 resulted into maximum biosurfactant yield of 0.513 g/l in medium: molasses 4\%, ammonium ferric citrate 0.25\%, pH 7. Plackett-Burman design based statistical method for optimization increased the production of biosurfactant to 0.746 g/l, which is 3.6-fold of that produced on glucose. The biosurfactant produced by B. subtilis ANR 88 was analyzed by Fourier Transform Infrared Spectroscopy (FT-IR); it showed that the biosurfactant contained alkyl as well as peptide groups. The biosurfactant of B. subtilis ANR 88 was found effective in the synthesis of silver as well as gold nanoparticles in the total absence of conventional chemical reducing agents. Interestingly, nanoparticles produced were almost uniform in their size and shapes i.e., spherical silver (4-18 nm) and hexagonal gold nanoparticles (40-60 nm), as evident in TEM images.

}, doi = {10.3389/fmicb.2017.00492}, author = {Rane, Ashwini N. and Baikar, Vishakha V. and Kumar, D. V. Ravi and Deopurkar, Rajendra L.} } @article {43979, title = {Allostreptomyces indica sp. nov., isolated from India}, journal = {Journal of Antibiotics}, volume = {70}, year = {2017}, month = {OCT}, pages = {1000-1003}, type = {Journal Article}, abstract = {A novel actinobacterium, designated strain YIM 75704T, was isolated from a limestone quarry located at Gulbarga, Karnataka, India. The novel strain has showed typical morphological and chemotaxonomic characteristics of the family Streptomycetaceae. Comparison of 16S rRNA gene sequences indicated that this strain represents a novel member of the family Streptomycetaceae and exhibited 99.0\% 16S rRNA gene sequence similarities with the type species of the recently described novel genus Allostreptomyces, that is, Allostreptomyces psammosilenae, whereas other species of Streptomyces were below 95\% sequence similarity. The cell hydrolysates contained the LL-isomer of diaminopimelic acid and the predominant quinones were MK-9 (H 6, H 8 and H 4). The polar lipid profile consisted of diphosphatidylglycerol, phosphatidylinositolmannosides and three unknown phospholipids. The DNA G+C content was 75.0 mol\%. A polyphasic study of the strain with morphological, phenotypic, phylogenetic and with DNA-DNA hybridization evidence with related members showed that this strain represents novel species of Allostreptomyces for which the name Allostreptomyces indica sp. nov., is proposed. The type strain is YIM 75704 T (= DSM 41985T =CCTCC AA 209051T = NCIM 5485T).}, doi = { 10.1038/ja.2017.82}, author = {Sahu, A.K.}, editor = {Quadri, S.R} } @article {42892, title = {Ambient CO oxidation on in-situ generated Co3O4 spinel surfaces with random morphology}, journal = {ChemistrySelect}, year = {2017}, month = {JAN}, pages = {431{\textendash}432}, abstract = {

The influence of the Co3O4 morphology on its redox behavior and catalytic performance in the CO oxidation reaction is studied. Three different Co3O4 morphologies were synthesized by precipitation and hydrothermal methods. TEM and SEM observations clearly show the different obtained morphologies: rods, wires and a mixture of plates and cubes. The textural properties depend on the morphology and the redox ones on the particle size. XRD analysis reveals a spinel structure in all solids but a preferential exposition of the [110] plane is presented in the Co3O4 rods. This preferential exposition, along with its higher specific surface area provides the rods with more efficient oxygen storage capacity resulting in an excellent catalytic performance compared to the other two morphologies.

}, doi = {10.1002/slct.201602010}, author = {Dubey, Anjani and Reddy, Kasala Prabhakar and Gopinath, Chinnakonda S.} } @article {44018, title = {Ammonia-modified graphene sheets decorated with magnetic Fe3O4 nanoparticles for the photocatalytic and photo-Fenton degradation of phenolic compounds under sunlight irradiation}, journal = {Journal of hazardous materials }, volume = {325}, year = {2017}, month = {NOV}, type = {Article}, abstract = {Synthesis of easily separable and eco-friendly efficient catalyst with both photocatalytic and photo-Fenton degradation properties is of great importance for environment remediation application. Herein, ammonia-modified graphene (AG) sheets decorated with Fe3O4 nanoparticles (AG/Fe3O4) as a magnetically recoverable photocatalyst by a simple in situ solution chemistry approach. First, we have functionalized graphene oxide (GO) sheets by amide functional group and then Fe3O4 nanoparticles (NPs) are doped onto the functionalized GO surface. The AG/Fe3O4 nanocomposite showed efficient photocatalytic activity towards degradation of phenol (92.43\%), 2-nitrophenol (2-NP) (98\%) and 2-chlorophenol (2-CP) (97.15\%) within 70{\textendash}120 min. Consequently, in case of photo-Fenton degradation phenomenon, 93.56\% phenol, 98.76\% 2-NP and 98.06\% of 2-CP degradation were achieved within 50{\textendash}80 min using AG/Fe3O4 nanocomposite under sunlight irradiation. The synergistic effect between amide functionalized graphene and Fe3O4 nanoparticles (NPs) enhances the photocatalytic activity by preventing the recombination rate of electron-hole-pair in Fe3O4 NPs. Furthermore, the remarkable reusability of the AG/Fe3O4 nanocomposite was observed up to ten cycles during the photocatalytic degradation of these phenolic compounds.}, doi = {10.1016/j.jhazmat.2016.11.023}, author = {Boruah, Purna K. and Sharma, Bhagyasmeeta and Karbhal, Indrapal and Shelke, Manjusha V. and Das, Manash R.} } @article {43747, title = {Analysis of electrical and thermal conductivities of polyethersulfone-graphite based hybrid nanocomposites}, journal = {Macromolecular Research}, volume = {25}, year = {2017}, month = {APR}, pages = {311-316}, type = {Article}, abstract = {Polyethersulfone (PES)-7 wt\% graphite- x wt\% filler (carbon black (CB), carbon nanofiber (CNF), expanded graphite (ExGr)) hybrid composites are synthesized by solution blending route. The electrical percolation threshold in hybrid composites varies exponentially with the aspect ratio of the second conducting filler. The aspect ratio of the second conducting filler has been found to vary in the order CB < CNF < ExGr. The percolation threshold is identified at 0.05 wt\%, 0.4 wt\%, 1.3 wt\% for ExGr, CNF and CB added PES-7 wt\% graphite composites. Through plane thermal conductivity of PES-x wt\% graphite-y wt\% CB (x=10, 20, 30, 40, 50, 60, y=0, 3, 7) hybrid composites has been found to increase with the addition of CB. Thermal conductivity has been increased to 0.42 W/m-K when 7 wt\% CB is added to PES-60 wt\% graphite from 0.2 W/m-K. Reduction of interparticular distance with the increased loading of CB facilitates better thermal transport. Aspect ratios of second conducting fillers have been found out from transmission electron microscopy and scanning electron microscopy analysis.}, doi = {10.1007/s13233-017-5045-5}, author = {Ramanujam, B. T. S. and Radhakrishnan, S. and Deshpande, Shripad D.} } @article {43933, title = {Anti-microbial activity of chrysomycin a produced by streptomyces sp. against mycobacterium tuberculosis}, journal = {RSC Advances}, volume = {7}, year = {2017}, month = {JUL}, pages = {36335-36339}, type = {Article}, abstract = {Limited efficacy of the BCG (Bacillus Calmette{\textendash}Gu{\'e}rin) vaccine against adult tuberculosis and the emergence of resistance to existing anti-tuberculosis drugs compel discovery of novel antibiotics against Mycobacterium tuberculosis. Actinomycetes are still an attractive platform for the discovery of new antimicrobials, especially from untapped natural hotspots, despite the belief that they are an exhausted resource after repeated re-discoveries. Herein we report the isolation and identification of chrysomycin A from an actinomycete isolated from a coastal area in Kerala. We show for the first time that it has antimycobacterial activity. It was found to be bactericidal to planktonic and intracellular M. tuberculosis with an MIC of 3.125 μg mL$^{-}${\textonesuperior}; it is non-hemolytic and has negligible cytotoxicity. The actinomycete that produces chrysomycin A was found to be a Streptomyces sp. through 16S rRNA gene sequencing.}, doi = {10.1039/C7RA05576E}, author = {Balaji, Muralikrishnan and Dan, Vipin Mohan and Joseph, Vinodh and Jamsheena, Vellekkatt and Ramachandran, Ranjit and Thomas, Sabu and Dastager, Syed Gulam and Kumar, K. Santhosh and Lankalapalli, Ravi Shankar and Kumar, R. Ajay} } @article {45677, title = {Anti-proliferative effect of novel primary cetyl alcohol derived sophorolipids against human cervical cancer cells HeLa}, journal = {Plos One}, volume = {12 }, year = {2017}, month = {APR}, pages = {e0174241}, type = {Article}, abstract = {Sophorolipids (SLs) are glycolipid biosurfactants that have been shown to display anticancer activity. In the present study, we report anti-proliferative studies on purified forms of novel SLs synthesized using cetyl alcohol as the substrate (referred as SLCA) and their anticancer mechanism in human cervical cancer cells. Antiproliferative effect of column purified SLCA fractions (A, B, C, D, E and F) was examined in panel of human cancer cell lines as well as primary cells. Among these fractions, SLCA B and C significantly inhibited the survival of HeLa and HCT 116 cells without affecting the viability of normal human umbilical vein endothelial cells (HUVEC). The two fractions were identified as cetyl alcohol sophorolipids with non-hydroxylated tail differing in the degree of acetylation on sophorose head group. At an IC50 concentration SLCA B (16.32 mu g ml(-1)) and SLCA C (14.14 mu g ml(-1)) blocked the cell cycle progression of HeLa cells at G1/S phase in time-dependent manner. Moreover, SLCA B and SLCA C induced apoptosis in HeLa cells through an increase in intracellular Ca2+ leading to depolarization of mitochondrial membrane potential and increase in the caspase-3, -8 and -9 activity. All these findings suggest that these SLCAs could be explored for their chemopreventive potential in cervical cancer.}, doi = {10.1371/journal.pone.0174241}, author = {Nawale, Laxman and Dubey, Parul and Chaudhari, Bhushan and Sarkar, Dhiman and Prabhune, Asmita} } @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 {43905, title = {Base-free and catalyst-free synthesis of functionalized dihydrobenzoxazoles via vinylogous carbonate to carbamate rearrangement}, journal = {Organic Letters}, volume = {19}, year = {2017}, month = {OCT}, type = {Article}, abstract = {An unexpected, catalyst-free, and base-free intramolecular cyclization of N-aryloxyacrylate aldimines, under thermal conditions leading to the synthesis of functionalized dihydrobenzoxazoles, is reported. The reaction features a unique rearrangement of vinylogous carbonates to vinylogous carbamates resulting in a new carbon{\textendash}oxygen and carbon{\textendash}nitrogen bond construction. The reaction tolerates a broad range of functional groups and the desired products are formed in moderate to good yields.}, doi = {10.1021/acs.orglett.7b02733}, author = {Das, Tamal Kanti and Mondal, Santigopal and Gonnade, Rajesh G. and Biju, Akkattu T.} } @article {43978, title = {Biosurfactant surfactin as a kinetic promoter for methane hydrate formation}, journal = {Energy Procedia}, volume = {105}, year = {2017}, month = {MAY}, pages = {5011-5017}, type = {Article}, abstract = {In the present study, the effect of the biosurfactant Surfactin on methane hydrate formation kinetics was studied. Initially, several marine derived species were screened for the presence of Surfactin. The polymerase chain reaction technique was used as the preliminary screening step for Surfactin which was then followed up by a couple of different assays to provide conclusive evidence of the same. Based on these tests, the D-9 bacterial strain was identified as a producer of Surfactin. Once the presence of Surfactin had been proven, its effect on methane hydrate formation kinetics was investigated upon by carrying out hydrate formation experiments in a stirred tank reactor. The cell free supernatant containing Surfactin was itself used as the hydrate forming solution without any further processing. It was found that the presence of Surfactin in the system greatly enhances hydrate formation kinetics as compared to pure water. In fact the kinetics in presence of Surfactin also surpassed that obtained with 1 wt\% SDS, the most commonly used synthetic kinetic hydrate promoter. This basic study can pave the way for more sophisticated research on the use of biosurfactants as kinetic promoters with a view on rapid methane hydrate formation kinetics for applications such as methane separation, storage and transport.}, doi = {10.1016/j.egypro.2017.03.1050}, author = {Bhattacharjee, Gaurav and Barmecha, Vivek and Pradhan, Darshan and Naik, Rajesh and Zare, Kirti and Mawlankar, Rahul R. and Dastager, Syed Gulam and Kushwaha, Omkar Singh and Kumar, Rajnish} } @article {43967, title = {Can fungi compete with marine sources for chitosan production?}, journal = {International Journal of Biological Macromolecules}, volume = {104}, year = {2017}, month = {NOV}, pages = {1415-1421}, type = {Journal Article}, abstract = {

Chitosan, a β-1,4-linked glucosamine polymer is formed by deacetylation of chitin. It has a wide range of applications from agriculture to human health care products. Chitosan is commercially produced from shellfish, shrimp waste, crab and lobster processing using strong alkalis at high temperatures for long time periods. The production of chitin and chitosan from fungal sources has gained increased attention in recent years due to potential advantages in terms of homogenous polymer length, high degree of deacetylation and solubility over the current marine source. Zygomycetous fungi such as Absidia coerulea, Benjaminiella poitrasii, Cunninghamella elegans, Gongrenella butleri, Mucor rouxii, Mucor racemosus and Rhizopus oryzae have been studied extensively. Isolation of chitosan are reported from few edible basidiomycetous fungi like Agaricus bisporus, Lentinula edodes and Pleurotus sajor-caju. Other organisms from mycotech industries explored for chitosan production are Aspergillus niger, Penicillium chrysogenum, Saccharomyces cerevisiae and other wine yeasts. Number of aspects such as value addition to the existing applications of fungi, utilization of waste from agriculture sector, and issues and challenges for the production of fungal chitosan to compete with existing sources, metabolic engineering and novel applications have been discussed to adjudge the potential of fungal sources for commercial chitosan production.

}, keywords = {Cell wall, Chitin/chitosan, Waste Mycelial Biomass, Zygomycetous Fungi}, doi = {10.1016/j.ijbiomac.2017.01.112}, author = {Ghormade, V.}, editor = {Pathan, E.K.} } @article {43871, title = {Capillary uptake in macroporous compressible sponges}, journal = {Soft Matter}, volume = {13}, year = {2017}, month = {SEP}, chapter = { 5731-5740}, abstract = {

The capillarity-driven uptake of liquid in swellable, highly porous sponges is of significant industrial importance. Sponges prepared using polymers and their composites with carbon nanotubes and graphene have been reported, with extraordinary solvent uptake capacities and with the ability to separate oil from water. However, the effect of systematic variation of sponge characteristics on solvent uptake has not been investigated. Here, we report experiments that study capillary uptake in a variety of flexible, centimetre-sized macroporous cylindrical sponges. We used ice-templating to prepare a series of model macroporous sponges in which the porosity, modulus and composition were systematically varied. We investigated two kinds of sponge: (a) those composed purely of cross-linked polymers and (b) those prepared as composites of inorganic particles and polymers. Both kinds of sponge are flexible and exhibit elastic recovery after large compressive deformation. All sponges were characterized thoroughly with respect to their pore microstructure and elastic modulus. When one end of a sponge is plunged into a large reservoir, water rises through capillary action against gravity. We observed a transition from an inertial capillary regime, where the liquid column height rose linearly with time, t, to a viscous capillary regime, where the liquid height rose with time t(0.5). We showed that these results can be rationalized using analyses developed for rigid sponges. We combined differential momentum balance equations for uptake in rigid capillaries with the phenomenological Ergun-Forchheimer relations to account for the effect of the sponge microstructure. This approach works remarkably well in the viscous capillary regime and shows that capillary uptake is governed primarily by the total porosity and pore dimensions of soft sponges.

}, keywords = {aerogels, Building blocks, Catalyst Supports, Contact-angels, Dynamics, flow, Organic Liquids, Porous-Media, Rise}, issn = {1744-683X}, doi = {10.1039/c7sm00826k}, author = {Chatterjee, Soumyajyoti and Doshi, Pankaj and Kumaraswamy, Guruswamy} } @inbook {45783, title = {Carbene or C1 polymerization}, booktitle = {Metal-catalyzed polymerization: fundamentals to applications}, year = {2017}, pages = {117-136}, publisher = {CRC Press}, organization = {CRC Press}, chapter = {Ring-opening polymerization and metathesis polymerizations}, abstract = {

As noted in Chapter 2, metal-catalyzed polymerization of carbon-carbon double bond (C=C) containing monomers is most widely known and today we produce roughly 180 million tons of polyolefins every year. 1 In this so-called olefin polymerization or vinyl insertion polymerization method, each monomer delivers two carbon (C2) atoms in each propagation step. Insertion polymerization of monomers delivering only one carbon unit in each chain growth step is named as C1 or carbene polymerization (see Figure 3.1). 2 In the recent past, C1 polymerization techniques are being viewed as a valuable alternative to the classical C2 polymerization methods. Not only this but also C1 polymerization offer distinct advantages over C2 polymerization and thus opens up new avenues for the development of new material with polymer properties that are very difficult to achieve using traditional C2 polymerization methods. In this chapter we will discuss the significance of C1 polymerization and the different methods used for C1 polymerization, will summarize the recent developments, and will highlight the elementary steps involved in it.

}, isbn = {978-149876757-6}, issn = {978-149876758-3}, doi = {10.1201/b19905}, author = {De Bruin, B. and Chikkali, S.H.} } @article {43921, title = {Carbonylation of glycerol with urea to glycerol carbonate over supported Zn catalysts}, journal = {Applied Petrochemical Research}, volume = {7}, year = {2017}, month = {APR}, chapter = {41-53}, abstract = {

Glycerol carbonylation with urea is a very feasible option to produce glycerol carbonate with a net result of CO2 fixation through urea synthesis. The prerequisite of an efficient catalyst for this reaction is to possess both acid and basic sites together. Several acidic supports were screened for ZnO catalyst in this work and Zn/MCM-41 was found to exhibit the best activity and almost complete selectivity to glycerol carbonate (GC). Although, non-catalytic glycerol carbonylation resulted in GC formation but glycerol conversion achieved was twice with Zn/MCM-41 as a catalyst. Further to that increase in Zn loading from 2 to 5\% resulted in increase in glycerol conversion from 63 to 82\%. The prepared catalysts were characterized by XRD, NH3 and CO2-TPD and effects of reaction parameters such as catalyst loading, glycerol to urea mole ratio and temperature on glycerol conversion and GC selectivity in batch mode of operation were also studied. Time on stream activity of 5\% Zn/MCM-41 catalyst for continuous carbonylation of glycerol was also studied for ~100 h with an average conversion of ~55\% and complete selectivity to GC. This indicated five times lower productivity of GC per h due to lower residence time than that in a batch operation as compared to that of a continuous operation. Activation energy estimated from the Arrhenius plot was found to be 39.82 kJ mol-1 suggesting that the reaction is kinetically controlled. A reaction pathway mediated by acid and basic sites of the Zn/MCM-41 catalyst is also proposed.

}, keywords = {Acid{\textendash}base ratio, Continuous process, Glycerol carbonate, Glycerol-urea carbonylation, reaction pathway, Supported Zn, Zn loading}, issn = {2190-5533}, doi = {10.1007/s13203-017-0177-2}, author = {Kondawar, S. E. and Mane, R. B. and Vasishta, A. and More, S. B. and Dhengale, S. D. and Rode, C. V.} } @article {45752, title = {Catalyst-free oxidation of sulfides to sulfoxides and diethylamine catalyzed oxidation of sulfides to sulfones using oxone as an oxidant}, journal = {Research on Chemical Intermediates}, volume = {43}, year = {2017}, month = {DEC}, pages = {6875-6888}, type = {Article}, abstract = {

We describe here our journey from the failure of our attempts in controlled oxidation of sulfides to sulfoxides using an Oxone(A (R))-KBr combination to our success in the development of a catalyst-free protocol for the oxidation of sulfides to sulfoxides using Oxone as an oxidant. We also describe the failure of our attempts at the oxidation of sulfides to sulfones using an excess of Oxone-KBr as well as Oxone, and our success towards the development of a rapid, scalable and chromatography-free protocol for the oxidation of sulfides to sulfones using diethylamine-Oxone as an unprecedented catalyst-oxidant combination. [GRAPHICS] .

}, keywords = {diethylamine, organocatalysis, Oxidation, Oxone, Sulfones, Sulfoxides}, issn = {0922-6168}, doi = {10.1007/s11164-017-3026-0}, author = {Kupwade, R. V. and Khot, S. S. and Lad, U. P. and Desai, U. V. and Wadgaonkar, P. P.} } @article {43831, title = {Catalytic conversion of biomass}, journal = {Chemcatchem}, volume = {9}, year = {2017}, month = {JUL}, pages = {2613-2614}, type = {Article}, doi = {10.1002/cctc.201700884}, author = {Dhepe, Paresh and Tomishige, Keiichi and Wu, Kevin C. -W.} } @article {43560, title = {Catalytic macroporous biohydrogels made of ferritin-encapsulated gold nanoparticles}, journal = {Chempluschem}, volume = {82}, year = {2017}, month = {FEB}, pages = {225-232}, abstract = {Reported is a modular approach for the incorporation and stabilization of gold nanoparticles inside a three-dimensional macroporous hydrogel made of ferritin. The strategy, which involves the dynamic templating of surfactant H-1 domains, demineralization, and remineralization helps to overcome aggregation and degradation issues usually associated with bare-metal-based nanocatalysts. The catalytic activity of the so-synthesized bionanocomposite hydrogel was demonstrated in both nitroaldol (Henry) and nitroreduction model reactions in aqueous solution at room temperature. An interesting synergistic effect between basic residues of the protein and the gold nanoparticles was found in the nitroaldol reaction when carried out in water in the presence of a phase-transfer catalyst. Furthermore, the reduction of 4-nitrophenol and 4-nitroaniline catalyzed by the nanocomposite scaffold in the presence of NaBH4 proceeded significantly faster than that using other known Au- and Ag-based catalysts under similar conditions.}, doi = {10.1002/cplu.201600454}, author = {Kumari, Sushma and Haring, Marleen and Sen Gupta, Sayam and Diaz, David Diaz} } @article {44148, title = {Cerium-based metal-organic framework having inherent oxidase-like activity applicable for colorimetric sensing of biothiols and aerobic oxidation of thiols}, journal = {Crystengcomm}, volume = {19}, year = {2017}, month = {OCT}, pages = {5915-5925}, type = {Article}, abstract = {A cerium-basedmetal-organic framework (MOF; 1) with a UiO-66 (UiO: University of Oslo) framework topology was synthesized solvothermally by employing 3,4-dimethylthieno[2,3-b] thiophene-2,5-dicarboxylic acid as a ligand. The MOF was thoroughly characterized by X-ray photoelectron spectroscopy (XPS), X-ray powder diffraction, infrared spectroscopy, and thermogravimetric and N-2 sorption analyses. The activated material (1{\textquoteright}) retained its structural integrity in water, acetic acid and 1 M HCl solution. XPS investigation reveals the presence of both Ce(III) and Ce(IV) ions in 1. Owing to the presence of mixed-valence cerium ions, 1{\textquoteright} was able to oxidize the chromogenic peroxidase substrate 3,3{\textquoteright}, 5,5{\textquoteright}-tetramethylbenzidine (TMB) or 2,2{\textquoteright}azinobis.3- ethylbenzothizoline-6-sulfonic acid) (AzBTS) in the absence of an external oxidizing agent. Thus, it showed inherent oxidase-like catalytic properties. Inspired by the excellent oxidase-mimicking activity of 1{\textquoteright}, a protocol was developed for the rapid colorimetric sensing of biothiols in NaAc buffer (0.2 M, pH = 4). The sensing ability of 1{\textquoteright} towards cysteine was also demonstrated in human blood plasma. Furthermore, the redox-active cerium ions enabled 1{\textquoteright} to exhibit excellent heterogeneous catalytic performance in aerobic oxidation catalysis of thiol compounds. The material is reusable (both as a sensor and as a catalyst), lowcost and highly stable, which renders it a promising candidate for the monitoring of biothiols in immunoassays and medical diagnosis as well as for industrial oxidation catalysis.}, doi = {10.1039/c7ce01053b}, author = {Dalapati, Rana and Sakthivel, Balasubramanian and Ghosalya, Manoj K. and Dhakshinamoorthy, Amarajothi and Biswas, Shyam} } @article {44111, title = {Chiral discrimination through h-1 nmr and luminescence spectroscopy: dynamic processes and solid strip for chiral recognition}, journal = {Chemistry-A European Journal}, volume = {23}, year = {2017}, month = {DEC}, pages = {18303-18313}, type = {Article}, abstract = {The appropriate choice of the host molecules with well-defined optical activity (S-H/R-H) helps in the differentiation between two secondary ammonium ion-derivative guest molecules with different optical activities (R-G/S-G) based on the fluorescence resonance energy transfer (FRET)based luminescence responses. Crown ether-based host molecules with opposite chiral configurations (R-H, S-H) have been derived from 1,1{\textquoteright}-bi-2-naphthol (BINOL) derivatives that have axially chiral biaryl centers. These chiral crown ethers form host-guest complexes (i.e., [2] pseudoro-taxanes) with chiral secondary ammonium ion derivatives (R-G, S-G). NMR spectroscopic studies show that the complexes are in a dynamic equilibrium in solution. Results of the H-1 NMR and fluorescence spectroscopic studies indicate a head-on orientation of the host and guest in the [2] pseudorotaxanes. The difference in the efficiency in the FRET-based responses between anthracene and the BINOL derivatives allow efficient chiral discrimination of the guests. Isothermal titration calorimetry and NMR investigations reveal that inclusion complexes between hosts and guests of the same chirality (R-H center dot R-G, S-H center dot S-G) are more stable relative to those of opposite chirality (R-H center dot S-G, S-H center dot R-G). However, FRET-based energy-transfer efficiency is higher for R-H center dot S-G and S-H center dot R-G complexes. NMR spectroscopic studies show that the relative orientation of the guest in the host cavity is significantly different when the host binds a guest of the same or opposite chirality; furthermore, the latter is more favorable for FRET, thus enabling discrimination between enantiomers. Interestingly, chiral discrimination of guest ions could also be achieved by using silica surfaces modified with chiral host molecules.}, doi = {10.1002/chem.201704837}, author = {Gangopadhyay, Monalisa and Maity, Arunava and Dey, Ananta and Rajamohanan, P. R. and Ravindranathan, Sapna and Das, Amitava} } @article {43781, title = {Click-chemistry-based multicomponent condensation approach for design and synthesis of spirochromene-tethered 1,2,3-triazoles as potential antitubercular agents}, journal = {Research on Chemical Intermediates}, volume = {43}, year = {2017}, month = {OCT}, pages = {5675-5690}, type = {Article}, doi = {10.1007/s11164-017-2955-y}, author = {Chavan, Pramod V. and Pandit, Kapil S. and Desai, Uday V. and Wadgaonkar, Prakash P. and Nawale, Laxman and Bhansali, Sujit and Sarkar, Dhiman} } @article {45701, title = {Co-catalytic metal oxide nanoparticles decorated silicon/hematite core shell nanowire arrays as efficient photo electrodes for water splitting}, journal = {ChemistrySelect}, volume = {2}, year = {2017}, month = {MAR }, pages = {2544-2551}, type = {Article}, abstract = {

By looking global energy demands, development of highly efficient stable semiconductor photoelectrodes for photoelectrochemical (PEC) water splitting is highly desirable. Herein, we have fabricated co-catalytic nanoparticles decorated Silicon nanowire (SiNWs)/Hematite(Fe2O3) core sell structures as photo anodes and studied the PEC water oxidation properties. As, Fe2O3 possess weak oxidation kinetics, decoration of NiO and Co3O4 nanoparticles on SiNW/Fe2O3 by hydrothermal method, which acts as co-catalysts to improves the water oxidation reactions. It was found that decoration of Co3O4 nanoparticles enhances the photocurrent up to 2.6 times, whereas for NiO nanoparticles improvement is of 1.5 times when compared to the undecorated electrodes. Along with enhancement of photocurrents, it also shows shift of onset potentials. The effect of the co-catalytic nanoparticles on the enhancement of photocurrent and charge transfer resistance at the interface of electrode-electrolyte have been studied by electrochemical impedance spectroscopy. Further, flat band potentials of the photo electrodes have been measured by using Mott-schottky analysis.

}, keywords = {Co-catalysts, photo anodes, Photoelectrochemical cell, silicon nanowires, water splitting}, issn = {2365-6549}, doi = {10.1002/slct.201700083}, author = {Devarapalli, Rami Reddy and Kamaja, Chaitanya Krishna and Shelke, Manjusha V.} } @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.} } @book {45779, title = {Control of polymerization reactors}, year = {2017}, pages = {1-355}, publisher = {CRC Press}, organization = {CRC Press}, edition = {1st}, address = {New York }, abstract = {

This reference and text provides an in-depth description of developments in control techniques and their application to polymerization reactors and offers important introductory background information on polymerization reaction engineering.;Discussing modelling, identification, linear, nonlinear and multivariable schemes, Control of Polymerization Reactors: presents all available techniques that can be used to control reactors properly for optimal performance; shows how to manipulate pivotal variables that affect reactor control; examines methods for deriving dynamic process models to improve reactor efficiency; reviews reactor control problems and points out end-use properties; supplies methods for measuring process variables, and ways to estimate variables that can{\textquoteright}t be measured; and explains how single-input, single-output (SISO) strategies can be effectively used for control.;Filled with illustrative examples to clarify concepts, including more than 730 figures, tables and equations, Control of Polymerization Reactors is intended for use as a reference for chemical, process development, process design, research and development, control systems, and polymer engineers; and polymer chemists and physicists; as well as a text for upper-level undergraduate and graduate students in polymerization reactor control courses.

}, isbn = {978-082479043-1}, doi = {10.1201/9781315140322}, author = {Schurk, F. J and Deshpande, P. B and Leffew, K. W. and Nadkarni, V. M.} } @article {45738, title = {Convenient route for Au@Ti-SiO2 nanocatalyst synthesis and its application for room temperature CO oxidation}, journal = {Journal of Physical Chemistry C}, volume = {121}, year = {2017}, month = {MAR }, pages = {4946-4957}, type = {Article}, abstract = {

Small gold nanoparticles.of size less than 5 nm encapsulated inside titanium modified silica shell have been reported. Here, a modified sol-gel method, which is a one-step process, produces Au@Ti-SiO2 nanocatalyst with a good control of titanium loading. With a titanium loading of 0.9 and 2.2 wt \% in silica, unprecedented low temperature activity (full conversion) is observed for this catalyst for CO oxidation reaction compared to Au@SiO2 catalyst. A combination of optimum sized gold nanoparticles with a large amount of oxygen vacancies created due to Ti incorporation in silica matrix is considered to be the reason for this enhanced catalytic activity. The size of.gold nanoparticles is maintained even after high temperature pretreatments, which show the benefit of encapsulation. The effect of the various pretreatments on the catalytic activity has also been reported.

}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.6b10202}, author = {Soni, Yogita and Kumar, Anumol Erumpukuthical Ashok and Nayak, Chandrani and Deepak, Francis Leonard and Vinod, C. P.} } @article {43899, title = {Copper Cobalt Sulfide Nanosheets Realizing a Promising Electrocatalytic Oxygen Evolution Reaction}, journal = {ACS Catalysis}, volume = {7}, year = {2017}, month = {SEP}, chapter = {5871-5879}, abstract = {

Nanostructured CuCo2S4, a mixed metal thiospinel, is found to be a benchmark electrocatalyst for oxygen evolution reaction (OER) in this study with a low overpotential, a low Tafel slope, a high durability, and a high turnover frequency (TOF) at lower mass loadings. Nanosheets of CuCo2S4 are realized from a hydrothermal synthesis method in which the average thickness of the sheets is found to be in the range of 815 nm. Aggregated nanosheets form a highly open hierarchical structure. When used as an electrocatalyst, CuCo2S4 nanosheets offer an overpotential value of 310 mV at a 10 mA cm(2) current density, which remains consistent for 10000 measured cycles in a 1 M KOH electrolyte. A chronoamperometric study reveals constant oxygen evolution for 12 h at a 10 mV s(-1) scan rate without any degradation of the activity. Furthermore, the calculated mass activity of the CuCo2S4 electrocatalyst is found to be 14.29 A/g and to afford a TOF value of 0.1431 s(-1) at 310 mV at a mass loading of 0.7 mg cm(-2). For comparison, nanostructures of Co3S4 and Cu0.5Co2.5S4 have been synthesized using a similar method followed for CuCo2S4. When compared to the OER activities among these three thiospinels and standard IrO2, CuCo2S4 nanosheets offered the highest OER activities at the same mass loading (0.7 mg/cm(-2)). Extensive X-ray photoelectron spectroscopy and electron paramagnetic resonance analyses for a mechanistic study reveal that introduction of Cu into the Co3S4 lattice enhances the oxygen evolution and kinetics by offering Cu2+ sites for utilitarian adsorption of OH, O, and OOH reactive species and also by offering a highly active high-spin state of octahedral Co3+ for OER catalysis.

}, keywords = {Bifunctional Electrocatalyst, Catalyst, Cuco2s4, Efficient Electrocatalyst, electrocatalyst, Electronic-structure, Nanoparticles, Nanosheet, oxide, oxygen evolution, performance, Recent Progress, Water oxidation, Water Splitting Hydrogen Evolution}, doi = { 10.1021/acscatal.7b01831}, author = {Chauhan, Meenakshi and Reddy, Kasala Prabhakar and Gopinath, Chinnakonda S. and Deka, Sasanka} } @article {45803, title = {Corrigendum: Agro-Industrial wastes for production of biosurfactant by bacillus subtilis ANR 88 and its application in synthesis of silver and gold nanoparticles [Front. Microbiol. 8, (492)] DOI: 10.3389/fmicb.2017.00492}, journal = {Frontiers in Microbiology}, volume = {8}, year = {2017}, month = {MAY}, type = {Erratum}, doi = {10.3389/fmicb.2017.00878}, author = {Rane, A.N. and Baikar, V. V. and Ravi Kumar, V. and Deopurkar, R. L.} } @article {44153, title = {Cucurbit[7]uril induced formation of fret-enabled unilamellar lipid vesicles}, journal = {Langmuir}, volume = {33}, year = {2017}, month = {OCT}, pages = {10989-10999}, type = {Article}, abstract = {A unique fluorescence resonance energy transfer (FRET) process is found to be operational in a unilamellar lipid self-assembly in the aqueous phase. A newly synthesized naphthyl based long chain lipid derivative [N-(naphthalene-1-ylmethyl)tetradecane-1-ammonium chloride, 14NA(+)] forms various self-assembled architectures in the aqueous phase. Controlled changes in lipid concentration lead to a transition of the self-assemblies from micelles to vesicles to rods. In the presence of cucurbit[7]uril (CB7), 14NA(+) forms a host-guest [2]pseudorotaxane complex (CB7(sic)14NA(+)) and secondary interactions lead to the formation of a lipid bilayer with hydrophobic pockets situated in between the layers. The change in the structure of 14NA(+) assemblies, interaction with CB7 and formation of supramolecular assemblies of CB7(sic)14NA(+) were examined using light scattering, spectroscopic, and microscopic techniques. Entrapment of a luminescent dye, anthracene within the hydrophobic bilayer of the supramolecular assembly CB7(sic)14NA(+) favors a modified luminescent response due to an efficient FRET process. Further, the FRET process could be controlled by thermal and chemical stimuli that induce transformation of unilamellar vesicles.}, doi = {10.1021/acs.langmuir.7b02777}, author = {Kushwaha, Shilpi and Maity, Arunava and Gangopadhyay, Monalisa and Ravindranathan, Sapna and Rajamohanan, Pattuparambil R. and Das, Amitava} } @article {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 {43728, title = {DBU-mediated diastereoselective aldol-type cyanomethylation of isatins}, journal = {Journal of Organic Chemistry}, volume = {82}, year = {2017}, month = {APR}, pages = {4489-4496}, type = {Article}, abstract = {An efficient, metal-free approach to 3-substituted 3-hydroxybxindole by DBU-mediated highly diastereoselective addition of aryl acetonitrile to N-protected isatin under mild conditions has been developed. The reaction proceeds smoothly to produce respective cyanomethylated adducts in good yield and excellent diastereoselectivity. Further transformation of the cyanide group allowed the synthesis of an advance intermediate of corresponding (+/-) CPC analogue. The mechanistic insight :toward the aldol-type cyanomethylation, of N-tritylisatin with benzyl cyanide was obtained by DFT calculations.}, doi = {10.1021/acs.joc.7b00512}, author = {Rao, V. U. Bhaskara and Kumar, Krishna and Das, Tamal and Vanka, Kumar} } @inbook {45805, title = {Defluoridation of drinking water using fe-al mixed metal hydroxides}, booktitle = { Novel Water Treatment and Separation Methods: Simulation of Chemical Processes}, year = {2017}, pages = {77-100}, edition = {1st}, chapter = {Defluoridation of drinking water using fe-al mixed metal hydroxides}, abstract = {In this chapter, we report findings from study carried out on removal of fluoride from drinking or potable water using Fe-Al mixed metal hydroxides. For experimental analysis, the product mixed Fe-Al hydroxides was prepared by applying a co-precipitation method. The resulting metal hydroxide was thoroughly characterized using analytical tests of X-ray diffraction (XRD), scanning electron microscopy (SEM), and Brunauer-Emmett-Teller (BET) surface area analysis. In order to characterize the equilibrium behavior of adsorbent, we study experimentally the effects of different operating parameters. The selected parameters for analysis are adsorbent loading, initial fluoride concentration, pH of the solution, and interfering ions (usually present in groundwater). The equilibrium adsorption data was later fitted for Langmuir adsorption isotherm, and experimental observations show a maximum fluoride adsorption capacity of 2.05 mg.g-1. The experimental results reveal that the adsorption dynamics follows a pseudo-second-order kinetic model.}, isbn = {978-177188578-2}, doi = {10.1201/9781315225395}, author = {Telang, T. and Deosarkar, M.P. and Shetty, R. and Kamble, S.P.} } @article {43955, title = {Demonstrating the role of anchoring functionality in interfacial electron transfer dynamics in newly synthesized BODIPY-TiO2 nanostructure composite}, journal = {New Journal of Chemistry}, volume = {41}, year = {2017}, month = {MAY}, type = {Article}, abstract = {New Bodipy derivatives (Dye 1 and 2) having catechol or resorcinol functionality for anchoring to the nanostructured (NS) TiO2 surfaces have been synthesized. Extended conjugation at one of the two pyrrole rings at the C3 position has helped us in achieving the desired control in tuning the optical and redox properties of the BODIPY based dye molecules. Relative emission quantum yields (em1 = ~52 {\textpm} 2\% and em2 = 54 {\textpm} 2\%) are found to be much higher in polar aprotic solvent (acetonitrile), while this are found to be substantially lower for dye 1 in polar protic solvent. Steady state optical absorption studies reveal the formation of a strong charge transfer complex between dye 1 and NS-TiO2, while this interaction is much weaker for dye 2. Transient absorption studies have been carried out for 1/NS-TiO2 and 2/NS-TiO2 systems following excitation with a laser source of 400 nm for understanding the charge transfer dynamics. Results of the transient absorption spectral studies helped in elucidating role of anchoring functionality in influencing the dynamics of the interfacial electron transfer and the charge recombination process in ultrafast time scale.}, doi = {10.1039/C7NJ00668C}, author = {Ghosh, Hirendra N. and Das, Amitava and Aute, Sunil and Maity, Partha} } @article {44088, title = {Dendrimeric amide- and carbamate-linked lysine-based efficient molecular transporters}, journal = {Organic \& Biomolecular Chemistry}, volume = {15}, year = {2017}, month = {DEC}, pages = {9579-9584}, type = {Article}, abstract = {

Amide- and carbamate-linked dendrimeric oligomers are reported as molecular transporters. They effectively complex with pDNA and transport it into cells at an efficiency superior to Lipofectamine, when complexation is carried out by incubation overnight. The carbamate-linked K2C is superior to amide-linked K2A; their pDNA complexes have very low associated cytotoxicity.

}, doi = {10.1039/c7ob02552a}, author = {Yadav, Amit Kumar and Dey, Namit and Chattopadhyay, Sabyasachi and Ganguli, Munia and Fernandes, Moneesha} } @article {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.} } @conference {45807, title = {Development of ARM based embedded controller for mass flow controller system}, booktitle = {9th International Conference on Trends in Industrial Measurement and Automation, TIMA 2017.}, year = {2017}, month = {OCT}, publisher = {Institute of Electrical and Electronics Engineers Inc.}, organization = {Institute of Electrical and Electronics Engineers Inc.}, address = {Chennai, India.}, abstract = {The purpose for this paper is to describe the central Embedded Controller development done for Mass Flow Controllers (MFCs) M100B system. Work caters to control M100B MFCs being used for one of the systems at National Chemical Laboratory. M100B MFC accurately measures and controls the mass flow rates of gases. The central controller for this system is non functional and technology is outdated and hence new central embedded controller is developed for the system. Development is done using ARM7 32-bit RISC microcontroller Philips LPC2148, as low power and high frequency design. Serial ADCs are interfaced to ARM microcontroller. LCD display 20{\texttimes}4 is used for display of run status, diagnostic and error messages. Touch keypad is designed and interfaced for setting of mass flow rate for different MFCs against MFC number selected by keypad. The software development is done using Keil micro vision 4. This ARM based controller is a real time system with display of diagnostic and error messages.}, isbn = {978-150903001-9}, doi = {10.1109/TIMA.2017.8064779}, author = {Iyer, N. and Shinde, S. and Dhawale, T. and Shelar, N.} } @article {43853, title = {Development of metarhizium anisopliae as a mycoinsecticide: from isolation to field performance}, journal = {Jove-Journal of Visualized Experiments}, year = {2017}, month = {JUL}, pages = {Article Number: e55272}, type = {Article}, abstract = {A major concern when developing commercial mycoinsecticides is the kill speed compared to that of chemical insecticides. Therefore, isolation and screening for the selection of a fast-acting, highly virulent entomopathogenic fungus are important steps. Entomopathogenic fungi, such as Metarhizium, Beauveria, and Nomurea, which act by contact, are better suited than Bacillus thuringiensis or nucleopolyhedrosis virus (NPV), which must be ingested by the insect pest. In the present work, we isolated 68 Metarhizium strains from infected insects using a soil dilution and bait method. The isolates were identified by the amplification and sequencing of the ITS1-5.8S-ITS2 and 26S rDNA region. The most virulent strain of Metarhizium anisopliae was selected based on the median lethal concentration (LC50) and time (LT50) obtained in insect bioassays against III-instar larvae of Helicoverpa armigera. The mass production of spores by the selected strain was carried out with solid-state fermentation (SSF) using rice as a substrate for 14 days. Spores were extracted from the sporulated biomass using 0.1\% tween-80, and different formulations of the spores were prepared. Field trials of the formulations for the control of an H. armigera infestation in pigeon peas were carried out by randomized block design. The infestation control levels obtained with oil and aqueous formulations (78.0\% and 70.9\%, respectively) were better than the 63.4\% obtained with chemical pesticide.}, doi = {10.3791/55272}, author = {Tupe, Santosh G. and Pathan, Ejaj K. and Deshpande, Mukund V.} } @article {43504, title = {Diastase induced green synthesis of bilayered reduced graphene oxide and its decoration with gold nanoparticles}, journal = {Journal of Photochemistry and Photobiology B-Biology}, volume = {166}, year = {2017}, month = {JAN}, pages = {252-258}, abstract = {In this paper, we report an enzyme dependent, green one-pot deoxygenation cum decoration method to synthesize diastase-conjugated reduced graphene oxide (DRG) nanosheets, DRG/gold nanoparticles (DRG/Au) composite. The DRG synthesis was completed in 7 h under heating at 90 degrees C on water bath. Selected area electron diffraction (SAED) and Atomic force microscopy (AFM) study has revealed the formation of bilayered reduced graphene oxide sheets. Transmission electron microscopy (TEM) images of DRG/Au composite have shown the uniform decoration of gold nanoparticles (AuNPs) onto the DRG nanosheet surface. Fourier transform infrared spectroscopy (FTIR) and Raman results additionally have shown the functionalization of enzyme molecules onto the DRG nanosheet surface after reduction making it as an effective platform towards the efficient binding of gold nanoparticles. In vitro cytotoxicity studies by MIT assay on A549 and HCT116 cell lines exhibited that the cytotoxicity of the prepared graphene oxide (GO), DRG and DRG/Au is dose dependant. These results have shown that this synthetic method is effective for the production of large scale graphene in a low cost, simple and green method. Since this process avoids the use of hazardous and toxic substances, the produced DRG/Au composites are likely to offer various potential applications in biology and medicine. (C) 2016 Published by Elsevier B.V}, doi = {10.1016/j.jphotobiol.2016.12.008}, author = {Maddinedi, Sireesh Babu and Mandal, Badal Kumar and Patil, Sagar Hindurao and Andhalkar, Vaibhav Vilas and Ranjan, Shivendu and Dasgupta, Nandita} } @article {43930, title = {Diethylamine Dess-Martin periodinane: an efficient catalyst-oxidant combination in a sequential, one-pot synthesis of difficult to access 2-amino-3,5-dicarbonitrile-6-sulfanylpyridines at ambient temperature}, journal = {RSC Advances}, volume = {7}, year = {2017}, month = {AUG}, pages = {38877-38883}, type = {Article}, abstract = {Herein, diethylamine Dess{\textendash}Martin periodinane has been demonstrated for the first time as an efficient catalyst{\textendash}oxidant combination in a sequential, one-pot synthesis of medicinally privileged but difficult to access 2-amino-3,5-dicarbonitrile-6-sulfanylpyridines via a pseudo-four component reaction between 2,6-disubstituted benzaldehydes, malononitrile, and thiols. Ambient reaction conditions, excellent yields, and total avoidance of conventional isolation as well as purification are the noteworthy merits of this developed protocol.}, doi = {10.1039/C7RA07738F}, author = {Kupwade, Ravindra V. and Khot, Supriya and Kulkarni, M. A. and Desai, Uday V. and Wadgaonkar, Prakash P.} } @article {45745, title = {Dihydropyrimidinone-isatin hybrids as novel non-nucleoside HIV-1 reverse transcriptase inhibitors}, journal = {Bioorganic Chemistry}, volume = {70}, year = {2017}, month = {FEB}, pages = {256-266}, type = {Article}, abstract = {A novel series of substituted N-(2-( 2,3-dioxoindolin-1-yl) acetyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5carboxamide was designed, synthesized and evaluated for in vitro Reverse Transcriptase (RT) inhibitory activity. This series is a combination of peculiar structural features from leading scaffolds of [(2-hydroxye thoxy) methyl]-6-(phenylthio) thymine (HEPT) and oxyindole. In vitro screening led to identification of two hybrids (9c and 9d) possessing higher RT inhibitory activity than the standard rilpivirine. Docking study was performed to study the binding orientations of synthesized hybrids towards RT enzyme. }, doi = {10.1016/j.bioorg.2017.01.006}, author = {Devale, T. L. and Parikh, J. and Miniyar, P. and Sharma, P. and Shrivastava, B. and Murumkar, P.} } @article {44152, title = {Direct production of furfural in one-pot fashion from raw biomass using bronsted acidic ionic liquids}, journal = {Scientific Reports}, volume = {7}, year = {2017}, month = {OCT}, pages = {Article Number: 13508}, type = {Article}, abstract = {The conversion of raw biomass into C5-sugars and furfural was demonstrated with the one-pot method using Bronsted acidic ionic liquids (BAILs) without any mineral acids or metal halides. Various BAILs were synthesized and characterized using NMR, FT-IR, TGA, and CHNS microanalysis and were used as the catalyst for raw biomass conversion. The remarkably high yield (i.e. 88\%) of C5 sugars from bagasse can be obtained using 1-methyl-3(3-sulfopropyl)-imidazolium hydrogen sulfate ([C3SO3HMIM][HSO4]) BAIL catalyst in a water medium. Similarly, the [C3SO3HMIM][HSO4] BAIL also converts the bagasse into furfural with very high yield (73\%) in one-pot method using a water/toluene biphasic solvent system.}, doi = {10.1038/s41598-017-13946-4}, author = {Matsagar, Babasaheb M. and Hossain, Shahriar A. and Islam, Tofazzal and Alamri, Hatem R. and Alothman, Zeid A. and Yamauchi, Yusuke and Dhepe, Paresh L. and Wu, Kevin C. W.} } @inbook {45808, title = {Diversity of natural yeast flora of grapes and its significance in wine making}, booktitle = {Yeast Diversity in Human Welfare}, year = {2017}, pages = {1-27}, publisher = {Springer}, organization = {Springer}, address = {New York}, abstract = {The biodiversity of yeasts associated with grapes has been studied in different regions of wine producing countries throughout the world. Most of the species associated with the wine environment are similar, while some species are specifically associated with specific regions. Though Saccharomyces cerevisiae is primarily used for fermentation of grape juice, its occurrence is low on grape berries. Non-Saccharomyces yeasts belonging to the genera Torulaspora, Hanseniaspora, Pichia, Candida, Issatchenkia, Metschnikowia etc. are in abundance in grape musts and may dominate the early stages of fermentation. Subsequently, S. cerevisiae proliferates, becomes dominant and completes the wine fermentation. Therefore, yeasts diversity associated with the grapes and must significantly contribute to the quality and varietal character of wine. In present review, the diversity of yeasts associated with vineyard, winery, succession of yeasts during fermentation and their role in wine quality is discussed. The knowledge will be useful to monitor and control the fermentation with respect to quality and spoilage. }, isbn = {978-9811026201}, doi = {10.1007/978-981-10-2621-8_1}, author = {Deshpande, M.V. and Mane, S.S. and Ghormade, V. and Tupe, S.G.} } @article {43683, title = {Diversity-oriented synthesis of spiroannulated benzofuran-3-one scaffold of leptosphaerin C and congeners via aryne insertion}, journal = {Journal of Organic Chemistry}, volume = {82}, year = {2017}, month = {MAY}, pages = {4875-4882}, type = {Article}, abstract = {A concise synthesis of functionalized cyclohexenone-fused spirobenzofuran-3-ones under mild reaction conditions was developed. The reaction proceeds via insertion of aryne into the C-O bond followed by a regioselective intramolecular conjugate addition. The use of silyl-protected acid was crucial for the transformation. This protocol was successfully applied for the synthesis of leptosphaerin C core and its novel analogues.}, doi = {10.1021/acs.joc.7b00606}, author = {Dhokale, Ranjeet A. and Mhaske, Santosh B.} } @article {43816, title = {Domibacillus mangrovi sp nov and domibacillus epiphyticus sp nov., isolated from marine habitats of the central west coast of India}, journal = {International Journal of Systematic and Evolutionary Microbiology}, volume = {67}, year = {2017}, month = {AUG}, pages = {3063-3070}, type = {Article}, abstract = {While studying culturable bacterial diversity in different marine habitats of the central west coast of India, two novel Gramstain-positive, strictly aerobic, motile, endospore-forming and rod-shaped bacterial strains designated as SAOS 44(T) and SAB 38(T) were isolated from mangrove sediment soil and the surface of a macroalga, respectively. The strains were taxonomically characterized by using a polyphasic approach and genomic methods. The phylogenetic analysis based on 16S rRNA gene sequencing placed the strains firmly in the genus Domibacillus and were most closely related to Domibacillus antri KCTC 33636(T). The predominant fatty acids were iso-C-15 : 0 and anteiso-C-15 : 0. The major polar lipids were diphosphatidylglycerol and phosphatidylglycerol in addition to an aminophosphoglycolipid. MK-6 was the only respiratory quinone. The range of values of digital DNA-DNA hybridization (19.2-24.9 \%) and the ortho-average nucleotide identity (74.1-81.4 \%) among strains SAOS 44(T), SAB 38(T) and other Domibacillus species clearly supports their status as a distinct and novel species for which the names Domibacillus mangrovi sp. nov. SAOS 44(T) (=DSM 100930(T)=KCTC 33820(T)=MTCC 12571(T)) and Domibacillus epiphyticus sp. nov. SAB 38(T) (=DSM 100929(T)= KCTC 33830(T)=MTCC 12575(T)) are proposed, respectively.}, doi = {10.1099/ijsem.0.002085}, author = {Verma, Ashish and Ojha, Anup Kumar and Dastager, Syed G. and Natarajan, Rameshkumar and Mayilraj, Shanmugam and Krishnamurthi, Srinivasan} } @article {43478, title = {Draft genome sequence of lactobacillus plantarum strains E2C2 and E2C5 isolated from human stool culture}, journal = {Standards in Genomic Sciences}, volume = {12}, year = {2017}, month = {JAN}, pages = {Article Number: 15}, abstract = {Probiotic Lactobacillus species offer various health benefits, thus have been employed in treatment and prevention of various diseases. Due to the differences in the isolation source and the site of action, most of the lactobacilli tested in-vitro for probiotics properties fail to extend similar effects in-vivo. Consequently, the search of autochthonous, efficacious and probably population specific probiotics is a high priority in the probiotics research. In this regards, whole genome sequencing of as many Lactobacillus as possible will help to deepen our understanding of biology and their health effects. Here, we provide the genomic insights of two coherent oxalic acid tolerant Lactobacillus species (E2C2 and E2C5) isolated from two different healthy human gut flora. These two isolates were found to have higher tolerance towards oxalic acid (300 mM sodium oxalate). The draft genome of strain E2C2 consists of 3,603,563 bp with 3289 protein-coding genes, 94 RNA genes, and 43.99\% GC content, while E2C5 contained 3,615,168 bp, 3293 coding genes (93.4\% of the total genes), 95 RNA genes and 43.97\% GC content. Based on 16S rRNA gene sequence analysis followed by in silico DNA-DNA hybridization studies, both the strains were identified as Lactobacillus plantarum belonging to family Lactobacillaceae within the phylum Firmicutes. Both the strains were genomically identical, sharing 99.99\% CDS that showed 112 SNPs. Both the strains also exhibited deconjugation activity for the bile salts while genome analysis revealed that the L. plantarum strains E2C2 and E2C5 also have the ability to produce vitamins, biotin, alpha-and beta-glucosidase suggesting potential probiotic activities of the isolates. The description presented here is based on the draft genomes of strains E2C2 and E2C5 which are submitted to GenBank under the accession numbers LSST00000000.1 and LTCD00000000.1, respectively.}, doi = {10.1186/s40793-017-0222-x}, author = {Suryavanshi, Mangesh V. and Paul, Dhiraj and Doijad, Swapnil P. and Bhute, Shrikant S. and Hingamire, Tejashri B. and Gune, Rahul P. and Shouche, Yogesh S.} } @article {44135, title = { Dynamic metabolic reprogramming of steroidal glycol-alkaloid and phenylpropanoid biosynthesis may impart early blight resistance in wild tomato (Solanum arcanum Peralta)}, journal = {Plant Molecular Biology}, volume = {95}, year = {2017}, month = {NOV}, pages = {411-423}, type = {Article}, abstract = {Alternaria solani severely affects tomato (Solanum lycopersicum L.) yield causing early blight (EB) disease in tropical environment. Wild relative, Solanum arcanum Peralta could be a potential source of EB resistance; however, its underlying molecular mechanism largely remains unexplored. Hence, non-targeted metabolomics was applied on resistant and susceptible S. arcanum accessions upon A. solani inoculation to unravel metabolic dynamics during different stages of disease progression. Total 2047 potential metabolite peaks (mass signals) were detected of which 681 and 684 metabolites revealed significant modulation and clear differentiation in resistant and susceptible accessions, respectively. Majority of the EB-triggered metabolic changes were active from steroidal glycol-alkaloid (SGA), lignin and flavonoid biosynthetic pathways. Further, biochemical and gene expression analyses of key enzymes from these pathways positively correlated with phenotypic variation in the S. arcanum accessions indicating their potential role in EB. Additionally, transcription factors regulating lignin biosynthesis were also up-regulated in resistant plants and electrophoretic mobility shift assay revealed sequence-specific binding of rSaWRKY1 with MYB20 promoter. Moreover, transcript accumulation of key genes from phenylpropanoid and SGA pathways along with WRKY and MYB in WRKY1 transgenic tomato lines supported above findings. Overall, this study highlights vital roles of SGAs as phytoalexins and phenylpropanoids along with lignin accumulation unrevealing possible mechanistic basis of EB resistance in wild tomato.}, doi = {10.1007/s11103-017-0660-2}, author = {Shinde, Balkrishna A. and Dholakia, Bhushan B. and Hussain, Khalid and Panda, Sayantan and Meir, Sagit and Rogachev, Ilana and Aharoni, Asaph and Giri, Ashok P. and Kamble, Avinash C.} } @article {45669, title = {Effect of postharvest ethylene treatment on sugar content, glycosidase activity and its gene expression in mango fruit}, journal = {Journal of the Science of Food and Agriculture}, volume = {97 }, year = {2017}, month = {MAR}, pages = {1630-1639}, type = {Article}, abstract = {

BACKGROUND: Ripening-associated softening is one of the important attributes that largely determines the shelf-life of mango (Mangifera indica Linn.) fruits. To reveal the effect of pre-climacteric ethylene treatment on ripening-related softening of Alphonso mango, ethylene treatment was given to mature, raw Alphonso fruits. Changes in the pool of reducing and non-reducing sugars, enzymatic activity of three glycosidases: ss-D-galactosidase, alpha-D-mannosidase and ss-D-glucosidase and their relative transcript abundance were analysed for control and ethylene treated fruits during ripening. RESULTS: Early activity of all the three glycosidases and accelerated accumulation of reducing and non-reducing sugars on ethylene treatment was evident. ss-D-Galactosidase showed the highest activity among three glycosidases in control fruits and marked increase in activity upon ethylene treatment. This was confirmed by the histochemical assay of its activity in control and ethylene treated ripe fruits. Relative transcript abundance revealed high transcript levels of ss-D-galactosidase in control fruits. Ethylene-treated fruits showed early and remarkable increase in the ss-D-galactosidase transcriptswhile alpha-D-mannosidase transcript variants displayed early accumulation. CONCLUSION: Thefindings suggest reduction in the shelf-life of Alphonso mango upon pre-climacteric ethylene treatment, a significant role of ss-D-galactosidase and alpha-D-mannosidase in the ripening related softening of Alphonso fruits and transcriptional regulation of their expression by ethylene. (C) 2016 Society of Chemical Industry

}, doi = {10.1002/jsfa.7912}, author = {Chidley, Hemangi G. and Deshpande, Ashish B. and Oak, Pranjali S. and Pujari, Keshav H. and Giri, Ashok P. and Gupta, Vidya S.} } @article {45697, title = {Effect of reduction protocol of Pd catalysts on product distribution in furfural hydrogenation}, journal = {ChemistrySelect}, volume = {2}, year = {2017}, month = {JAN}, pages = {24-32}, type = {Article}, abstract = {Single step conversion of furfural to ring hydrogenation and decarbonylation products, 2-methyltetrahydrofuran (2-MeTHF) and tetrahydrofuran (THF) in high selectivity was achieved by controlling the particle size of Pd/C catalyst. The particle size variation of Pd/C catalysts in the range of 3.8 to 22 nm could be achieved by employing different reducing agents. Of particular interest was the NaBH4 reduced catalyst (Pd-B/C), which gave the lowest crystallite size of 4.8 nm due to incorporation of B into the inner lattices of Pd-Pd. This phase was evidenced by a characteristic XRD peak of Pd-B at 2q=38.85 degrees as well as a shift of (111) peak (40.07 degrees) of Pd towards the lower value (39.8 degrees). As compared to formaldehyde reduced catalyst (Pd-F/C), Pd-B/C catalyst completely suppressed the formation of furfuryl alcohol to give > 65\% selectivity to 2-MeTHF and THF. At 180 degrees C, almost equal distribution of side chain hydrogenation and ring opening products, 2-MF (45\%) and PeDO (37 \%), respectively, was observed while, higher temperature clearly favoured ring hydrogenation and decarbonylation reactions to give 2-MeTHF and THF.}, doi = {10.1002/slct.201601790}, author = {Date, N. S. and Biradar, N. S. and Chikate, R. C. and Rode, C. V.} } @article {43860, title = {Effect of viscoelastic relaxation modes on stability of extrusion film casting process modeled using multi-mode Phan-Thien-Tanner constitutive equation}, journal = {Applied Mathematical Modelling}, volume = {47}, year = {2017}, month = {JUL}, pages = {487-500}, type = {Article}, abstract = {Extrusion film casting (EFC) is a commercially important process that is used to produce a significant quantity of polymer films, sheets and coatings for both industrial and household applications. Recently, we have demonstrated the influence of polymer chain architecture on the extent of necking under isothermal as well as non-isothermal film casting operation for commercially relevant polyolefin based materials [1-4]. In the present research, we focus on another instability that frequently occurs in high-speed EFC process called as draw resonance. Draw resonance manifests itself as an instability that causes periodic fluctuations in both the width as well as thickness of the extruded molten film above a critical draw ratio (DR). In this work, we have carried out a linear stability analysis of the isothermal EFC process using a multi-mode Phan-Thien-Tanner (PTT) constitutive equation to determine the onset of draw resonance. We show that as the number of relaxation modes is increased there is a dramatic change in the stability regions. In particular, there is a marked variation in the stability regions obtained by Simulating the multi-mode model and those obtained by taking averaged relaxation time of the modes. Additionally, as the number of faster-relaxing modes in a multi-mode spectrum is progressively increased, the process becomes increasingly stable as the level of elasticity in the melt decreases. Finally, the addition of a long relaxation mode in a multi-mode spectrum is akin to adding a long chain branch to a linear polymer that leads to a reduction in film necking and in many cases to enhanced process stability. (C) 2017 Elsevier Inc. All rights reserved.}, doi = {10.1016/j.apm.2017.03.010}, author = {Dhadwal, Renu and Banik, Sourya and Doshi, Pankaj and Pol, Harshawardhan} } @article {43366, title = {Efficient hydrogenation of concentrated aqueous furfural solutions in to furfuryl alcohol under ambient conditions in presence of PtCo bimetallic catalysts}, journal = {Green Chemistry}, volume = {19}, year = {2017}, month = {JAN}, pages = {1144-1154}, type = {Article}, abstract = {

Furfural (FAL), a major biomass-derived chemical, can be hydrogenated to yield the industrially importantplatform chemical, furfuryl alcohol (FOL). Although heterogeneous catalyst-based methods are known toyield FOL from dilute solutions of FAL, they mainly operate at high temperatures and/or high pressures ofhydrogen and in the presence of organic solvents. In this work, we employ bimetallic PtCo/C catalysts withvarying metal concentrations to achieve the maximum possible FOL yield (100\%) at 35 {\textdegree}C under 0.1 MPa H2in water. With concentrated FAL (40 wt\%) at 50 {\textdegree}C and under 1 MPa H2pressure, 86\% yield of FOL wasobserved. Moreover, efficient catalyst recycling was observed over at least four runs with marginal loss inactivity due to handling error and isolation of FOL in pure form confirmed by NMR and HPLC.Characterization of catalysts with several physico-chemical techniques (XRD, TEM, XPS, ICP, TPR) revealsthe presence of electron-rich Pt and ionic Co species in proximity with each other and these worksynergistically to facilitate maximum possible yield of FOL under ambient conditions and in water medium

}, doi = {10.1039/C6GC03143A}, author = {Dohade, Manisha and Dhepe, Paresh Laxmikant} } @article {45764, title = {Efficient oxidation of ethyl benzene using in situ generated molybdenum acetylide oxo-peroxo complex as recyclable catalyst}, journal = {Applied Catalysis A-General}, volume = {531}, year = {2017}, month = {FEB }, pages = {45-51}, type = {Article}, abstract = {

Selective oxidation of various alkanes/alkyl aromatics to corresponding carbonyl compounds has been carried out with very high conversion (similar to 98\%) and selectivity (up to 100\%) for carbonyl compounds using cyclopentadienyl molybdenum acetylide complex, CpMo(CO)(3)(C CPh) (1) as catalyst and tert-butyl hydrogen peroxide (TBHP) as an oxidant and turnover number (TON) of 88 was obtained with turnover frequency (TOF) of 2.45 h(-1). Mo acetylide oxo-peroxo species is formed in situ by reaction of 1 with TBHP during the course of reaction as catalytically active species. Interestingly even though the catalytically active species is homogeneous in nature it could be recycled very easily by recovering the catalytically active species as solid after addition of diethyl ether, and separating the products into organic phase. In the case of ethyl benzene oxidation, even after three recycles no appreciable loss in ethyl benzene conversion and acetophenone selectivity was observed. This complex showed high catalytic activity for the oxo functionalization of other alkyl aromatics and alkanes such as substituted ethyl benzenes, toluene as well as cyclohexane. TBHP was found to be more efficient oxidant than hydrogen peroxide for this oxidation. (C) 2016 Elsevier B.V. All rights reserved.

}, keywords = {Alkyl aromatics, Carbonyl compounds, Homogeneous catalysis, Molybdenum acetylide complex, Oxo-peroxo species}, issn = {0926-860X}, doi = {10.1016/j.apcata.2016.12.003}, author = {Khomane, Sonali B. and Doke, Dhananjay S. and Dongare, M. K. and Halligudi, S. B. and Umbarkar, S. B.} } @article {43843, title = {Efficient synthesis of the opioid analgesic (R)-phenampromide via an aziridinium ion}, journal = {Tetrahedron-Asymmetry}, volume = {28}, year = {2017}, month = {JUL}, pages = {983-986}, type = {Article}, abstract = {A simple and efficient synthesis of the opioid analgesic agent (R)-phenampromide with high enantiopurity (> 99\% ee) via the formation of an aziridinium ion as a key step using commercially available starting material is described. (C) 2017 Elsevier Ltd. All rights reserved.}, doi = {10.1016/j.tetasy.2017.06.001}, author = {Mujahid, Mohammad and Mujumdar, Prashant and Sasikumar, Murugesan and Deshmukh, Shirish P. and Muthukrishnan, Murugan} } @article {43462, title = {Elastic compressible energy storage devices from ice templated polymer gels treated with polyphenols}, journal = {Journal of Physical Chemistry C}, volume = {121}, year = {2017}, month = {FEB}, pages = {3270-3278}, abstract = {Design and fabrication of rechargeable energy storage devices that are robust to mechanical deformation is essential for wearable electronics. We report the preparation of compressible supercapacitors that retain their specific capacitance after large compression and that recover elastically after at least a hundred compression expansion cycles. Compressible supercapacitors are prepared using a facile, scalable method that readily yields centimeter-scale macroporous objects. We ice template a solution of polyethylenimine in green tea extract to prepare a macroporous cross-linked polymer gel (PG) whose walls are impregnated with green tea derived polyphenols. As the PG is insulating, we impart conductivity by deposition of gold on it. Gold deposition is done in two steps: first, silver nanoparticles are formed on the PG walls by in situ reduction by polyphenols and then gold films are deposited on these walls. Gold coated PGs (GPGs) were used as electrodes to deposit poly(3,4-ethylenedioxythiophene) as a pseudocapacitive material. The specific capacitance of PEDOT coated GPGs (PGPG) was found to be 253 F/g at 1 A/g. PGPG could be compressed and expanded over a hundred cycles without any suffering mechanical failure or loss of capacitative performance. The capacitance was found to be 243 F/g upon compressing the device to 25\% of its original size (viz. compressive strain = 75\%). Thus, even large compression does not affect the device performance. This device shows power and energy densities of 2715 W/kg and 22 Wh/kg, respectively, in the uncompressed state. The macroporous nature of PGPG makes it possible to fill the PGPG pores with gel electrolyte. We report that the gel electrolyte filled supercapacitor exhibited a specific capacitance of 200 F/g, which increased by 4\% upon 75\% compression.}, doi = {10.1021/acs.jpcc.6b12822}, author = {Das, Chayanika and Chatterjee, Soumyajyoti and Kumaraswamy, Guruswamy and Krishnarnoorthy, Kothandam} } @article {43549, title = {Electrochemical formation of Fe-V (O) and mechanism of its reaction with water during O-O bond formation}, journal = {Chemistry-A European Journal}, volume = {23 }, year = {2017}, month = {MAR}, pages = {3414-3424}, type = {Journal Article}, abstract = {A detailed electrochemical investigation of a series of iron complexes (biuret-modified tetraamido iron macrocycles FeIII-bTAML), including the first electrochemical generation of Fe-V(O), and demonstration of their efficacy as homogeneous catalysts for electrochemical water oxidation (WO) in aqueous medium are reported. Spectroelectrochemical and mass spectral studies indicated FeV(O) as the active oxidant, formed due to two redox transitions, which were assigned as Fe-IV(O)/Fe-III(OH2)and Fe-V(O)/Fe-IV(O). The spectral properties of both of these high-valent iron oxo species perfectly match those of their chemically synthesised versions, which were thoroughly characterised by several spectroscopic techniques. The O-O bond-formation step occurs by nucleophilic attack of H2O on FeV(O). A kinetic isotope effect of 3.2 indicates an atom-proton transfer (APT) mechanism. The reaction of chemically synthesised Fe-V(O) in CH3CN and water was directly probed by electrochemistry and was found to be first-order in water. The pK(a) value of the buffer base plays a critical role in the rate-determining step by increasing the reaction rate several-fold. The electronic effect on redox potential, WO rates, and onset overpotential was studied by employing a series of iron complexes. The catalytic activity was enhanced by the presence of electron-withdrawing groups on the bTAML framework. Changing the substituents from OMe to NO2 resulted in an eightfold increase in reaction rate, while the overpotential increased threefold.}, doi = {10.1002/chem.201605061}, author = {Pattanayak, Santanu and Chowdhury, Debarati Roy and Garai, Bikash and Singh, Kundan K. and Paul, Amit and Dhar, Basab B. and Sen Gupta, Sayam} } @article {43884, title = {Electrochemical water oxidation catalyzed by an in situ generated alpha-Co(OH)(2) film on zeolite-Y surface}, journal = {Chemistry-A European Journal}, volume = {23}, year = {2017}, month = {JUN}, pages = {8051-8057}, type = {Article}, chapter = {8051-8057}, abstract = {The design and synthesis of an efficient and robust water-oxidation catalyst with inexpensive materials remains an important challenge in the context of artificial photosynthesis. Herein, a simple but unique technique is reported to in situ generate a thin-film of alpha-Co(OH)(2) on the surface of zeolite-Y [hereafter referred to as Y-alpha-Co(OH)(2)] that acts as an efficient and stable catalyst for electrochemical water oxidation in alkaline medium. Catalyst Y-alpha-Co(OH)(2) is so stable that it retains its catalytic activity even after 2000 cyclic voltammetric cycles of water oxidation. Expectedly, the chemical composition of alpha-Co(OH)(2) on the surface of zeolite-Y remains same as that of parent Y-alpha-Co(OH)(2) after 2000 electrocatalytic cycles. A Tafel slope as low as 59 mV decade(-1) in 0.1m KOH (pH 13) suggests faster oxygen evolution kinetics (overpotential = 329 mV; turnover frequency = 0.35 mol O-2 (mol Co)(-1)s(-1) at 1 mA cm(-2)) than the existing alpha-Co(OH)(2)-based electrocatalysts operating in alkaline medium.}, issn = {0947-6539}, doi = {10.1002/chem.201700955}, author = {Bose, Suranjana and Debgupta, Joyashish and Ramsundar, Rani M. and Das, Samar K.} } @article {45734, title = {Electronic control on linear versus branched alkylation of 2-/3-aroylbenzofurans with acrylates: combined DFT and synthetic studies}, journal = {Chemistry-A European Journal}, volume = {23}, year = {2017}, month = {JUN }, pages = {7570-7581}, type = {Article}, abstract = {

Investigations on the factors that govern unusual branched alkylation of 2-aroylbenzofurans with acrylates by Ru-catalyzed carbonyl-directed C-H activation has been carried out by calculating the kinetics associated with the two key steps-the coordination of the acrylate with the intermediate ruthenacycle and the subsequent migratory insertion reaction-studied with the help of DFT calculations. Eight possible orientations for each mode of alkylation have been considered for the calculations. From these calculations, it has been understood that there is a synergistic operation of the steric and electronic effects favoring the branched alkylation. Further DFT investigations on the alkylation of the isomeric 3-aroylbenzofurans indicated a preference for the linear alkylation and this has been verified experimentally. Overall, the observed/calculated complementary selectivity in the alkylation of 2-/3-aroylbenzofurans with acrylates reveals that the substrate-dependent charge distribution of the Ru-C bond in the intermediate ruthenacycle is an important determining factor and thus the current work opens up a new domain of substrate design for controlling regioselectivity.

}, keywords = {acrylates, Alkylation, aroylbenzofuran, C-H activation, Density functional calculations}, issn = {0947-6539}, doi = {10.1002/chem.201700643}, author = {Srinivas, Kolluru and Dangat, Yuvraj and Kommagalla, Yadagiri and Vanka, Kumar and Ramana, Chepuri V.} } @article {43910, title = {Enantioselective synthesis of functionalized β-lactones by NHC-catalyzed aldol lactonization of ketoacids}, journal = {Journal of Organic Chemistry}, volume = {82}, year = {2017}, month = {AUG}, type = {Article}, abstract = {N-Heterocyclic carbene (NHC)-catalyzed intramolecular aldol lactonization of readily available ketoacids leading to the enantioselective synthesis of cyclopentane-fused β-lactones is presented. The reaction proceeds via the generation of NHC-bound enolate intermediates formed from the ketoacids in the presence of the peptide coupling reagent HATU and NHC generated from the chiral triazolium salt. The functionalized β-lactones are formed under mild conditions in high yields and enantioselectivities.}, doi = {10.1021/acs.joc.7b01526}, author = {Mondal, Santigopal and Mukherjee, Subrata and Das, Tamal Kanti and Gonnade, Rajesh G. and Biju, Akkattu T.} } @article {43846, title = {Enhanced proton conduction by post-synthetic covalent modification in a porous covalent framework}, journal = {Journal of Materials Chemistry A}, volume = {5}, year = {2017}, month = {JUL}, pages = {13659-13664}, type = {Article}, abstract = {A highly chemically stable porous covalent framework (PCF-1) based on ether linkages has been synthesized, which exhibits no loss up to similar to 500 degrees C along with retention of integrity under acidic, basic and oxidative reagent conditions. Owing to its thermal and chemical stability, post-synthetic covalent modification was executed for the introduction of pendant sulphonic acid (-SO3H) groups. The covalently modified compound (PCF-1-SO3H) presents a remarkably high conductivity (ca. 0.026 S cm(-1)), with an similar to 130 fold enhancement in proton conductivity over the parent compound. This value is comparable with those of commercially used Nafion-based proton conducting materials and stands as the highest known value in the regime of post-synthetically modified porous organic frameworks. It is noteworthy to mention that PCF-1 is stable in both acidic and alkaline media, which is not commonly observed for most of the porous materials trialed as proton conducting materials, including metal organic frameworks.}, doi = {10.1039/c7ta00964j}, author = {Samanta, Partha and Desai, Aamod V. and Anothumakkool, Bihag and Shirolkar, Mandar M. and Karmakar, Avishek and Kurungot, Sreekumar and Ghosh, Sujit K.} } @article {45724, title = {Environmentally benign bioderived carbon microspheres-supported molybdena nanoparticles as catalyst for the epoxidation reaction}, journal = {ACS Sustainable Chemistry \& Engineering}, volume = {5}, year = {2017}, month = {JAN}, pages = {904-910}, type = {Article}, abstract = {

A one pot synthesis of molybdenum oxide nanoparticles (NPs supported on bioderived carbon microspheres is reported. The catalyst was synthesized by the low temperature hydrothermal (LTH) method using D-glucose and bagasse as the carbon source. The carbonization of bagasse resulted in the formation of nonuniform carbon microspheres while glucose resulted in uniform carbon spheres. SEM and STEM elemental mapping show the uniform distribution of molybdenum oxide NPs over the carbon microspheres. XPS spectroscopy confirmed that molybdenum was in the Mo6+ oxidation state. The 1\% MoO3 supported on carbon microspheres derived from D-glucose showed excellent catalytic activity up to 100\% olefin conversion with 100\% epoxide selectivity using organic tent-butyl hydroperoxide as an oxidant. The catalyst was successfully used for up to five cycles without losing substantial activity and selectivity.

}, keywords = {Carbon microspheres, epoxidation, heterogeneous catalysis, Hydrothermal synthesis, TBHP}, issn = {2168-0485}, doi = {10.1021/acssuschemeng.6b02229}, author = {Doke, Dhananjay S. and Umbarkar, Shubhangi B. and Gawande, Manoj B. and Zbori, Radek and Biradar, Ankush V.} } @article {45715, title = {Estimating the lipophobic contributions in model membranes}, journal = {Journal of Physical Chemistry B}, volume = {121}, year = {2017}, month = {MAR }, pages = {2111-2120}, type = {Article}, abstract = {

The insertion and association of membrane proteins is critical in several cellular processes. These processes were thought to be protein-driven, but increasing evidence points toward an important role of the lipid bilayer. The lipid-mediated contribution has been shown to be important in the association of membrane peptides, but the corresponding {\textquoteleft}{\textquoteleft}lipophobic{\textquoteright}{\textquoteright} component has not been directly estimated. Here, we calculate the free energy of insertion for transmembrane peptides and estimate the lipophobic component from the cost of cavity formation. The free-energy calculations were performed using the coarse-grain Martini force field, which has been successful in predicting membrane protein interactions. As expected, the charged moieties have the least favorable free energy of insertion and the highest cost of cavity formation. A length dependence was observed in polyalanine peptides with the lipid-mediated component increasing nonlinearly with peptide length. Membrane fluidity was tested by varying the temperature, and opposing effects were observed for short and long peptides. The dependence of the lipid-mediated effects on peptide length and temperature was not uniform and gives valuable insight into the anisotropic nature of the membrane. The results are an important step in estimating membrane effects in protein insertion and association.

}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.6b09863}, author = {Dubey, Vikas and Prasanna, Xavier and Sengupta, Durba} } @article {43961, title = {Examination into the taxonomic position of Bacillus thermotolerans Yang et al., 2013, proposal for its reclassification into a new genus and species Quasibacillus thermotolerans gen. nov., comb. nov. and reclassification of B. encimensis Dastager et al., }, journal = {Systematic and Applied Microbiology}, year = {2017}, month = {SEP}, type = {Article}, abstract = {Two novel Gram-staining positive, rod-shaped, moderately halotolerant, endospore forming bacterial strains 5.5LF 38TD and 5.5LF 48TD were isolated and taxonomically characterized from a landfill in Chandigarh, India. The analysis of 16S rRNA gene sequences of the strains confirmed their closest identity to Bacillus thermotolerans SgZ-8T with 99.9\% sequence similarity. A comparative phylogenetic analysis of strains 5.5LF 38TD, 5.5LF 48TD and B. thermotolerans SgZ-8(T) confirmed their separation into a novel genus with B. badius and genus Domibacillus as the closest phylogenetic relatives. The major fatty acids of the strains are iso-C15:0 and iso-C16:0 and MK-7 is the only quinone. The major polar lipids are diphosphatidylglycerol, phosphatidylglycerol and phosphatidylethanolamine. The digital DNA-DNA hybridization (DDH) and ortho average nucleotide identity (ANI) values calculated through whole genome sequences indicated that the three strains showed low relatedness with their phylogenetic neighbours. Based on evidences from phylogenomic analyses and polyphasic taxonomic characterization we propose reclassification of the species B. thermotolerans into a novel genus named Quasibacillus thermotolerans gen. nov., comb. nov with the type strain SgZ-8(T) (=CCTCC AB2012108(T)=KACC 16706(T)). Further our analyses also revealed that B. encimensis SGD-V-25(T) is a later heterotypic synonym of Bacillus badius DSM 23(T).}, doi = {10.1016/j.syapm.2017.07.010}, author = {Verma, Ashish and Pal, Yash and Khatri, Indu and Ojha, Anup Kumar and Gruber-Vodicka, Harald and Schumann, Peter and Dastager, Syed Gulam and Subramanian, Srikrishna and Mayilraj, Shanmugam and Krishnamurthi, Srinivasan} } @article {43886, title = {Exploring the effect of hydroxylic and non-hydroxylic solvents on the reaction of [(VO)-O-IV(beta-diketonate)2] with 2-aminobenzoyl-hydrazide in aerobic and anaerobic conditions}, journal = {Dalton Transactions}, volume = {46}, year = {2017}, month = {SEP}, type = {Article}, abstract = {

Refluxing [(VO)-O-IV(beta-diketonate)(2)], namely [(VO)-O-IV(acetylacetonate)(2)] and [(VO)-O-IV(benzoylacetonate)(2)], separately with an equivalent or excess amount of 2-aminobenzoylhydrazide (ah) in laboratory grade (LG) CH3OH in aerobic conditions afforded non-oxidovanadium(IV) and oxidovanadium(V) complexes of the type [V-IV(L-1)(2)] (1), [(VO)-O-V(L-1)(OCH3)](2) (3) and [V-IV(L-2)(2)] (2), and [(VO)-O-V(L-2)(OCH3)] (4), respectively. (L-1)(2-) and (L-2)(2-) represent the dianionic forms of 2-aminobenzoylhydrazone of acetylacetone (H2L1) and benzoylacetone (H2L2), respectively, (general abbreviation, H2L), which was formed by the in situ condensation of ah with the respective coordinated [beta-diketonate] in medium-to-good yield. The yield of different resulting products was dependent upon the ratio of ah to [(VO)-O-IV(beta-diketonate)(2)]. For example, the yield of 1 and 2 complexes increased significantly associated with a decrease in the amount of 3 and 4 with an increase in the molar ratio of ah. Upon replacing CH3OH by a non-hydroxylic solvent, LG CHCl3, the above reaction yielded only oxidovanadium(V) complexes of the type [(VO)-O-V(L-1)(OH)](2) (5), [(VO)-O-V(L-2)(OH)] (6) and [(V2O3)-O-V(L)(2)] (7, 8) whereas, upon replacing CHCl3 by another non-hydroxylic solvent, namely LG CH3CN, only the respective [(V2O3)-O-V(L)(2)] (7, 8) complex was isolated in 72-78\% yield. However, upon performing the above reactions in the absence of air using dry CH3OH or dry CHCl3, only the respective [V-IV(L)(2)] complex was obtained, suggesting that aerial oxygen was the oxidising agent and the type of pentavalent product formed was dependent upon the nature of solvent used. Complexes 3 and 4 were converted, respectively, to 7 and 8 on refluxing in LG CHCl3 via the respective unstable complex 5 and 6. The DFT calculated change in internal energy (Delta E) for the reactions 2[(VO)-O-V(L-2)(OCH3)] + 2H(2)O -\> 2[(VO)-O-V(L-2)(OH)] + 2CH(3)OH and 2[(VO)-O-V (L-2)(OH)] -\> [(V2O3)-O-V(L-2)(2)] + H2O was, respectively, +3.61 and -7.42 kcal mol(-1), suggesting that the [(VO)-O-V(L-2) (OH)] species was unstable and readily transformed to the stable [(V2O3)-O-V(L-2)(2)] complex. Upon one-electron reduction at an appropriate potential, each of 7 and 8 generated mixed-valence [(L) (VO)-O-V-(mu-O)-OVIV(L)]species, which showed valence-delocalisation at room temperature and localisation at 77 K. Some of the complexes showed a wide range of toxicity in a dose-dependent manner against lung cancer cells comparable with that observed with cis-platin.

}, keywords = {Effective Core Potentials, Lung-cancer cells, Molecular-Orbital Methods, Non-oxido vanadium(iv), Non-Oxo, Oxovanadium(iv) Complexes, Tridentate ono ligand; Ray crystal-structure, Trigonal-prismatic Co-ordination, V-IV complex}, issn = {1477-9226}, doi = {10.1039/c7dt01776f}, author = {Biswas, Nirmalendu and Patra, Debashis and Mondal, Bipul and Bera, Sachinath and Acharyya, Swarnali and Biswas, Anup Kumar and Mukhopadhyay, Titas Kumar and Pal, Amrita and Drew, Michael G. B. and Ghosh, Tapas} } @article {44015, title = {Facile synthesis and electrochemical evaluation of PANI/CNT/MoS2 ternary composite as an electrode material for high performance supercapacitor}, journal = {Materials Science and Engineering B: Solid-State Materials for Advanced Technology}, volume = {23}, year = {2017}, month = {SEP}, pages = { 24-34}, type = {Journal Article}, abstract = {Synthesis of a novel ternary composite consisting of polyaniline (PANI), functionalized multi-walled carbon nanotubes (CNTs) and molybdenum disulfide (MoS2), via an in-situ polymerization method is reported. Detailed structural and electrochemical characterization shows that incorporation of a small amount of MoS2 in PANI/CNT composite tends to eliminate agglomeration problem of CNT. The PANI/CNT/MoS2 ternary composite reaches a specific capacitance of 350 F/g at the current density 1 A/g corresponding to a 5\% MoS2 content. This ternary composite shows good cycling stability even at a higher energy density of 10 A/g. Further, PANI/CNT/MoS2 composite electrode shows higher energy density (7.77 Wh/kg) and power density (2140 W/kg) as compared to PANI/CNT composite without MoS2.}, keywords = {MoS2, polyaniline, supercapacitor, Ternary Composite}, doi = {10.1016/j.mseb.2017.05.001}, author = {Thakur, A.K. and Deshmukh, A. B. and Choudhary, R. B. and Karbhal, I. and Majumder, M. and Shelke, M.V.} } @article {43849, title = {Facile synthesis and self-cleaning application of bimetallic (CuSn, CuNi) dendrites}, journal = {Chemistryselect}, volume = {2}, year = {2017}, month = {JUL}, pages = {5552-5563}, type = {Article}, abstract = {

Bimetallic dendrites (Au, Ag, Pt, Pd) have received intense research interest due to their applications in catalysis and sensing. However, reports on rational synthesis of non-noble bimetallic dendrites that finds self-cleaning applications are scanty. Here, we demonstrate one step co-reduction based galvanic replacement reaction (GRR) for synthesis of alloyed bimetallic dendrites (CuSn, CuNi) with controlled surface roughness and chemical composition. Probing their growth process reveals that i) for CuSn dendrites, co-reduction of Cu2+ and Sn2+ is observed throughout GRR; ii) for CuNi dendrites, Cu nanoparticle, that deposits initially, augments the reduction of Ni2+ which leads to CuNi alloy phase formation during later stages of GRR. These dendrites, naturally having dual degree of surface roughness (micro/nano), have been exploited here for fabricating superhydrophobic surfaces (SHS) with excellent self-cleaning abilities. They show enabling properties such as high contact angle, minimal contact angle hysteresis, and excellent Cassie state stability with no impalement. They maintain superhydrophobicity when exposed to different environmental conditions (low temperature, high temperature, exposure to corroding solutions and UV radiation). The present facile methodology for fabrication of bimetallic dendrites is beneficial for low-cost production of functional nano/micro-materials.

}, doi = {10.1002/slct.201700763}, author = {Biswas, Anupam and Kulkarni, Mayuresh A. and Bakthavatsalam, Rangarajan and Mondal, Sourik K. and Dwivedi, Pravin K. and Shelke, Manjusha V. and Devi, Radhamonyamma N. and Banpurkar, Arun G. and Kundu, Janardan} } @article {43335, title = {Facile synthesis of 3D anode assembly with Si nanoparticles sealed in highly pure few layer graphene deposited on porous current collector for long life Li-Ion battery}, journal = {Advanced Materials Interfaces}, volume = {4}, year = {2017}, month = {MAR}, pages = {Article Number: 1601043}, type = {Article}, abstract = {With its exceptional theoretical charge capacity, silicon holds great promise as an anode material for realization of high energy density Li-ion batteries. However, extensive volume expansion and poor cycle stability of silicon compromise its actual use. In an effort to tame volume expansion and structural disintegration during cycling, an innovative 3D electrode assembly is fabricated involving continuous layer of graphene coated on porous current collector and Si nanoparticles sealed in as an active material. Graphene deposition and pore formation in metal current collector is achieved in a unique single step synthesis. All the active components like current collector, reacting material, and conducting material are manipulated in a way to produce synergistic architecture in a chemical vapor deposition process. Highly pure graphene deposited in this process enables efficient electron transfer from allover of the surface of silicon nanoparticles and prevents continuous solid electrolyte interphase layer formation. This binder free anode assembly shows extremely stable lithium storage performance for over 1000 cycles with 88\% of initial capacity retention and 100\% Coulombic efficiency.}, doi = {10.1002/admi.201601043}, author = {Shelke, Manjusha V. and Gullapalli, Hemtej and Kalaga, Kaushik and Rodrigues, Marco and Devarapalli, Rami Reddy and Vajtai, Robert and Ajayan, Pulickel M.} } @article {44138, title = {Facile synthesis of Al2O3-Pt nanocomposite and its catalytic activity}, journal = {Materials Research Express}, volume = {4}, year = {2017}, month = {NOV}, pages = {Article Number: 115002}, type = {Article}, abstract = {Pt nanoparticles were synthesized on gamma-alumina support in presence of oleic acid which was found to prevent clustering of Pt nanoparticles on the support. Various percentage of Pt loading on the alumina changed the catalytic activity for preferential oxidation of CO at relatively low temperature in H-2 rich stream. Pt nanoparticles when synthesized in absence of oleic acid, were all clustered and did not have any catalytic activity. The presence of oleic acid promoted stability preventing agglomeration of Pt nanoparticles. The catalyst thus prepared was characterized thoroughly and their catalytic activity was studied in details.}, doi = {10.1088/2053-1591/aa9441}, author = {Das, Subhasis and Bordoloi, Ankur and Ghosalya, Manoj Kumar and Gopinath, Chinnakonda S. and Bala, Tanushree} } @article {43835, title = {ffects of cations, anions and H+ concentration of acidic ionic liquids on the valorization of polysaccharides into furfural}, journal = {New Journal of Chemistry}, volume = {41}, year = {2017}, month = {JUL}, pages = {6137-6144}, type = {Article}, abstract = {The valorization of hemicellulose into valuable chemicals, such as C5 sugars and furfural, in a one-pot fashion is crucial. In this work, acidic ionic liquids in the presence of water showed high yields of C5 sugars (>80\%) with >99\% conversion of hemicelluloses at 160 degrees C. With a water + toluene biphasic solvent system, within 4 h, an 85\% furfural yield was obtained directly from hemicellulose in a one-pot fashion using a catalytic amount of 1-methyl-3-(3-sulfopropyl)-imidazolium hydrogen sulfate. It was seen that Bronsted acidic ionic liquids (BAILs) perform better than solid acid [Faujasite and Mordenite zeolites; ion exchange resin, Amberlyst-15] and mineral catalysts [HCl and H2SO4]. The higher activity of BAILs compared to solid acids and mineral acids was correlated to the Hammett acidity function (Ho) and ion-dipole type of interactions. The catalysts were characterized using NMR (H-1 and C-13), elemental analysis and TGA to confirm that they were stable under reaction conditions and were thus recyclable.}, doi = {10.1039/c7nj00342k}, author = {Matsagar, Babasaheb M. and Dhepe, Paresh L.} } @article {42948, title = {From lignocellulosic biomass to furfural: insight into the active species of a silica-supported tungsten oxide catalyst}, journal = {ChemCatChem}, volume = {9}, year = {2017}, month = {JUL}, pages = {2709-2716}, type = {Article}, abstract = {

A sol{\textendash}gel-synthesized silica-supported tungsten oxide catalyst that has Lewis acidity was characterized and employed as a solid acid catalyst in the synthesis of furfural directly from lignocellulosic biomass (isolated xylans and crop wastes). In a one-pot method, 71 \% furfural formation from isolated xylan was possible using a water/toluene (1:2 v/v) biphasic solvent system at 170 {\textdegree}C after 10 h over 10 wt \% WO3/SiO2. The WO3/SiO2 catalyst in the selective conversion of pentosan from crop wastes (bagasse, wheat straw, and rice husk) yielded 72{\textendash}87 \% furfural under the optimum reaction conditions. Additionally, the catalyst presented excellent recyclability in at least eight runs after simple water washing. From the catalyst characterization studies, it was suggested that silicotungstic-type acid species are anchored on the WO3/SiO2 catalyst that help to achieve a good catalytic activity.

}, doi = {10.1002/cctc.201600784}, author = {Bhaumik, Prasenjit and Dhepe, Paresh Laxmikant} } @article {45736, title = {Functional stability and structural transitions of kallikrein: spectroscopic and molecular dynamics studies}, journal = {Journal of Biomolecular Structure \& Dynamics}, volume = {35}, year = {2017}, month = {MAR}, pages = {330-342}, type = {Article}, abstract = {

Kallikrein, a physiologically vital serine protease, was investigated for its functional and conformational transitions during chemical (organic solvents, Gdn-HCl), thermal, and pH induced denaturation using biochemical and biophysical techniques and molecular dynamics (MD) simulations approach. The enzyme was exceptionally stable in isopropanol and ethanol showing 110\% and 75\% activity, respectively, after 96h, showed moderate tolerance in acetonitrile (45\% activity after 72h) and much lower stability in methanol (40\% activity after 24h) (all the solvents [90\% v/v]). Far UV CD and fluorescence spectra indicated apparent reduction in compactness of KLKp structure in isopropanol system. MD simulation studies of the enzyme in isopropanol revealed (1) minimal deviation of the structure from native state (2) marginal increase in radius of gyration and solvent accessible surface area (SASA) of the protein and the active site, and (3) loss of density barrier at the active site possibly leading to increased accessibility of substrate to catalytic triad as compared to methanol and acetonitrile. Although kallikrein was structurally stable up to 90 degrees C as indicated by secondary structure monitoring, it was functionally stable only up to 45 degrees C, implicating thermolabile active site geometry. In GdnHCl [1.0M], 75\% of the activity of KLKp was retained after incubation for 4h, indicating its denaturant tolerance. A molten globule-like structure of KLKp formed at pH 1.0 was more thermostable and exhibited interesting structural transitions in organic solvents. The above results provide deeper understanding of functional and structural stability of the serine proteases at molecular level.

}, keywords = {isopropanol tolerance, Kallikrein, MD Simulation, Molten globule, Serine protease, Thermostability}, issn = {0739-1102}, doi = {10.1080/07391102.2016.1138884}, author = {Dalal, Sayli and Mhashal, Anil and Kadoo, Narendra and Gaikwad, Sushama M.} } @inbook {45817, title = {Fungal differentiation: a model phenomenon to screen antifungal drugs}, booktitle = {Developments in Fungal Biology and Applied Mycology}, year = {2017}, pages = { 227-246}, publisher = {Springer}, organization = {Springer}, chapter = {Fungal differentiation: A model phenomenon to screen antifungal drugs}, address = {Singapore}, abstract = {Pathogenic fungi change the morphology to a suitable vegetative form such as unicellular yeast or filamentous mycelium for the survival and proliferation in the host as well as to defeat cellular and physiological defences of the host. The microenvironment of the pathogen triggers different biochemical processes finally leading to differentiation. These biochemical processes, which correlate with morphological change from saprophytic/less virulent to pathogenic form, can be targeted for the development of novel antifungal agents. The present chapter deals with the role of differentiation in fungal pathogenesis and discusses different biochemical events as target for the antifungal strategies.}, isbn = {978-981-10-4767-1}, doi = {10.1007/978-981-10-4768-8_12}, author = {Pathan, E.K. and Tupe, S.G. and Deshpande, M.V.} } @inbook {45818, title = {Genetically engineered crops: Opportunities, constraints, and food security at a glance of human health, environmental impact, and food quality}, booktitle = {Genetically Engineered Foods}, volume = {6}, year = {2017}, pages = {311-334}, publisher = {Elsevier Inc.}, organization = {Elsevier Inc.}, edition = {1st}, chapter = {Genetically engineered crops: Opportunities, constraints, and food security at a glance of human health, environmental impact}, address = {Singapore}, abstract = {

Genetic modification (GM) is an incredible technology and it will be among the top 10 technologies developed in the 20th century. People believe that GM technology will answer the future food demand and enable the world to feed millions of people; however, there are apprehensions about the impact of GM crops on human health, the environment, and food quality. Due to the controversy over GM crops, it is important to think about their economic and social effects. GM plants are likely to have increased nutrient levels, produce pharmaceuticals, and show resistance to disease, cold, and drought, and thus increase food security. Conversely, they may also lead to the emergence of new allergens. When thinking about food quality, these crops have the ability to generate more nutritious varieties, which may be of benefit to malnourished populations. However, with the exception of Golden Rice (which was developed to face vitamin A deficiency) achievements in this field are a long way off. These crops also have the potential to have a positive environmental impact as herbicide-tolerant plants can be cultivated on all types of land; however, this also brings about the possibility of generating herbicide-resistant weeds. Overall, GM crops can increase incomes for farmers and aid in drug production; however, care should be taken before releasing GM crops into the environment because once they are planted there will be no turning back.

}, isbn = {978-0-12-811519-0}, doi = {10.1016/B978-0-12-811519-0.00012-1}, author = {Dawkar, V.V. and , Chougale, A.D., and Barvkar, V.,} } @article {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 {44017, title = {Hydrogen production from reforming of biogas: review of technological advances and an Indian perspective}, journal = {Renewable and Sustainable Energy Reviews}, volume = {76}, year = {2017}, month = {SEP}, pages = {1032-1052}, type = {Journal Article}, abstract = {

This paper examines the benefits and potential of biogas generation and uses in India, with focus on advances made in hydrogen production by catalytic reforming technologies with steam, O2, and CO2 as the oxidants. Utilization of biomass by means of generating biogas is one of the easiest and cost effective methods of harnessing renewable energy. As India is an agricultural country, a tremendous amount of biomass and livestock waste is generated every year. Likewise the large population of India generates much food and municipal solid waste that is not being utilized for biogas generation. Fuel cells are one of the effective means of utilizing biogas, although the synthesis gas or hydrogen generated from biogas can also be used in internal combustion engines. Higher efficiency of fuel cells (45\%) compared to internal combustion engines (30\%) and even higher with co-generation systems (70\%) make them highly desirable for biogas utilization for power generation. Investigations of hydrogen productionfor fuel cell use are in their infancy stage in India. Apart from a few scattered investigations not much work has been undertaken in the area of research. Large scale hydrogen production is achieved by steam reforming of hydrocarbons, in particular natural gas. Although the process is a proven technology it has come under considerable scrutiny due to its environmental impact and the energy intensive nature of the process. Several technical and scientific challenges have to be overcome for assimilation of the technology for hydrogen production from biogas and wide scale application in India. These challenges include development of less energy intensive features, highly active and poisons-resistant catalyst, and fuel cell development for utilization of biogas generated hydrogen. Hydrogen production from reforming of biogas: Review of technological advances and an Indian perspective. Available from: https://www.researchgate.net/publication/315896154_Hydrogen_production_from_reforming_of_biogas_Review_of_technological_advances_and_an_Indian_perspective [accessed Oct 16 2017].

}, doi = {10.1016/j.rser.2017.02.031}, author = {Nahar, G. and Mote, D. and V. Dupont} } @article {43744, title = {Identification and synthesis of mycalol analogues with improved potency against anaplastic thyroid carcinonia cell lines}, journal = {Journal of Natural Products}, volume = {80}, year = {2017}, month = {APR}, pages = {1125-1133}, type = {Article}, abstract = {The marine metabolite mycalol (1) has a specific inhibitory activity on cells of anaplastic thyroid carcinoma (ATC), a very aggressive and rare cancer that does not have effective conventional therapy. In this study, we describe six new related analogues (2-7) that differ in the length of the terminal alkyl residue and the presence of acetate or 3S-hydroxybutyrate (3S)-3HB as a substituent at C-19. Despite the structural{\textquoteright} analogies, some of the new members were significantly more-cytotokic than 1 on cell lines,derivecl from human ATC. Structures inclusive of the 2{\textquoteright}R,3R,4S,7R,8S,19R absolute configuration were asigned to 2-7 on the basis of detailed spectroscopic analysis, synthesis of different isomers, and application of ECD and Mosher{\textquoteright}s methods. This work led to the identification of mycal61-578 (3) as the most potent analogue, with an IC50 of 2.3 mu M on FRO cells:}, doi = {10.1021/acs.jnatprod.7b00043}, author = {Cutignano, Adele and Seetharamsingh, B. and D{\textquoteright}Angelo, Daniela and Nuzzo, Genoveffa and Khairnar, Pankaj V. and Fusco, Alfredo and Reddy, D. Srinivasa and Fontana, Angelo} } @article {43855, title = {Improved tolerance against helicoverpa armigera in transgenic tomato over-expressing multi-domain proteinase inhibitor gene from capsicum annuum}, journal = {Physiology and Molecular Biology of Plants}, volume = {23}, year = {2017}, month = {JUL}, pages = {597-604}, type = {Article}, abstract = {Plant proteinase inhibitors (PIs) are plant defense proteins and considered as potential candidates for engineering plant resistances against herbivores. Capsicum annuum proteinase inhibitor (CanPI7) is a multi-domain potato type II inhibitor (Pin-II) containing four inhibitory repeat domains (IRD), which target major classes of digestive enzymes in the gut of Helicoverpa armigera larvae. Stable integration and expression of the transgene in T1 transgenic generation, were confirmed by established molecular techniques. Protein extract of transgenic tomato lines showed increased inhibitory activity against H. armigera gut proteinases, supporting those domains of CanPI7 protein to be effective and active. When T1 generation plants were analyzed, they exhibited antibiosis effect against first instar larvae of H. armigera. Further, larvae fed on transgenic tomato leaves showed delayed growth relative to larvae fed on control plants, but did not change mortality rates significantly. Thus, better crop protection can be achieved in transgenic tomato by overexpression of multi-domain proteinase inhibitor CanPI7 gene against H. armigera larvae.}, doi = {10.1007/s12298-017-0456-5}, author = {Tanpure, Rahul S. and Barbole, Ranjit S. and Dawkar, Vishal V. and Waichal, Yashashree A. and Joshi, Rakesh S. and Giri, Ashok P. and Gupta, Vidya S.} } @article {43857, title = {Influence of preparation method on activity and stability of Ni catalysts supported on Gd doped ceria in dry reforming of methane}, journal = {Journal of CO2 Utilization}, volume = {20}, year = {2017}, month = {JUL}, pages = {357-367}, type = {Article}, abstract = {Nickel catalysts supported on Gd doped ceria (NGDC), with various Ni content, were prepared through different preparation routes and evaluated for dry reforming of methane (DRM). Their detailed characterization revealed that method of preparation plays an important role in Ni dispersion, with catalysts prepared through co-precipitation showing high Ni dispersion. The co-precipitated 12NGDC-cp catalyst with 12 wt\% NiO was found to be superior in terms of high CO2 and CH4 conversions compared to catalysts prepared through citrate gel or impregnation methods Even H-2 and CO yields are high on this catalyst, while it shows excellent durability with stable activity even after 100 h on-stream. Thermogravimetric analysis of spent catalyst showed presence of coke, with transmission electron microscopic studies pointing to the presence of Ni crystallites at the mouth of the carbon whiskers. These Ni crystallites appear to be still active for DRM reaction. Among the spent catalysts, the carbon formation was high on catalysts that have bigger Ni crystallites, with the catalysts prepared through impregnation and citrate gel methods having higher coke. Investigations also reveal that the conversion of active (amorphous) carbon into stable (graphitic) carbon depends on the Ni crystallite size, temperature and duration of the reaction. These studies demonstrate that Gd doped ceria is a good support for Ni, to obtain high DRM activity and very good on-stream stability provided the catalysts are prepared through an appropriate method.}, doi = {10.1016/j.jcou.2017.06.014}, author = {Gurav, Hanmant R. and Dama, Srikanth and Samuel, Violet and Chilukuri, Satyanarayana} } @article {43651, title = {Influence of thermocleavable functionality on organic field-effect transistor performance of small molecules}, journal = {Chemical Physics Letters}, volume = {678}, year = {2017}, month = {JUN}, pages = {139-145}, abstract = {Diketopyrrolopyrrole based donor-acceptor-donor conjugated small molecules using ethylene dioxythiophene as a donor was synthesized. Electron deficient diketopyrrolopyrrole unit was substituted with thermocleavable (tert-butyl acetate) side chains. The thermal treatment of the molecules at 160 degrees C eliminated the tert-butyl ester group results in the formation of corresponding acid. Optical and theoretical studies revealed that the molecules adopted a change in molecular arrangement after thermolysis. The conjugated small molecules possessed p-channel charge transport characteristics in organic field effect transistors. The charge carrier mobility was increased after thermolysis of tert-butyl ester group to 5.07 x 10(-5) cm(2)/Vs. (C) 2017 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.cplett.2017.04.041}, author = {Mahale, Rajashree Y. and Dharmapurikar, Satej S. and Chini, Mrinmoy Kumar and Venugopalan, Vijay} } @article {43741, title = {Interplaying anions in a supramolecular metallohydrogel to form metal organic frameworks}, journal = {Chemical Communications}, volume = {53}, year = {2017}, month = {APR}, pages = {3705-3708}, type = {Article}, abstract = {The remarkable effect of anions on the transition from supramolecular gels to crystalline phases has been described. An amino acid-based metallohydrogel was transformed into different metal-organic frameworks through the selective picking of anions. The metallohydrogel and the resulting metal-organic frameworks (MOFs) were thoroughly characterized. The results demonstrated controlled access over the binding of a particular anion to selectively form a particular MOF.}, doi = {10.1039/c7cc00539c}, author = {Karak, Suvendu and Kumar, Sushil and Bera, Saibal and Diaz Diaz, David and Banerjee, Subhrashis and Vanka, Kumar and Banerjee, Rahul} } @article {43942, title = {Investigation into the taxonomy of {\textquotedblleft} B. aminovorans{\textquotedblright} and its reclassification to the genus Domibacillus as Domibacillus aminovorans sp. nov.}, journal = {Systematic and Applied Microbiology}, volume = {40 }, year = {2017}, month = {AUG}, pages = {458-467}, type = {Article}, abstract = {The species "Bacillus aminovorans" was categorized as species Incertae Sedis meaning taxa with uncertain taxonomic position because of insufficient description of phenotypic properties and lack of understanding of its phylogenetic relationship (Claus and Berkeley [5]). In this study two strains "B. aminovorans" DSM 1314T and DSM 4337 were phenotypically and phylogenomically analyzed. The strains are Gram-staining-positive, spore forming rods and unable to utilize/ferment most of the sugars tested except glucose. The major fatty acids are anteiso-C15:0 and iso-C15:0. The major polar lipids are diphosphatidylglycerol, phosphatidylglycerol and an aminophosphoglycolipid. The cell wall peptidoglycan is of A1γ type with meso-Dpm as the diamino acid. The menaquinone type present is MK-6. The G+C content of the genomic DNA of the type strain is 40.8mol\%. These characteristics were found to be in line with description of the genus Domibacillus. Moreover phylogenetic analysis based on 16S rRNA gene sequence retrieved "B. aminovorans" within the genus Domibacillus with D. antri XD 80T as the closest relative. Additionally genome sequencing of the strains and their comparison with whole genome sequences of other Domibacillus spp. confirmed their distinctiveness and separate species status within the genus based on parameters of genome to genome distance calculator (GGDC) and average nucleotide identity (ANI) values. Therefore a novel species Domibacillus aminovorans sp. nov. (DSM 1314T =LMG 16796T) is proposed.}, keywords = {16S rRNA, Domibacillus aminovorans, MALDI-TOF, {\textquoteleft}{\textquoteleft}Bacillus aminovorans{\textquoteright}{\textquoteright}}, issn = {0723-2020}, doi = {10.1016/j.syapm.2017.07.003}, author = {Verma, Ashish and Ojha, Anup Kumar and Pal, Yash and Kumari, Parveen and Schumann, Peter and Gruber-Vodicka, Harald and Dastager, Syed Gulam and Natarajan, Ramesh Kumar and Mayilraj, Shanmugam and Krishnamurthi, Srinivasan} } @article {43660, title = {Isolation and characterization of 9-lipoxygenase and epoxide hydrolase 2 genes: insight into lactone biosynthesis in mango fruit (Mangifera indica L.)}, journal = {Phytochemistry}, volume = {138}, year = {2017}, month = {JUN}, pages = {65-75}, abstract = {Uniqueness and diversity of mango flavour across various cultivars are well known. Among various flavour metabolites lactones form an important class of aroma volatiles in certain mango varieties due to their ripening specific appearance and lower odour detection threshold. In spite of their biological and biochemical importance, lactone biosynthetic pathway in plants remains elusive. Present study encompasses quantitative real-time analysis of 9-lipoxygenase (Mi9LOX), epoxide hydrolase 2 (MiEH2), peroxygenase, hydroperoxide lyase and acyl-CoA-oxidase genes during various developmental and ripening stages in fruit of Alphonso, Paid and Kent cultivars with high, low and no lactone content and explains their variable lactone content. Study also covers isolation, recombinant protein characterization and transient over-expression of Mi9LOX and MiEH2 genes in mango fruits. Recombinant Mi9LOX utilized linoleic and linolenic acids, while MiEH2 utilized aromatic and fatty acid epoxides as their respective substrates depicting their role in fatty acid metabolism. Significant increase in concentration of delta-valerolactone and gamma-decalactone upon Mi9LOX over-expression and that of delta-valerolactone, gamma-hexalactone and delta-hexalactone upon MiEH2 over-expression further suggested probable involvement of these genes in lactone biosynthesis in mango. (C) 2017 Elsevier Ltd. All rights reserved.}, doi = {10.1016/j.phytochem.2017.03.002}, author = {Deshpande, Ashish B. and Chidley, Hemangi G. and Oak, Pranjali S. and Pujari, Keshav H. and Giri, Ashok P. and Gupta, Vidya S.} } @article {45770, title = {Kocuria indica sp. nov., isolated from a sediment sample (vol 64, pg 869, 2014)}, journal = {International Journal of Systematic and Evolutionary Microbiology}, volume = {67}, year = {2017}, month = {MAY}, pages = {1620}, type = {Correction}, chapter = {1620}, issn = {1466-5026}, doi = {10.1099/ijsem.0.002077}, author = {Dastager, Syed G. and Tang, Shan-Kun and Srinivasan, Krishnamurthi and Lee, Jae-Chan and Li, Wen-Jun} } @article {43715, title = {L-Proline functionalized dicationic framework of bifunctional mesoporous organosilica for the simultaneous removal of lead and nitrate ions}, journal = {ACS Sustainable Chemistry \& Engineering}, volume = {5}, year = {2017}, month = {MAY}, pages = {4188-4196}, type = {Article}, abstract = {A novel bifunctional mesoporous organosilica, PEG-functionalized bis-prolinium chloride bridged mesoporous organosilica (BPBMO) was synthesized by reacting the precursor, PEG-functionalized bis-prolinium chloride bridged organosilane (BPRIL) with tetraethyl orthosilicate (TEOS) in the presence of surfactant. The chemical conformation of BPBMO was investigated by using Fourier transform infrared (FTIR), thermogravimentric analysis (TGA), C-13, and Si-29 cross-polarization/magic angle spinning (CP/MAS) NMR techniques. The characterization represents PEG-linked-prolinium (-N+Cl-) and carboxyl (-COOH) entities, constructing the dicationic framework through siloxane (Si-O-Si) linkages. The pore-wall distribution and the periodicity of BPBMO retained during the synthesis were examined by small-angle X-ray scattering (SAXS), Brunauer-Emmett-TellerBarrett-Joyner-Halenda (BET-BJH), and transmission electron microscopy (TEM) techniques. The results revealed BPBMO as a spherical shaped solid (50-100 nm) having mesopore channels hexagonally arranged with interparticle porosity (S-BET = 487 m(2)/g and D-BJH = 5.1 nm). The material has provided active binding sites for the simultaneous removal of NO3- and Pb2+ ions when introduced in the aqueous solutions of Pb(NO3)(2) (50 mg/L, pH 6). The removal of NO3- by ion-exchange with prolinium (-N+Cl-) entities and the electrostatic interaction of Pb2+ with carboxylate (-COO-) group were characterized by using Raman spectroscopy, ion chromatography, and X-ray photoelectron spectroscopy (XPS) technique. The maximum removal of NO3- and Pia{\textquoteright} ions were achieved within 1 h of the adsorption reaction. The adsorption has followed the Langmuir isotherm model with the adsorption capacities (q(m)) of 23.04 and 21.92 mg/g for NO3- and Pb2+ ions, respectively. The efficiency of the adsorbent was also compared with other adsorbents. Further, the BPBMO material has depicted three consecutive adsorption/desorption cycles with negligible loss in the structural conformation.}, doi = {10.1021/acssuschemeng.7b00132}, author = {Dinker, Manish K. and Ajithkumar, Thalasseril G. and Kulkarni, Prashant S.} } @article {43969, title = {Magnetic studies of SiO2 coated CoFe2O4 nanoparticles}, journal = {Journal of Magnetism and Magnetic Materials}, volume = {441}, year = {2017}, month = {NOV}, pages = { 683-690}, type = {Journal Article}, abstract = {Oleic acid capped CoFe2O4 nanoparticles which exhibit a high coercivity of \~{}9.47 kOe at room temperature were coated with a robust coating of SiO2. We have used chemical synthesis method to obtain SiO2 coated CoFe2O4 nanoparticles with different weight percentages of CoFe2O4 in SiO2 (1.5, 3.1 and 4.8 wt.\%). The morphological investigation of the coated nanoparticles by transmission electron microscopy shows that the particles are spherical with average size \~{}160 nm. Infrared spectroscopy reveals that oleic acid capping on the surface of CoFe2O4 nanoparticles is retained after silica coating process. The complete coating of SiO2 on CoFe2O4 nanoparticles is confirmed by X-ray photoelectron spectroscopy as there is no signature of cobalt or iron ions on the surface. Magnetic measurements show that coercivity of SiO2 coated CoFe2O4 particles remains more or less unaffected as in CoFe2O4 nanoparticles at room temperature. In addition, the temperature dependent magnetic measurements show that at 5 K the CoFe2O4 and SiO2 coated 1.5 wt.\% CoFe2O4 samples exhibit a very high value of coercivity (\~{}20 kOe) which is more than twice as compared to room temperature coercivity value (\~{}9.47 kOe). We conclude that silica coating in our study does not significantly affect the coercivity of CoFe2O4 nanoparticles.}, keywords = {Coatings, coercive force, High Resolution Transmission Elctron Microscopy, infrared spectroscopy, Magnetic materials}, doi = { 10.1016/j.jmmm.2017.06.061}, author = {Limaye, M.V.}, editor = {Singh, S.B.} } @article {44139, title = {Mass spectrometry based identification of galectin-3 interacting proteins potentially involved in lung melanoma metastasis}, journal = {Molecular Biosystems}, volume = {13}, year = {2017}, month = {NOV}, pages = {2303-2309}, type = {Article}, abstract = {Adhesive interactions between molecules on tumor cells and those on target organs play a key role in organ specific metastasis. Poly-N-acetyl-lactosamine (polyLacNAc) substituted N-oligosaccharides on melanoma cell surface glycoproteins promote lung specific metastasis via galectin-3 by facilitating their arrest and extravasation. This study reports the identification and characterization of galectin-3 interacting proteins using a combination of galectin-3 sepharose affinity and leucoagglutinating phytohemagglutinin (L-PHA) columns. A total of 83 proteins were identified as galectin-3 interacting glycoproteins, of which 35 were constituents of the L-PHA bound fraction, suggesting that these proteins carry polyLacNAc substituted beta 1,6 branched N-glycans. The identities of some of these proteins, like LAMP-1, LAMP-3, basigin, embigin, and alpha 5 and beta 1 Integrin, have been confirmed by western blotting, and functional relevance with respect to metastatic properties has been established.}, doi = {10.1039/c7mb00260b}, author = {Dange, Manohar C. and Bhonsle, Hemangi S. and Godbole, Rashmi K. and More, Shyam K. and Bane, Sanjay M. and Kulkarni, Mahesh J. and Kalraiya, Rajiv D.} } @article {43868, title = {Metal free mild and selective aldehyde cyanosilylation by a neutral penta-coordinate silicon compound}, journal = {Chemical Communications}, volume = {53}, year = {2017}, month = {JUN}, abstract = {This study demonstrates the preparation and structural characterization of a Si(IV) hydride (PhC(NtBu)(2)SiH(CH3)Cl) (1) and its use as a catalyst for the cyanosilylation of a variety of aldehydes. Compound 1 represents the first neutral penta-coordinate silicon(IV) species that catalyzes cyanosilylation of aldehydes under mild conditions.}, doi = {10.1039/c7cc03948d}, author = {Swamy, V. S. V. S. N. and Bisai, Milan Kumar and Das, Tamal and Sen, Sakya S.} } @article {43803, title = {Method for the analysis of free carbenes present after NHC-organocatalyzed transformations}, journal = {European Journal of Organic Chemistry}, year = {2017}, month = {AUG}, pages = {4500-4506}, type = {Article}, abstract = {In N-heterocyclic carbene (NHC) based organocatalysis, usually, the free carbene is generated in situ by treatment of the azolium salt with a base. Described herein is a method for the analysis of the NHC present in the reaction flask after the NHC-organocatalyzed reaction. For this, the reaction mixture was treated with elemental sulfur after the reaction and the thus-formed thiourea/thione derivative was isolated. Common NHC-catalyzed transformations such as benzoin reactions, Stetter reactions, homoenolate annulation reactions, and reactions proceeding via the ,-unsaturated acylazolium intermediate have been studied. The results indicate that after the reactions, 28-84\% of the initial carbenes exist in the free form.}, doi = {10.1002/ejoc.201700903}, author = {Das, Tamal Kanti and Biju, Akkattu T.} } @article {44140, title = {Methylglyoxal attenuates insulin signaling and downregulates the enzymes involved in cholesterol biosynthesis}, journal = {Molecular Biosystems}, volume = {13}, year = {2017}, month = {NOV}, pages = {2338-2349}, type = {Article}, abstract = {

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

}, doi = {10.1039/c7mb00305f}, author = {Deshmukh, Arati B. and Bai, Shakuntala and Aarthy, T. and Kazi, Rubina S. and Banarjee, Reema and Rathore, Rajeshwari and Vijayakumar, M. V. and H. V. Thulasiram and Bhat, Manoj Kumar and Kulkarni, Mahesh J.} } @article {43356, title = {Micelles versus Ribbons: how congeners drive the self-assembly of acidic sophorolipid biosurfactants}, journal = {ChemPhysChem}, year = {2017}, month = {MAR}, pages = {643-652}, type = {Journal }, abstract = {

Sophorolipids (SLs), a class of microbially derived biosurfactants, are reported by different research groups to have different self-assembled structures (either micelles or giant ribbons) under the same conditions. Here we explore the reasons behind these contradictory results and attribute these differences to the role of specific congeners that are present in minute quantities. We show that a sample composed of a majority of oleic acid (C18:1) sophorolipid in the presence of only 0.5 \% (or more) of congeners with stearic acid (C18:0) or linoleic acid (C18:2) results in the formation of micelles that are stable over long periods of time. Conversely, the presence of only 10 to 15 \% of congeners with a stearic acid chain gives fibrillar structures instead of micelles. To study the mechanisms responsible, oleic acid SLs devoid of any other congeners were prepared. Very interestingly, this sample can self-assemble into either micelles or fibers depending on minute modifications to the self-assembly conditions. The findings are supported by light scattering, small-angle X-ray scattering, transmission electron microscopy under cryogenic conditions, high-pressure liquid chromatography, and NMR spectroscopy.

}, doi = {10.1002/cphc.201601323}, author = {Dhasaiyan, Prabhu and Griel, Patrick Le and Roelants, Sophie and Redant, Emile and Bogaert, Inge N. A. Van and Prevost, Sylvain Francois and Prasad, Bhagavatula L. V. and Baccile, Niki} } @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 {44020, title = {Microvirga indica sp. Nov., an arsenite-oxidizing alphaproteobacterium, isolated from metal industry waste soil}, journal = {International Journal of Systematic and Evolutionary Microbiology}, volume = {67}, year = {2017}, month = {SEP}, pages = {3525-3531}, type = {Journal Article}, abstract = {A novel Gram-stain-negative bacterium, strain S-MI1bT, belonging to the genus Microvirga was isolated from a metal industry waste soil sample in Pirangut village, Pune District, Maharashtra, India. Cells were non-spore-forming, small rod-shapes, motile and strictly aerobic with light-pink colonies. The strain grew in 0-7.0 \% (w/v) NaCl and at 25-45 {\textdegree}C, with optimal growth at 40 {\textdegree}C. The predominant fatty acids detected were summed feature 8 (C18 : 1 ω7c and/or C18 : 1 ω6c) and C19 : 0 cyclo ω8c. The predominant isoprenoid quinone was Q-10. The G+C content was 67.2 mol\% and DNA-DNA relatedness values between strain S-MI1bTand Microvirga subterranea DSM 14364T and Microvirgaaerophila 5420S-12T were 53.9 and 54.8 \%, respectively. Phylogenetic analysis, based on 16S rRNA gene sequences, indicated that strain S-MI1bT is a member of the genus Microvirga, with greatest sequence similarities of 97.7 and 97.4 \% with M. subterranea DSM 14364T and M.aerophila 5420S-12T, respectively. Phylogenetic analysis showed that strain S-MI1bT forms a clade with the type strain of M. subterranea DSM 14364T, and was readily distinguishable from it due to various phenotypic characteristics. The combination of genotypic and phenotypic data suggests that the isolate represents a novel species of the genus Microvirga, for which the name Microvirga indica sp. nov. is proposed. The type strain is S-MI1bT (=NCIM-5595T=KACC 18792T=BCRC 80972T)}, doi = { 10.1099/ijsem.0.002157}, author = {Tapase, S. R.}, editor = {Mawlankar, R. B.} } @article {43878, title = {Mixed-stack charge transfer crystals of pillar[5]quinone and tetrathiafulvalene exhibiting ferroelectric features}, journal = {Chemistry- A European Journal }, volume = {23}, year = {2017}, month = {SEP}, chapter = {12630-12635}, abstract = {

Ferroelectric materials find extensive applications in the fabrication of compact memory devices and ultra-sensitive multifunctional detectors. Face-to-face alternate stacking of electron donors and acceptors effectuate long-range unidirectional ordering of charge-transfer (CT) dipoles, promising tunable ferroelectricity. Herein we report a new TTF-quinone system-an emerald green CT complex consisting pillar[5]quinone (P5Q) and tetrathiafulvalene (TTF). The CT crystals, as determined by single crystal synchrotron X-ray diffraction, adopt a 1:1 mixed-stack arrangement of donor and acceptor with alternating dimers of TTF and 1,4-dioxane encapsulated P5Q. The TTF-P5Q.dioxane crystal possesses a macroscopic polarization axis giving rise to ferroelectricity at room temperature. The CT complex manifests ferroelectric features such as optical polarization rotation, temperature-dependent phase transition and piezoelectric response in single crystals. Ferroelectric behavior observed in P5Q-based CT complex widens the scope for further work on this structurally intriguing and readily accessible cyclic pentaquinone.

}, keywords = {Acceptor, Charge-transfer complexes, Chemistry, Conductors, DDQ, Donor, ferroelectric, Macrocycles, Organic Metals, Pi-interaction, Pillar[5]quinone, salts, Transfer Complexes, Transport}, issn = {0947-6539}, doi = {10.1002/chem.201702577}, author = {Shivakumar, Kilingaru I. and Swathi, Kadaba and Goudappagouda and Das, Tamal C. and Kumar, Ashwani and Makde, Ravindra D. and Vanka, Kumar and Narayan, Kavassery S. and Babu, Sukumaran Santhosh and Sanjayan, Gangadhar J.} } @inbook {43983, title = {Molecular methods for identification of clostridium tetani by targeting neurotoxin}, booktitle = {Methods Molecular Biology}, volume = {1600}, year = {2017}, pages = {37-47}, abstract = {Tetanus is a potentially fatal muscle spasm disease. It is an important public health problem, especially in rural/tribal areas of developing countries. Tetanus toxin, a neurotoxin (tetanospasmin ), is the most important virulence factor that plays a key role in the pathogenicity of tetanus . Confirmation of virulence by confirming the production of tetanospasmin by infecting species forms the most important part in the diagnosis of tetanus . Various molecular methods have been devised for confirmation of diagnosis by targeting different genes. The most common molecular methods are tetanospasmin producing (TetX) gene-targeted methods using TetX-specific primers. Here, we describe various molecular methods targeting TetX gene such as polymerase chain reaction, pulsed-field gel electrophoresis, Southern blotting, loop-mediated isothermal amplification assay, etc. to confirm the virulence of Cl. tetani.}, doi = {10.1007/978-1-4939-6958-6_4}, author = {Dharne, Mahesh S. and Nagoba, Basavraj S. and Gohil, Kushal N.} } @article {43954, title = {Multicolour and nearly white light emission in YP0.8V0.2O4:Sm3+ nanorods: controlled energy transfer}, journal = {Journal of Alloys and Compounds}, volume = {726}, year = {2017}, month = {DEC}, pages = {1161-1167}, type = {Journal Article}, abstract = {Nanorods of YP0.8V0.2O4:Sm{\textthreesuperior}$^{+}$ have been synthesized under hydrothermal conditions. Substitution of vanadium (V$^{5}$$^{+}$) sites in YVO4 by phosphorus ions (P$^{5}$$^{+}$) has been confirmed by Fourier transform infrared spectroscopy, X-ray diffraction and transmission electron microscopy. Careful selection of Sm{\textthreesuperior}$^{+}$ concentration in YP0.8V0.2O4 enables to achieve the controlled energy transfer from the VO4{\textthreesuperior}$^{-}$ absorption to the excited states of Sm{\textthreesuperior}$^{+}$ ions. The controlled energy transfer has been confirmed from the steady state luminescence and decay lifetime studies of VO4{\textthreesuperior}$^{-}$ emission. With the controlled retention of VO4{\textthreesuperior}$^{-}$ emission, tuning of light emission from the singly (Sm{\textthreesuperior}$^{+}$) doped YP0.8V0.2O4 nanorods is realized. At a particular doping concentration of Sm{\textthreesuperior}$^{+}$ (1.25 at.\%), a nearly white light emission is observed. The quantum yield of this nearly white light emission is found to be \~{}28\%. Tunability of the light and white light emission are supported by CIE chromaticity. The energy transfer efficiency from the VO4{\textthreesuperior}$^{-}$ absorption to the excited states of Sm{\textthreesuperior}$^{+}$ ion in YP0.8V0.2O4 reaches upto \~{}86\% with the doping concentration of 2.25 at.\%. }, keywords = {Energy Transfer, Luminescence, Multicolor, Nanorod}, doi = {10.1016/j.jallcom.2017.08.099}, author = {Singh, N.S.}, editor = {Wangkhem, R.} } @article {43941, title = {Multilocus sequence typing of Ochrobactrum spp. isolated from gastric niche}, journal = {Journal of Infection and Public Health }, volume = {10}, year = {2017}, month = {MAR-APR}, pages = {201-210}, type = {Journal Article}, abstract = {The human stomach is colonized by diverse bacterial species. The presence of non-Helicobacter pylori bacteria in urease-positive biopsies of individuals has been reported. Bacteria belonging to the Ochrobactrum genus have been documented in the human gastric niche. The co-occurrence of Ochrobactrum spp. with H. pylori was previously reported in an antral biopsy of a non-ulcer dyspeptic (NUD) subject from Northern India. There is no information on the genetic diversity of Ochrobactrum spp. isolated from the gastric niche in the stomach. We aimed to study the species distribution and diversity of Ochrobactrum spp. with and without H. pylori in urease-positive biopsies across three different geographical regions in India. Sixty-two Ochrobactrum isolates recovered from patients with an upper gastric disorder (n=218) were subjected to molecular identification and multilocus sequence typing. H. pylori DNA was found in the majority of biopsies, which had a variable degree of Ochrobactrum spp present. Interestingly, some of the urease-positive biopsies only had Ochrobactrum without any H. pylori DNA. Based on phylogenetic analysis, the Ochrobactrum isolates were distributed into the O. intermedium, O. anthropi and O. oryzae groups. This indicates there are multiple species in the gastric niche irrespective of the presence or absence of H. pylori. Antibiotyping based on colistin and polymyxin B could differentiate between O. intermedium and O. anthropi without revealing the resistance-driven diversity. Considering the prevalence of multiple Ochrobactrum spp. in the human gastric niche, it is important to evaluate the commensal and/or pathogenic nature of non-H. pylori bacteria with respect to their geographical distribution, lifestyle and nutrition needs.}, keywords = {Helicobater Pyroli, MLST, Non-Ulcer Dyspepsia, Ochrobactrum}, doi = {10.1016/j.jiph.2016.04.013}, author = {Kulkarni, Girish}, editor = {Gohil, Kushal} } @article {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 {43824, title = {Nanocrystalline Fe-Fe2O3 particledeposited N-doped graphene as an activity-modulated Pt-free electrocatalyst for oxygen reduction reaction}, journal = {Nanoscale}, volume = {9}, year = {2017}, month = {SEP}, pages = {13341-13342}, type = {Article}, issn = { 2040-3364}, doi = {10.1039/c7nr90179h}, author = {Dhavale, Vishal M. and Singh, Santosh K. and Nadeema, Ayasha and Gaikwad, Sachin S. and Kurungot, Sreekumar} } @article {44030, title = {Nano-heteroarchitectures of two-dimensional MoS 2 @ one-dimensional brookite TiO 2 nanorods: prominent electron emitters for displays}, journal = {ACS Omega}, volume = {2}, year = {2017}, month = {JUN}, pages = {2925-2934}, type = {Article}, abstract = {

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

}, doi = {10.1021/acsomega.7b00345}, author = {Devan, Rupesh S. and Thakare, Vishal P. and Antad, Vivek V. and Chikate, Parameshwar R. and Khare, Ruchita T. and More, Mahendra and Dhayal, Rajendra S. and Patil, Shankar I. and Ma, Yuan-Ron and Schmidt-Mende, Lukas} } @article {43817, title = {Nature of selenium hydrogen bonding: gas phase spectroscopy and quantum chemistry calculations}, journal = {Physical chemistry Chemical physics}, volume = {19}, year = {2017}, month = {SEP}, pages = {24179-24187}, type = {Article}, abstract = {

Subsequent to the recent re-definition of hydrogen bonding by the IUPAC committee, there has been a growing search for finding the presence of this ever interesting non-covalent interaction between a hydrogen atom in an X-H group and any other atom in the periodic table. In recent gas phase experiments, it has been observed that hydrogen bonding interactions involving S and Se are of similar strength to those with an O atom. However, there is no clear explanation for the unusual strength of this interaction in the case of hydrogen bond acceptors which are not conventional electronegative atoms. In this work, we have explored the nature of Se hydrogen bonding by studying indole...dimethyl selenide (indmse) and phenol...dimethyl selenide (phdmse) complexes using gas phase IR spectroscopy and quantum chemistry calculations. We have found through various energy decomposition analysis (EDA) methods and natural bond orbital (NBO) calculations that, along with electrostatics and polarization, charge transfer interactions are important to understand Se/S hydrogen bonding and there is a delicate balance between the various interactions that plays the crucial role rather than a single component of the interaction energy. An in-depth understanding of this type of non-covalent interaction has immense significance in biology as amino acids containing S and Se are widely present in proteins and hence hydrogen bonding interactions involving S and Se atoms contribute to the folding of proteins.

}, keywords = {Center-Dot-O, Clusters, Co-Ordination, Complexes, intermolecular interactions, Proteins, Replacement, spectra, Strength, Sulfur}, issn = {1463-9076}, doi = {10.1039/c7cp05265k}, author = {Mishra, Kamal K. and Singh, Santosh K. and Ghosh, Paulami and Ghosh, Debashree and Das, Aloke} } @article {45712, title = {N-doped porous reduced graphene oxide as an efficient electrode material for high performance flexible solid-state supercapacitor}, journal = {Applied Materials Today}, volume = {8}, year = {2017}, month = {SEP}, pages = {141-149}, type = {Article}, abstract = {Supercapacitors (SCs) are energy storage devices with an immense potential to resolve energy related issues. Being a low cost, durable and multifunctional material, graphene and its derivatives are the most promising candidates for SCs. Here, we report the synthesis of N-doped porous reduced graphene (N-pGr) and its use for the fabrication of all-solid-state supercapacitor (ASSC) device. The N-pGr exhibited a specific capacitance of 230 F g(-1) at 1 A g(-1) current density and good capacitance retention up to 88\% even after 10,000 galvanostatic charge-discharge cycles recorded at 5 A g(-1) fabricated in a solid-state supercapacitor. The synergistic effect of the porosity and N-doping is believed to be the underlying principle for the improved charge storage ability when compared to other reports. Significantly, the porous nature of N-pGr contributes in increasing the electroactive surface area for the formation of electrical double layer as well as facilitating the faster movement of electrolyte ions inside the electrode network. N-doping is believed to change the electrical properties of the electrode material and also to participate in the pseudo-capacitance which helped to boost the overall capacitance of the fabricated device. The good capacitance retention provides the room for making robust flexible solid-state supercapacitor (FSSC) with the N-pGr material.}, doi = {10.1016/j.apmt.2016.10.002}, author = {Singh, S. K. and Dhavale, V. M. and Boukherroub, R. and Kurungot, S. and Szunerits, S.} } @article {42937, title = {New bithiazolyl hydrazones: novel synthesis, characterization and antitubercular evaluation}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {27}, year = {2017}, month = {JAN}, pages = {288{\textendash}294}, abstract = {

New bithiazolyl hydrazones (6a{\textendash}l) have been first time synthesized by carrying novel one pot cyclocondensation of 5-acyl thiazoles (1a{\textendash}b), thiosemicarbazide (2) and substituted phenacyl chlorides (4a{\textendash}f) in freshly prepared ionic liquid, diisopropyl ethyl ammonium acetate (DIPEAc) at room temperature. The newly synthesized compounds have been evaluated for their antitubercular activity and the compounds 3b, 6a, 6b, 6d, 6e, 6f, 6g, and 6l have displayed noticeable antitubercular activity compared to Rifampicin with tolerable cytotoxicity. All these compounds were also screened for their antibacterial activity and found that, compounds 6j and 6k have exhibited a very good antibacterial activity. Molecular docking study has shown better harmony with the evaluation trend shown by these compounds under in vitro antitubercular screening.

}, doi = {10.1016/j.bmcl.2016.11.056}, author = {Bhalerao, Mahendra B. and Dhumal, Sambhaji T. and Deshmukh, Amarsinh R. and Nawale, Laxman U. and Khedkar, Vijay M. and Sarkar, Dhiman and Mane, Ramrao A.} } @article {43397, title = {New insights into the use of multi-mode phenomenological constitutive equations to model extrusion film casting process}, journal = {Journal of Plastic Film \& Sheeting}, volume = {33}, year = {2017}, month = {JAN}, pages = {35-71}, abstract = {This article is concerned with the effect of the individual viscoelastic relaxation modes of a polymer melt on its behavior in polymer melt extrusion film casting process. We compare the predicted versus experimentally obtained film necking or neck-in profile as a function of draw ratio. The predicted necking profile was obtained using well-established one-dimensional isothermal flow kinematics and consisted of using two different phenomenological constitutive equations, upper convected Maxwell and Phan-Thien-Tanner, with a discrete spectrum of relaxation times. The numerical simulations, containing the two different phenomenological constitutive equations, provided an insight into the effect of the slow and the fast relaxing modes on the stresses, strains, and strain/extensional rates that develop in the molten polymer film as it is stretched from the die exit to the chill-roll. The slow relaxing modes follow trends that are directly proportional to strain (similar to Hookean solids), whereas the fast relaxing modes follow trends that are directly proportional to the stretch rate (in accordance with Newton{\textquoteright}s law of viscosity). Comparing the numerical predictions with the experiments showed that predictions using the upper convected Maxwell constitutive equation best described the long-chain branched polymers (like low-density polyethylene, which shows extensional strain hardening) in the extrusion film casting process. On the other hand, predictions using the Phan-Thien-Tanner constitutive equation best described the linear polymers (like linear low-density polyethylene, which does not show noticeable extensional strain hardening) in the extrusion film casting process.}, doi = {10.1177/8756087915627843}, author = {Thete, Sumeet S. and Doshi, Pankaj and Pol, Harshawardhan V.} } @article {45769, title = {N-Heterocyclic carbene-catalyzed aldol-lactonization of ketoacids via dynamic kinetic resolution}, journal = {ACS Catalysis}, volume = {7}, year = {2017}, month = {JUN}, pages = {3995-3999}, type = {Article}, abstract = {

N-Heteroryclic carbene (NHC)-catalyzed enantioselective aldol lactonization of acyclic ketoacids, proceeding via dynamic kinetic resolution, is presented. The carbene generated from the chiral anninoinclanol-derived triazolium salt in the presence of LiCl was the key for the success of this transformation. The reaction allowed the diastereoselective and enantioselective synthesis of cyclopentane-fused beta-lactones having three contiguous stereocenters. The reaction products are shown to undergo substrate-controlled beta-lactone opening in the presence of amines to afford succinimide derivatives with four contiguous stereocenters.

}, keywords = {aldol lactonization, beta-lactones, DKR strategies, ketoacids, N-heterocyclic carbenes, organocatalysis}, issn = {2155-5435}, doi = {10.1021/acscatal.7b00681}, author = {Mondal, Santigopal and Mukherjee, Subrata and Das, Tamal Kanti and Gonnade, Rajesh and Biju, Akkattu T.} } @article {43947, title = {NIR light-triggered shrinkable thermoresponsive PNVCL nanoshells for cancer theranostics}, journal = {RSC Advances}, volume = {7}, year = {2017}, month = {SEP}, pages = {44026-44034}, type = {Article}, abstract = {For the localized treatment of a tumor in a more controlled fashion, several stimuli-responsive nanocarriers and minimally or non-invasive techniques like photothermal therapy (PTT) have emerged. However, PTT is limited to only treatment of small and superficial tumors due to the inability of NIR light to penetrate more and kill the core cells of large and deep-seated tumors. As a preliminary step towards addressing the problem, NIR light-triggered thermoresponsive theranostic nanoshell consisting of chitosan-grafted poly(N-vinyl caprolactam) as core and biocompatible gold as shell (Au PNVCL NS) are synthesized and well characterized by various techniques. PNVCL is polymerized from N-vinyl caprolactam using free radical polymerization method, and chitosan is grafted to raise its lower critical solution temperature (LCST) to hyperthermic temperature (\~{}43 {\textdegree}C). Surface plasmon resonant gold shell over PNVCL NPs core is assembled by ascorbic acid-driven in situ reduction. Core to shell diameter ratio is controlled to tune the peak in NIR region (750 nm). Therapeutic potential of Au PNVCL NS is determined over breast cancer cells MCF-7, while diagnostic potential is compared with the commercial contrast agent-Omnipaque.}, doi = {10.1039/C7RA07485A}, author = {Chauhan, Deepak S. and Singaravelu, Indulekha and Gottipalli, Rupesh and Reddy, B. Pradeep K. and Chikate, Tanmayee and Gupta, Ramkrishn and Jahagirdar, Dushyant N. and Prasad, Rajendra and De, Abhijit and Srivastava, Rohit} } @article {43844, title = {Nitrogen-doped graphene anchored with mixed growth patterns of CuPt alloy nanoparticles as a highly efficient and durable electrocatalyst for the oxygen reduction reaction in an alkaline medium}, journal = {Nanoscale}, volume = {9}, year = {2017}, month = {JUL}, pages = {9009-9017}, type = {Article}, abstract = {

A highly active and durable CuPt alloy catalyst with trigonal bipyramidal and truncated cube-type mixed morphologies, anchored on the nitrogen-doped graphene (NGr) surface (CuPt-TBTC/NGr), was prepared by a simple and fast method. The obtained CuPt alloy showed improved oxygen reduction reaction (ORR) activity, with a 30 mV positive shift in the half-wave potential value, as compared to the state-of-the-art Pt/C catalyst in a 0.1 M KOH solution. The CuPt alloy with the trigonal bipyramidal morphology possesses porous type inter-connected sides, which help to achieve improved mass transport of oxygen during the ORR. The exposure of the (111) plane of the CuPt alloy further improved the catalytic activity towards the dioxygen reduction in alkaline media. The ORR activity of the NGr-supported CuPt alloy was found to be dependent on the reaction time, and improved activity was obtained on the material derived at a reaction time of 90 min (CuPt-TBTC/NGr-90). The material synthesized at a lower or higher reaction time than 90 min resulted in a partially formed trigonal bipyramidal morphology with more truncated cubes or agglomerated trigonal bipyramidal and truncated cubes with closed type structures, respectively. Along with the high intrinsic ORR activity, CuPt-TBTC/NGr-90 displayed excellent electrochemical stability. Even after repeated 1000 potential cycling in a window ranging from 0.10 to 1.0 V (vs. RHE), the system clearly outperformed the state-of-the-art Pt/C catalyst with 15 and 60 mV positive shifts in the onset and half-wave potentials, respectively. CuPt-TBTC/NGr-90 also exhibited 2.1 times higher mass activity and 2.2 times higher specific activity, compared to Pt/C at 0.90 V (vs. RHE). Finally, a zinc-air battery fabricated with the alloy catalyst as the air electrode displayed a peak power density of 300 mW cm(-2), which is much higher than the peak power density of 253 mW cm(-2) obtained for the state-of-the-art Pt/C catalyst as the air electrode.

}, doi = {10.1039/c7nr00697g}, author = {Illathvalappil, Rajith and Dhavale, Vishal M. and Bhange, Siddheshwar N. and Kurungot, Sreekumar} } @article {43870, title = {NiZn double hydroxide nanosheet-anchored nitrogen-doped graphene enriched with the gamma-NiOOH phase as an activity modulated water oxidation electrocatalyst}, journal = {Nanoscale}, volume = {9}, year = {2017}, month = {SEP}, pages = {12590-12600}, type = {Journal Article}, chapter = {12590-12600}, abstract = {

Herein, we report a facile solvothermal process to synthesize an active electrocatalyst for the oxygen evolution reaction (OER) in an alkaline medium by anchoring nanosheets of a NiZn double hydroxide over nitrogen doped reduced graphene oxide after enriching the system with the γ-NiOOH phase. This catalyst possesses a thin, porous and open layered structure, which makes the system more efficient and accessible for a better electrochemical water oxidation reaction. Moreover, we experimentally demonstrated that incorporation of Zn via a single-step solvothermal method provides an easy approach to obtain plenty of exposed γ-NiOOH phases to make the system more viable for OER with a small overpotential of 290 mV at 10 mA cm-2 and a Tafel slope of 44 mV per decade. In addition to this, the oxophilic nature of Zn in the (Zn)Ni-LDH/N-rGO catalyst helps to improve the long-term stability of the whole system. The obtained results open up possibilities for the design of future robust OER electrocatalysts by the use of very cheap and abundant materials like Ni and Zn in place of expensive Ir and Ru in the present commercial electrocatalysts.

}, keywords = {catalysis, Efficient Electrocatalyst, kinetics, Metal, Nickel-Hydroxide, oxide, Oxygen Evolution Reaction, performance, XPS Spectra, zinc}, issn = {2040-3364}, doi = {10.1039/c7nr02225e}, author = {Nadeema, Ayasha and Dhavale, Vishal M. and Kurungot, Sreekumar} } @article {43813, title = {One-step synthesis of a MoS2-CuS composite with high electrochemical activity as an effective counter electrode for CdS/CdSe sensitized solar cells}, journal = {Chemelectrochem}, volume = {4}, year = {2017}, month = {AUG}, pages = {1984-1989}, type = {Article}, abstract = {Inorganic nanostructured composite materials involving metal sulfides are increasingly important in electrochemical applications like solar cells. In this research, we have developed a one-step in situ solvothermal method to synthesize a MoS2-CuS composite. MoS2 sheets increase electron-transfer ability, assisting the improvement in catalytic activity of the MoS2-CuS counter electrode. The charge-transfer resistance derived from impedance spectroscopy for the MoS2-CuS composite counter electrode at the electrode/electrolyte interface is very low, as compared to MoS2, mostly owing to the increased number of active catalytic sites for the reduction of polysulfide electrolyte. The Tafel polarization plot shows excellent electrocatalytic activity of the MoS2-CuS composite towards polysulfide electrolyte. Finally, the CdS/CdSe sensitized solar cell achieves a power conversion efficiency of about 5\% upon optimization of the MoS2-CuS composition.}, doi = {10.1002/celc.201700231}, author = {Kamaja, Chaitanya Krishna and Devarapalli, Rami Reddy and Shelke, Manjusha V.} } @article {43938, title = {Optimization for the production of mycelial biomass from Benjaminiella poitrasii to isolate highly deacetylated chitosan}, journal = {Journal of Polymer Materials}, volume = {34}, year = {2017}, month = {MAR}, pages = {145-156}, type = {Article}, abstract = {

Benjaminiella poitrasii, a dimorphic zygomycetous fungus contains more chitosan in the mycelial cell wall than the cell wall of its yeast form. The optimized medium containing yeast extract, peptone, MgSO4, KH2PO4, trace metals (Fe2+, Mn2+ Zn2+ and Co2+ ) solution and 1\% starch produced 10-12 g/L(dry wt.) of mycelial biomass in 48 h in a 2L fermenter. Using 1N NaOH treatment from 1 g of dried biomass 51.00 {\textpm} 0.52 mg of chitosan of 42.82 KDa molecular weight and 94.24 \% degree of deacetylation was extracted. With Metarhizium anisopliae chitin deacetylase (CDA), chitosan yield was 59.00 {\textpm} 0.84 mg while treatment with CDA of B. poitrasii it was 78.05 {\textpm} 0.58 mg/g of dry wt. of biomass. The chitosan dissolved in 2\% acetic acid showed higher antifungal activity against Candida albicans (MIC90 0.025 mg/mL) and Candida glabrata (MIC90 0.2 mg/mL) than chitosan extracted from marine source (MIC90 \>1.6 mg/mL) suggesting use of fungal chitosan in healthcare.

}, author = {Mane, S. R. and Pathan, Ejaj K. and Kale, D. and Ghormade, Vandana and Gadre, Ramchandra V. and Rajamohanan, Pattuparambil Ramanpillai and Badiger, Manohar V. and Deshpande, Mukund V.} } @article {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 {44116, title = {Overcoming the lack of oral availability of cyclic hexapeptides: design of a selective and orally available ligand for the integrin alpha v beta 3}, journal = {Angewandte Chemie-International Edition}, volume = {56}, year = {2017}, month = {DEC}, pages = {16405-16409}, type = {Article}, abstract = {Ahighly systematic approach for the development of both orally bioavailable and bioactive cyclic N-methylated hexapeptides as high affinity ligands for the integrin alpha v beta 3 is based on two concepts: a) screening of systematically designed libraries with spatial diversity and b) masking of the peptide charge with a lipophilic protecting group. The key steps of the method are 1) initial design of a combinatorial library of Nmethylated analogues of the stem peptide cyclo(d-Ala-Ala(5)); 2) selection of cyclic peptides with the highest intestinal permeability; 3) design of sublibraries with the bioactive RGD sequence in all possible positions; 4) selection of the best ligands for RGD-recognizing integrin subtypes; 5) finetuning of the affinity and selectivity by additional Ala to Xaa substitutions; 6) protection of the charged functional groups according to the prodrug concept to regain intestinal and oral permeability; 7) proof of biological effects in mice after oral administration.}, doi = {10.1002/anie.201709709}, author = {Weinmueller, Michael and Rechenmacher, Florian and Marelli, Udaya Kiran and Reichart, Florian and Kapp, Tobias G. and Raeder, Andreas F. B. and Di Leva, Francesco Saverio and Marinelli, Luciana and Novellino, Ettore and Munoz-Felix, Jose M. and Hodivala-Dilke, Kairbaan and Schumacher, Adi and Fanous, Joseph and Gilon, Chaim and Hoffman, Amnon and Kessler, Horst} } @article {43492, title = {Oxidant mediated one-step complete conversion of multi-walled carbon nanotubes to graphene quantum dots and their bioactivity against mammalian and bacterial cells}, journal = {Journal of Materials Chemistry B}, volume = {5}, year = {2017}, month = {JAN}, pages = {785-796}, abstract = {It is essential for any antibacterial agent (for clinical applications) that it should have high and selective toxicity towards bacterial cells only, and should not affect the human cells at the concentration used. Graphene quantum dots (GQDs) have emerged as a potential candidate for biomedical applications. However, a simple, low cost, safe, easy to execute, one-step synthesis of uniform and monodispersed GQDs with selective toxicity towards bacterial cells rather than mammalian cells is difficult to achieve. Herein, we have reported a one-step, low-cost, aqueous-phase, simple approach for the complete conversion of multi-walled carbon nanotubes into water-dispersible GQDs with an average size of similar to 3 nm using sodium bismuthate (NaBiO3) as a strong oxidant. The cyclic voltammetry and X-ray photoelectron spectroscopy results indicated that the as-synthesized GQDs suspension possess almost negligible amounts of metallic impurities. The cytotoxicity studies of GQDs against mammalian NIH 3T3 (mouse embryo fibroblast cells) and HEK 293T (human embryonic kidney cells) cells showed that the as-synthesized GQDs were non-cytotoxic up to the concentration of similar to 200 mu g mL(-1). The antimicrobial study shows that the synthesized GQDs have high and selective toxicity towards bacterial cells with a minimum inhibitory concentration of similar to 256 mu g mL(-1) for E. coli and B. subtilis and similar to 512 mu g mL(-1) for P. aeruginosa and S. aureus. The scanning electron microscopy and atomic force microscopy images show extensive cell damage via the perturbation of bacterial cell walls, which was consistent with the enhancement of reactive oxygen species production by almost two times in the bacterial cells upon incubation with similar to 256 mu g mL(-1) GQDs. Our study suggested that the as-synthesized GQDs can be used as a potential candidate for clinical applications as they possess high toxicity to bacterial cells and low toxicity to mammalian cells.}, doi = {10.1039/c6tb02446g}, author = {Biswas, Anupam and Khandelwal, Puneet and Das, Raja and Salunke, Gayatri and Alam, Aftab and Ghorai, Suvankar and Chattopadhyay, Samit and Poddar, Pankaj} } @article {44404, title = {Palladium supported on fluorinated magnesium hydroxide: an efficient catalyst for hydrogenation under ambient conditions}, journal = {Chemistryselect}, volume = {2}, year = {2017}, month = {NOV}, pages = {10618-10627}, abstract = {

In this study palladium supported on fluorinated magnesium hydroxide (Pd-MgF2-x(OH)(x)) was synthesized by fluorination of magnesium hydroxide using aqueous HF as fluorinating agent. The Mg(OH)(2) dissolves in HF and precipitates as magnesium hydroxide fluoride. The Pd precursor was added in the same pot during precipitation of MgF2-x(OH)(x). The final catalyst after drying at 250 degrees C has shown very high efficiency for hydrogenation of styrene and range of nitro aromatics at room temperature and atmospheric pressure. Hydrogenation of styrene has led to 37\% conversion with 100\% selectivity for hydrogenation of double bond after 3 h. The catalyst was successfully recycled for styrene hydrogenation without appreciable loss in the activity. Further hydrogenation of nitro-aromatics was achieved with 99\% conversion and 100\% aniline selectivity at room temperature and atmospheric pressure. The turnover number of similar to 21774 was obtained for nitrobenzene hydrogenation. The catalyst has shown mesoporous nature (pore volume 0.25 cc/g, pore diameter 4.8 nm) with very high surface area of 106 m(2)/g. The palladium particle size was found to be in the range of 10-11 nm. Acidity measurements by FTIR of adsorbed pyridine revealed presence of Lewis acidic sites with moderate acidity. Mechanistic studies using in-situ FTIR analysis for nitrobenzene hydrogenation revealed activation of nitrobenzene on the Lewis acid sites of the support whereas activation of hydrogen by heterolytic cleavage on Pd center.

}, doi = {10.1002/slct.201702217}, author = {Kokane, Reshma S. and Acham, Vaibhav R. and Kulal, Atul B. and Kemnitz, Erhard and Dongare, Mohan K. and Umbarkar, Shubhangi B.} } @article {43479, title = {Performance of colloidal CdS sensitized solar cells with ZnO nanorods/nanoparticles}, journal = {Beilstein Journal of Nanotechnology}, volume = {8}, year = {2017}, month = {JAN}, pages = { 210-221}, abstract = {

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

}, doi = {10.3762/bjnano.8.23}, author = {Roy, Anurag and Das, Partha Pratim and Tathavadekar, Mukta and Das, Sumita and Devi, Parukuttyamma Sujatha} } @article {43898, title = {Phenol oxidative dearomatization of modified nucleoside templates: a simple access to the c7-spiroannulated octosyl acid framework}, journal = {Synthesis-Stuttgart}, volume = {49}, year = {2017}, month = {SEP}, chapter = {4221-4228}, abstract = {

Phenol oxidative dearomatization and cyclization has been executed successfully on nucleoside templates to synthesize C7-spiroannulated perhydrofuropyran nucleosides and C6-spiroannulated perhydrofurofuran nucleosides as novel analogues of octosyl acid and related peptidyl nucleosides.

}, keywords = {Analogs, antibiotics, Biosynthesis, Chitin synthase, Derivatives, Ezomycins, Glucose Diacetonide Natural-products, Griseofulvin, Malayamycin, Modified nucleosides, Moiety, Peptidyl Glycosides, Phenol Oxidative Dearomatization, Vorbruggen Glycosylation}, issn = {0039-7881}, doi = {10.1055/s-0036-1588543}, author = {Mullapudi, Venkannababu and Bhogade, Ravindra B. and Deshpande, Mukund V. and Ramana, Chepuri V.} } @inbook {45800, title = {Photocatalytic degradation of herbicide by using aeroxide{\textregistered}P-90 TiO2 photocatalyst and photo-fenton process in the presence of artificial and solar radiation}, booktitle = {Novel water treatment and separation methods: simulation of chemical processes}, year = {2017}, pages = {1-18}, publisher = {CRC Press}, organization = {CRC Press}, edition = {1}, chapter = {Photocatalytic degradation of herbicide by using aeroxide{\textregistered}P-90 TiO2 photocatalyst and photo-fenton process in the presence of ar}, address = {New York}, abstract = {The presence of herbicide residues in the aquatic environment is an emerging issue due to their uncontrolled release through water and accumulation in the environment that may affect living organisms, environment, and public health. Consequently, the efforts are being made to develop the viable methods to eliminate the herbicides from the environment. The degradation of herbicide particularly amitrole has been investigated in aqueous solutions by using artificial and solar radiation. The effect of Aeroxide TiO2 P-90 photocatalyst loading (1-4 g L-1) on photocatalytic degradation of amitrole (50 mg L-1) was investigated. The degradation of amitrole (initial concentration ranging from 20 to 100 mg L-1) also studied by using photo-Fenton process (FeSO4 (10-30 mg L-1) and H2O2 (100-300 mg L-1)). The effect of pH (3-11), effect of co-existing salts (ammonium sulfate, sodium chloride, and sodium carbonate) as well as effect of type of radiation (artificial or solar radiation) on the degradation of amitrole was evaluated and optimized. The degradation of amitrole was accompanied by formation of intermediates which were detected by LC-MS. According to the results presented in this study, the photo-Fenton process using solar radiation is an efficient technique for degradation of amitrole.}, isbn = {978-177188578-2}, issn = {978-135184676-9}, doi = {10.1201/9781315225395}, author = {Telang, T., and Deosarkar, M.P. and Shetty, R. and Kamble, S.P.} } @article {43666, title = {Photo-induced cytotoxicity and anti-metastatic activity of ruthenium(II)-polypyridyl complexes functionalized with tyrosine or tryptophan}, journal = {Dalton Transactions}, volume = {46}, year = {2017}, month = {MAY}, pages = {6634-6644}, abstract = {The synergistic effect of oxygen, light, and photosensitizer (PS) has found applications in medicine for the treatment of cancer through photodynamic therapy (PDT). Induction of apoptosis to cancerous cells will prevent tumor metastasis that spreads cancer cells to the neighboring organs/tissues. Herein, we report the two apoptotic Ru(II)-polypyridyl complexes that are functionalized with pendant amino acid moieties tyrosine (1) and tryptophan (2), respectively. These two water soluble complexes were found to interact strongly (K-a(1) = (1.18 +/- 0.28) x 10(5) M-1 and K-a(2) = (1.57 +/- 0.77) x 10(5) M-1) with CT-DNA. Isothermal titration calorimetry (ITC) studies revealed that these complexes bind to CT-DNA through an entropically driven process. Both the complexes showed photo-induced cytotoxicity and exhibit apoptotic activity under photo-irradiation conditions. The comet assay indicated that these complexes can damage cellular DNA, which is attributed to the significant build-up of O-1(2) level even on irradiation with low intensity light (10 J cm(-2), lambda(Range) 450-480 nm). This photoinduced DNA damage and apoptosis in A549 cells was induced by reactive oxygen species (ROS) and occurred through up-regulation of apoptotic marker caspase-3. Control experiments under dark conditions revealed an insignificant cytotoxicity towards these cells for two photosensitive molecules.}, doi = {10.1039/c7dt00670e}, author = {Ramu, Vadde and Aute, Sunil and Taye, Nandaraj and Guha, Rweetuparna and Walker, Michael G. and Mogare, Devaraj and Parulekar, Apoorva and Thomas, Jim A. and Chattopadhyay, Samit and Das, Amitava} } @article {45691, title = {Photovoltaic and photocatalytic performance of electrospun Zn2SnO4 hollow fibers}, journal = {Applied Catalysis B}, volume = {203}, year = {2017}, month = {APR}, pages = {692-703}, type = {Article}, abstract = {The phase pure hollow Zn2SnO4 and green emitting ZnO-SnO2-Zn2SnO4 composite fiber have been prepared by post calcining the as formed fiber by electrospin technique. Depending upon the calcination temperature, the as prepared fiber exhibited a striking variation in composition, microstructure, optical and photo-electrochemical properties. The composition dependent dissimilarity in photovoltaic performance and photocatalytic activity has been established in this work. A relatively enhanced open circuit voltage (Voc) of 0.76 V, fill factor (FF) of 59.78\%, short circuit current Qsc) of 4.2 mA/cm(2) and an overall conversion efficiency (n) of 1.93\% have been achieved for the phase pure Zn2SnO4 porous fiber obtained at the elevated calcination temperature of 1000 degrees C. On the contrary, a relatively reduced Voc, FF, J(sc) and n of 0.70 V, 42.54\%, 3.8 mA/cm(2) and 1.17\%, respectively, have been achieved for the 800 degrees C calcined dense fiber consisting of a mixture of three distinct phases ZnO, SnO2 and Zn2SnO4. Unlike photovoltaic behaviour the trend in photocatalytic performance interestingly got reversed for the ZnO-nO(2)-Zn2SnO4 composite fiber owing to its superior photo-induced charge separation ability followed by generation of larger amount of active hydroxyl radicals (OFF). Our results establish the composite fiber as a preferred photocatalyst in comparison to phase pure Zn2SnO4 towards the textile dyes Methylene blue and Congo red and non absorbing organic pollutants such as Phenol and Bisphenol A under UV illumination.}, doi = {10.1016/j.apcatb.2016.10.035}, author = {Das, P. P. and Roy, A . and Tathavadekar, M. and Devi, P. S.} } @article {43537, title = {Phytase production by aspergillus niger NCIM 563 for a novel application to degrade organophosphorus pesticides}, journal = {AMB Express}, volume = {7}, year = {2017}, month = {MAR}, pages = {Article Number: 66}, abstract = {The production of phytase using Aspergillus niger NCIM 563 under submerged fermentation conditions was studied using protein rich chickpea flour as substrate. Employing a hybrid statistical media optimization strategy of Plackett-Burman and Box-Behnken experimental designs in shake-flasks gave an increased phytase activity from an initial 66 IU/mL in 216 h to 160 IU/mL in a reduced time of 132 h. Productivity, thus increased by 3.97 times from 7.3 to 29 IU/mL/day. Using the optimized media, the production was successfully scaled-up further and improved up to 164 IU/mL in 96 h by studies carried out employing 2 and 10-L fermenters. The enzyme supernatant was recovered using centrifugal separation of biomass and the stability of the produced phytase was tested for animal feed applications under gastric conditions. In vitro degradation studies of water soluble monocrotophos, methyl parathion and water insoluble chlorpyrifos, pesticides used extensively in agriculture was carried out. It was observed by HPLC analysis that phytase could degrade 72\% of chlorpyrifos at pH 7.0, 35 degrees C. Comparable results were obtained with monocrotophos and methyl parathion. With chlorpyrifos at higher temperature 50 degrees C as much as 91\% degradation could be obtained. The degradation of chlorpyrifos was further validated by spraying phytase on harvested green chilli ( Capsicum annuum L) under normal conditions of pH 7.0, 35 degrees C and the degradation products obtained analyzed by LCMS. Thus, the present study brings out a potentially novel application of phytase for biodegradation of organophosphorus pesticides.}, doi = {10.1186/s13568-017-0370-9}, author = {Shah, Parin C. and Kumar, V. Ravi and Dastager, Syed G. and Khire, Jayant M.} } @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 {45719, title = {Polymerization-incompetent uromodulin in the pregnant stroke-prone spontaneously hypertensive rat}, journal = {Hypertension}, volume = {69}, year = {2017}, month = {MAY}, pages = {910+}, type = {Article}, abstract = {

The kidney is centrally involved in blood pressure regulation and undergoes extensive changes during pregnancy. Hypertension during pregnancy may result in an altered urinary peptidome that could be used to indicate new targets of therapeutic or diagnostic interest. The stroke-prone spontaneously hypertensive rat (SHRSP) is a model of maternal chronic hypertension. Capillary electrophoresis-mass spectrometry was conducted to interrogate the urinary peptidome in SHRSP and the control Wistar-Kyoto strain at three time points: prepregnancy and gestational days 12 and 18. The comparison within and between the Wistar-Kyoto and SHRSP peptidome at all time points detected 123 differentially expressed peptides (fold change \>1.5; P\<0.05). Sequencing of these peptides identified fragments of collagen a-chains, albumin, prothrombin, actin, serpin A3K, proepidermal growth factor, and uromodulin. Uromodulin peptides showed a pregnancy-specific alteration in SHRSP with a 7.8-fold (P\<0.01) and 8.8-fold (P\<0.05) increase at gestational days 12 and 18, respectively, relative to the Wistar-Kyoto. Further investigation revealed that these peptides belonged to the polymerization-inhibitory region of uromodulin. Two forms of uromodulin (polymerization competent and polymerization incompetent) were found in urine from both Wistar-Kyoto and SHRSP, where the polymerizationincompetent form was increased in a pregnancy-specific manner in SHRSP. Nifedipine-treated pregnant SHRSP showed only polymerization-competent uromodulin, indicating that calcium may be mechanistically involved in uromodulin polymerization. This study highlights, for the first time, a potential role of uromodulin and its polymerization in hypertensive pregnancy.

}, keywords = {Hypertension, Kidney, Nifedipine, pregnancy, uromodulin}, issn = {0194-911X}, doi = {10.1161/HYPERTENSIONAHA.116.08826}, author = {Mary, Sheon and Small, Heather Yvonne and Siwy, Justyna and Mullen, William and Giri, Ashok and Delles, Christian} } @article {44090, title = {Polyphenylene sulfide- expanded graphite nanocomposites: processing route dependent electrical percolation}, journal = {Journal of Thermoplastic Composite Materials}, volume = {30}, year = {2017}, month = {DEC}, pages = {1603-1614}, type = {Article}, abstract = {Polyphenylene sulfide (PPS)-expanded graphite (ExGr) conducting nanocomposites have been prepared by powder mixing and in situ polymerization routes after sonicating ExGr particles in acetone. Synthesized PPS has been used to make powder mixed composites. The powder mixed composites exhibit a percolation threshold of 3 wt\% due to the formation of graphite nanosheets. When PPS-ExGr composites are prepared by in situ polymerization route, very low electrical percolation threshold less than 0.5 wt\% ExGr is obtained. The low percolation threshold obtained is attributed to better dispersion of ExGr nanosheets in the polymer matrix when compared to powder mixed composites. The synthesized PPS has been characterized by X-ray diffraction, differential scanning calorimetry, and infrared spectroscopy. The formation of graphite nanosheets has been confirmed by transmission and scanning electron microcopy analysis.}, doi = {10.1177/0892705716646420}, author = {Ramanujam, B. T. S. and Radhakrishnan, S. and Deshpande, S. D.} } @article {45722, title = {Polypropylene-based conducting nanocomposites: effect of aspect ratio of second conducting filler on the electrical percolation}, journal = {Journal of Thermoplastic Composite Materials}, volume = {30}, year = {2017}, month = {JUN}, pages = {840-854}, type = {Article}, abstract = {

Powder-mixed polypropylene (PP)-graphite binary composites exhibit an electrical percolation threshold at 10 wt\% graphite signifying insulator-semiconductor transition. Three conducting fillers such as carbon black (CB), sonicated expanded graphite (s-ExGr), and carbon nanofiber (CNF) are mixed with PP-7 wt\% graphite binary composites. The electrical percolation threshold has been found to have inverse relation to the aspect ratio of second conducting fillers in hybrid composites. The aspect ratio of second conducting fillers varies in the order CB \< ExGr \< CNF. The electrical percolation threshold is found to vary for the hybrid composites as 2.2 wt\% for CB addition, 0.75 wt\% for ExGr addition, and 0.2 wt\% for CNF addition in the PP-7 wt\% graphite binary composites. When the aspect ratio of second conducting fillers increases, they reduce the barrier for the charge transport. The second conducting fillers occupy the interspace of graphite and alternating current studies show that the effective dielectric constant increases with the concentration of second conducting filler in the hybrid composites. The composites are characterized by transmission electron microscopy and scanning electron microscopy. Melt-crystallized PP-7 wt\% graphite-CNF composites exhibit higher percolation threshold due to decrease in the polymer viscosity which increases the interparticulate distance.

}, keywords = {carbon nanofiber, Conducting polymer composites, Electrical properties, graphite nanosheets, hybrid composites, percolation, scanning, transmission electron microscopy}, issn = {0892-7057}, doi = {10.1177/0892705715614063}, author = {Ramanujam, B. T. S. and Radhakrishnan, S. and Deshpande, S. D.} } @article {44129, title = { Porous reduced graphene oxide modified electrodes for the analysis of protein aggregation. part 1: lysozyme aggregation at pH 2 and 7.4}, journal = {Electrochimica Acta}, volume = {254}, year = {2017}, month = {NOV}, pages = {375-383}, type = {Article}, abstract = {Protein instability due to misfolding and aggregation is of big concern for protein based therapeutics because it impacts the bioavailability and immunogenicity of such drugs. The development of simple and cost-effective methods for the analysis of pharmaceutical formulations, indicating the presence or absence of protein aggregates, is consequently of high importance. This work proposes a novel electrochemical interface based on porous reduced graphene oxide coated glassy carbon electrode (GC/prGO) allowing for the early and sensitive identification of protein aggregation by following the change in the oxidative current of the proteins. The novelty of this work lies in the exploration of the ability of GC/prGO interfaces to capture different aggregation behaviors. Lysozyme is used as a model to follow by electrochemistry its aggregation at two pH values, pH 2 and pH 7.4, leading to the formation of amyloid and amorphous aggregates, respectively. Comparing the oxidation peak of lysozyme by differential pulse voltammetry (DPV) for different electrode architectures allowed validating the higher sensitivity of the GC/prGO interface versus bare glassy electrodes or electrodes coated with non-porous reduced graphene oxide. Parallel experiments were performed by fluorescence with thioflavin T, size exclusion chromatography and Atomic Force Microscopy (AFM) imaging. These tests further highlighted the usefulness of GC/prGO electrode to visualize in a fast and reliable manner the changes in the protein structure and the differences between the processes occurring at pH 2 and pH 7.4. In particular, the ability to emphasize changes related to the first steps in aggregation that could be indicative of the aggregation course, recommend the GC/prGO electrode in combination with DPV as a new analytical tool for aggregation studies of biopharmaceuticals. Part 2 of this work will demonstrate later the utility of this approach for the analysis of a fast acting injectable human insulin formulation, Humulin R, used for diabetes treatment as well as for calcitonin. (C) 2017 Elsevier Ltd. All rights reserved.}, doi = {10.1016/j.electacta.2017.09.083}, author = {Vasilescu, Alina and Boulahneche, Samia and Chekin, Fereshteh and Gaspar, Szilveszter and Medjram, Mohamed Salah and Diagne, Abdou Aziz and Singh, Santosh K. and Kurungot, Sreekumar and Boukherroub, Rabah and Szunerits, Sabine} } @article {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 {43654, title = {Proton conduction in a hydrogen-bonded complex of copper(II)-bipyridine glycoluril nitrate}, journal = {Dalton Transactions}, volume = {46}, year = {2017}, month = {JUN}, pages = {6968-6974}, abstract = {Bipyridine glycoluril (BPG), a urea-fused bipyridine tecton, forms a square-pyramidal secondary building unit with copper(II) which further self-assembles to give a porous hydrogen-bonded complex. This complex displays a high proton conductivity of 4.45 x 10(-3) S cm(-1) at 90 degrees C and 95\% relative humidity (RH). Chains consisting of coordinated water, solvent water and nitrate anions embedded in the complex are responsible for high proton conduction. The proton conduction pathway was corroborated by ab initio electronic structure calculations with molecular dynamics (MD) simulations using the Nudged Elastic Band (NEB) method. The theoretical activation energy estimated to be 0.18 eV is in close agreement with the experimental value of 0.15 eV which evidences a Grotthuss proton hopping mechanism. We thus demonstrate that the hydrogen-bonded complex encapsulating appropriate counter ions, coordinated water and solvent water molecules exhibts superprotonic conductivity.}, doi = {10.1039/c7dt00425g}, author = {Tayade, Sakharam B. and Dhavale, Vishal M. and Kumbhar, Avinash S. and Kurungot, Sreekumar and Loennecke, Peter and Hey-Hawkins, Evamarie and Pujari, Bhalchandra} } @article {43550, title = {Proton-coupled electron-transfer processes in ultrafast time domain: evidence for effects of hydrogen-bond stabilization on photoinduced electron transfer}, journal = {Chemistry-A European Journal}, volume = {23}, year = {2017}, month = {MAR}, pages = {3455-3465}, abstract = {The proton-coupled electron-transfer (PCET) reaction is investigated for a newly synthesized imidazoleanthraquinone biomimetic model with a photoactive RuIIpolypyridyl moiety that is covalently coupled to the imidazole fragment. Intramolecular H-bonding interactions between imidazole and anthraquinone moieties favor the PCET process; this can be correlated to an appreciable positive shift in the one-electron reduction potential of the coordinated anthraquinone moiety functionalized with the imidazole fragment. This can also be attributed to the low luminescence quantum yield of the RuII-polypyridyl complex used. The dynamics of the intramolecular electron-transfer (ET) and PCET processes are studied by using femtosecond transient absorption spectroscopy. The steady- state spectroscopic studies and the results of the time- resolved absorption studies confirm that H- bonded water molecules play a major role in both ET and PCET dynamics as a proton relay in the excited state. The electron- transfer process is followed by a change in the H- bonding equilibrium between AQ and imidazole in acetonitrile solvent, and protonation of AQ(-) water leads to PCET in the presence of water. A slower forward and backward electron- transfer rate is observed in the presence of D2O compared with that in H2O. These results provide further experimental support for a detailed understanding of the PCET process.}, doi = {10.1002/chem.201605594}, author = {Dey, Ananta and Dana, Jayanta and Aute, Sunil and Maity, Partha and Das, Amitava and Ghosh, Hirendra N.} } @article {43775, title = {Rapid synthesis of highly monodispersed silver nanoparticles from the leaves of Salvadora persica}, journal = {Materials Letters}, volume = {205}, year = {2017}, month = {OCT}, pages = {226-229}, type = {Article}, abstract = {We have demonstrated a one pot green protocol for the synthesis of highly monodispersed silver nanoparticles using leaves of Salvadora persica plant. When the leaf extract of Salvadora persica plant reacted with silver nitrate (AgNO3) solution it resulted in the synthesis of highly monodispersed silver nanoparticles with an average size of 3 nm. These nanoparticles were then completely characterized by UV-Visible spectroscopy, Transmission Electron Microscopy, Energy Dispersive Analysis of X-Rays, X-ray diffraction analysis and Fourier Transform Infrared analysis. (C) 2017 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.matlet.2017.06.089}, author = {Khan, Mamatha R. Shadab and Salunkhe, Pooja and Satpute, Shruti and Kendurkar, Shuchishweta and Prabhune, Asmita and Deval, Animesh and Chaudhari, Bhushan P.} } @article {45742, title = {Ratiometric sensor for DNA based on a dual emission Ru(dppz) light-switch complex}, journal = {Dalton Transactions}, volume = {46}, year = {2017}, month = {MAY }, pages = {6079-6086}, type = {Article}, abstract = {

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

}, issn = {1477-9226}, doi = {10.1039/c7dt00801e}, author = {Walker, Michael G. and Ramu, Vadde and Meijer, Anthony J. H. M. and Das, Amitava and Thomas, Jim A.} } @article {43810, title = {Reactivity of difunctional polar monomers and ethylene copolymerization: a comprehensive account}, journal = {Macromolecules}, volume = {50}, year = {2017}, month = {AUG}, pages = {5748-5758}, type = {Article}, abstract = {A comprehensive picture of insertion of 1,1-disubstituted difunctional olefins, their ability to double the functional group density at the same level of incorporation as that of monofunctional olefin, and copolymerization with ethylene has been demonstrated. Exposure of a palladium complex [{P boolean AND O}PdMe(L)] (P boolean AND O = kappa(2)-P,O-Ar2PC6H4SO2O with Ar = 2-MeOC6H4.; L = C2H6OS) to methyl 2-acetamidoacrylate (MAAA) revealed slight preference for 1,2-insertion over 2,1-insertion (1.0:0.7). In contrast, insertion of electron-deficient 2-(trifluoromethyl)acrylic acid (TFMAA) unveiled selective 2,1-insertion {via [(P boolean AND O)PdC5H6F3O2] (11)1. The unstable intermediate 11 undergoes beta-hydride and beta-fluoride elimination to produce subsequent insertion and elimination products. The identity of elimination products (E/Z)-2-trifluoromethyl)but-2-enoic acid [17(E/Z)] and 2-(difluoromethylene)butanoic acid (13) was fully established by 1-2D NMR spectroscopy. These insertion experiments, taken together with insertion rates, suggest that MAAA and TFMAA. are amenable to insertion. Polymerization of ethylene with MAAA, TFMAA, acetamidoacrylic acid, 2-bromoacrylic acid, dimethyl allylmalonate, and allylmalonic acid was catalyzed by [{P boolean AND O}PdMe(L)] (L = C2H3N) (S.ACN), and the highest incorporation of 11.8\% was observed for dimethyl allylmalonate (DMAM). The changes in the surface properties of the copolymers after incorporation of difunctional olefins were evaluated by measuring the water contact angle. Copolymer with highest (11.8\% of DMAM) incorporation revealed a reduced water contact angle of 76 degrees. These findings demonstrate that 1,1-disubstituted difunctional olefins are amenable to polymerization, and incorporation of difunctional olefins In polyethylene backbone leads to the production of relatively hydrophilic polyethylene copolymers.}, doi = {10.1021/acs.macromol.7b01356}, author = {Gaikwad, Shahaji R. and Deshmukh, Satej S. and Koshti, Vijay S. and Poddar, Suparna and Gonnade, Rajesh G. and Rajamohanan, Pattuparambil R. and Chikkali, Samir H.} } @article {44044, title = {Recovery of radio-cesium from actual high level liquid waste using solvents containing calix[4]arene-crown-6 ligands}, journal = {Journal of Environmental Chemical Engineering}, volume = {5}, year = {2017}, month = {AUG}, chapter = {4134-4140}, abstract = {

This paper gives two methods, viz. a solvent extraction method and a hollow fiber contactor based liquid membrane method, for the separation of radio-cesium from actual high level liquid waste (HLLW) solutions using calix[4]arene-crown-6 based solvent systems. While the solvent extraction method involved calix[4]arene-bis-benzo-crwon-6 (CBC) in PTMS (phenyltrifluoromethyl sulphone), the hollow fiber supported liquid membrane method used a polysulphone fiber containing contactor and bis-octyl-benzo-calix[4]arene-mono-crown-6 (CMC) in 40\% iso-decanol + 60\% n-dodecane. Both methods reported selective radio-cesium separation with almost no contamination from the associated fission product radionuclides. The radiolytic stability of the hollow fiber contactor was checked by keeping the contactor module in contact with the diluted HLLW for 50 days. The second run carried out after 50 days resulted in excellent reproducibility suggesting efficacy of this method for radioactive waste remediation.

}, keywords = {137Cs, Calix-crown-6, Cesium, fibers, Fission products, Hollow fiber contactor, Liquid membranes, liquids, PUREX-HLLW, Radioactive wastesSolvent extraction, solvent extraction, Solvents}, issn = {2213-3437}, doi = {10.1016/j.jece.2017.07.055}, author = {Jagasia, P. and Dhami, P. S. and Mohapatra, P. K. and Ansari, S. A. and Jadhav, S. Y. and Kalyankar, G. K. and Gandhi, P. M. and Kharul, U. K.} } @article {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.} } @conference {43743, title = {Resistin mediates sex-dependent effects of perivascular adipose tissue on vascular function in the shrsp}, booktitle = {20th Annual Meeting of the Scottish-Cardiovascular-Forum}, volume = {103}, year = {2017}, month = {APR}, pages = { A3-A3}, type = {Meeting Abstract }, doi = {10.1136/heartjnl-2017-311433.6}, author = {McNeilly, Sarah and Small, Heather Y. and Mary, Sheon and Sheikh, Adam and Delles, Christian} } @article {44174, title = {Resolution of the identity and cholesky representation of EOM-MP2 approximation: implementation, accuracy and efficiency}, journal = {Journal of Chemical Sciences}, volume = {129}, year = {2017}, month = {OCT}, pages = {1611-1626}, type = {Article}, abstract = {We present a Resolution of Identity and Cholesky Decomposition Based Implementation of EOM-MP2 approximation. The RI and CD based EOM-MP2 shows significant speed-up and less storage requirement than the conventional canonical version and can be applied to very large systems. The new algorithm used for this implementation eliminates the most storage requiring four-index quantities resulting in the decrease of storage requirement, reduction in I/O penalties and improved parallel performance, at the expense of more floating point operations. Therefore, the speed-up compared to conventional EOM-MP2 method is more prominent in case of EA, EE and SF case where the storage bottleneck is significant than the EOM-IP-MP2 method, where the storage requirement is significantly less. However, the RI/CD based EOM-IP-MP2 can be coupled with frozen natural orbitals to gain further speed-up.}, keywords = {CC, CD, Cholesky decomposition, EA, EE, electron attachment, electron correlation, EOM, equation-of-motion, excited state, ionization, IP, MP2, Resolution-of-identity, RI, SF, spinflip}, issn = {0974-3626}, doi = {10.1007/s12039-017-1378-z}, author = {Kumar, Dinesh and Dutta, Achintya Kumar and Manohar, Prashant Uday} } @article {45670, title = {Revisiting HOPG superlattices: structure and conductance properties}, journal = {Surface Science}, volume = { 658 }, year = {2017}, month = {APR}, pages = {55-60}, type = {Article}, abstract = {Superlattices observed on highly oriented pyrolytic graphite (HOPG) have been studied extensively by scanning tunnelling microscopy (STM). The interest in the study of graphite superlattices has seen a resurgence since the discovery of graphene. Single layer graphene, bilayer graphene, and few layer graphene can now be grown on different substrates. The adherence of graphene to various substrates often leads to a periodic out-of-plane modulation and superlattices due to lattice mismatch. In this paper, we report STM imaging and scanning tunnelling spectroscopy (STS) of different kinds of superlattices on HOPG characterized by a variation in lattice periodicities. Our study also shows evidence of the displacement of the topmost HOPG layer by scanning different areas of the same superlattice. A correlation between the lattice periodicity with its conductance properties is derived. The results of this work are important for understanding the origin of the superlattice structure on HOPG. Investigation of such superlattices may open up possible ways to modify two dimensional electron systems to create materials with tailored electronic properties.}, doi = {10.1016/j.susc.2016.12.002}, author = {Patil, Sumati and Kolekar, Sadhu and Deshpande, Aparna} } @article {45685, title = {Role of spatial inhomogenity in GPCR dimerisation predicted by receptor association-diffusion models}, journal = {Physical Biology}, volume = {14 }, year = {2017}, month = {JUN}, pages = {036002}, type = {Article}, abstract = {G protein-coupled receptor (GPCR) association is an emerging paradigm with far reaching implications in the regulation of signalling pathways and therapeutic interventions. Recent super resolution microscopy studies have revealed that receptor dimer steady state exhibits sub-second dynamics. In particular the GPCRs, muscarinic acetylcholine receptor M-1 (M1MR) and formyl peptide receptor (FPR), have been demonstrated to exhibit a fast association/dissociation kinetics, independent of ligand binding. In this work, we have developed a spatial kinetic Monte Carlo model to investigate receptor homo-dimerisation at a single receptor resolution. Experimentally measured association/dissociation kinetic parameters and diffusion coefficients were used as inputs to the model. To test the effect of membrane spatial heterogeneity on the simulated steady state, simulations were compared to experimental statistics of dimerisation. In the simplest case the receptors are assumed to be diffusing in a spatially homogeneous environment, while spatial heterogeneity is modelled to result from crowding, membrane micro-domains and cytoskeletal compartmentalisation or {\textquoteright}corrals{\textquoteright}. We show that a simple association-diffusion model is sufficient to reproduce M1MR association statistics, but fails to reproduce FPR statistics despite comparable kinetic constants. A parameter sensitivity analysis is required to reproduce the association statistics of FPR. The model reveals the complex interplay between cytoskeletal components and their influence on receptor association kinetics within the features of the membrane landscape. These results constitute an important step towards understanding the factors modulating GPCR organisation.}, doi = {10.1088/1478-3975/aa6b68}, author = {Deshpande, Sneha A. and Pawar, Aiswarya B. and Dighe, Anish and Athale, Chaitanya A. and Sengupta, Durba} } @article {44109, title = { Role of the pair correlation function in the dynamical transition predicted by mode coupling theory}, journal = {Physical Review Letters}, volume = {119}, year = {2017}, month = {DEC}, type = {Article}, abstract = {In a recent study, we have found that for a large number of systems the configurational entropy at the pair level S-c2, which is primarily determined by the pair correlation function, vanishes at the dynamical transition temperature T-c. Thus, it appears that the information of the transition temperature is embedded in the structure of the liquid. In order to investigate this, we describe the dynamics of the system at the mean field level and, using the concepts of the dynamical density functional theory, show that the dynamical transition temperature depends only on the pair correlation function. Thus, this theory is similar in spirit to the microscopic mode coupling theory (MCT). However, unlike microscopic MCT, which predicts a very high transition temperature, the present theory predicts a transition temperature that is similar to T-c. This implies that the information of the dynamical transition temperature is embedded in the pair correlation function.}, doi = {10.1103/PhysRevLett.119.265502}, author = {Nandi, Manoj Kumar and Banerjee, Atreyee and Dasgupta, Chandan and Bhattacharyya, Sarika Maitra} } @article {43726, title = {Secondary interactions arrest the hemiaminal intermediate to invert the modus operandi of schiff base reaction: a route to benzoxazinones}, journal = {Journal of Organic Chemistry}, volume = {82}, year = {2017}, month = {APR}, pages = {4342-4351}, type = {Article}, abstract = {Discovered by Hugo Schiff, condensation between amine and aldehyde represents one of the most ubiquitous reactions in chemistry. This classical reaction is widely used to manufacture pharmaceuticals and fine chemicals. However, the rapid and reversible formation of Schiff base prohibits formation of alternative products, of which benzoxazinones are an important class. Therefore, manipulating the reactivity of two partners to invert the course of this reaction is an elusive target. Presented here is a synthetic strategy that regulates the sequence of Schiff base reaction via weak secondary interactions. Guided by the computational models, reaction between 2,3,4,5,6-pentafluoro-benzaldehyde with 2-amino-6methylbenzoic acid revealed quantitative (99\%) formation of 5-methyl-2-(perfluoropheny01,2-dihydro-4H-benzo[d][1,3]oxazin-4-one (15). Electron donating and electron withdrawing ortho-substituents on 2-aminobenzoic acid resulted in the production of benzoxazinones 936. The mode of action was tracked using low temperature NMR, IN vis spectroscopy, and isotopic (O-18) labeling experiments. These spectroscopic mechanistic investigations revealed that the hemiaminal intermediate is arrested by the hydrogen-bonding motif to yield benzoxazinone. Thus, the mechanistic investigations and DFT calculations categorically rule out the possibility of in situ imine formation followed by ring-closing, but support instead hydrogen-bond assisted ring-closing to prodrugs. This unprecedented reaction represents an interesting and competitive alternative to metal catalyzed and classical methods of preparing benzoxazinone.}, doi = {10.1021/acs.joc.7b00352}, author = {Patel, Ketan and Deshmukh, Satej S. and Bodkhe, Dnyaneshwar and Mane, Manoj and Vanka, Kumar and Shinde, Dinesh and Rajamohanan, Pattuparambil R. and Nandi, Shyamapada and Vaidhyanathan, Ramanathan and Chikkali, Samir H.} } @article {43652, title = {Selection of reference genes for quantitative real-time RT-PCR assays in different morphological forms of dimorphic zygomycetous fungus Benjaminiella poitrasii}, journal = {Plos One}, volume = {12}, year = {2017}, month = {JUN}, pages = {Article Number: e0179454}, abstract = {

Benjaminiella poitrasii, a dimorphic non-pathogenic zygomycetous fungus, exhibits a morphological yeast (Y) to hypha (H) reversible transition in the vegetative phase, sporangiospores (S) in the asexual phase and zygospores (Z) in the sexual phase. To study the gene expression across these diverse morphological forms, suitable reference genes are required. In the present study, 13 genes viz. ACT, 18S rRNA, eEF1a, eEF-Tu, eIF-1A, Tuba, Tub-b, Ubc, GAPDH, Try, WS-21, NADGDH and NADPGDH were evaluated for their potential as a reference, particularly for studying gene expression during the Y-H reversible transition and also for other asexual and sexual life stages of B. poitrasii. Analysis of RT-qPCR data using geNorm, normFinder and BestKeeper software revealed that genes such as Ubc, 18S rRNA and WS-21 were expressed at constant levels in each given subset of RNA samples from all the morphological phases of B. poitrasii. Therefore, these reference genes can be used to elucidate the role of morpho-genes in B. poitrasii. Further, use of the two most stably expressed genes (Ubc and WS-21) to normalize the expression of the ornithine decarboxylase gene (Bpodc) in different morphological forms of B. poitrasii, generated more reliable results, indicating that our selection of reference genes was appropriate.

}, doi = {10.1371/journal.pone.0179454}, author = {Pathan, Ejaj K. and Ghormade, Vandana and Deshpande, Mukund V.} } @article {43997, title = {Selective C-H bond oxidation catalyzed by the Fe-bTAML complex: mechanistic implications}, journal = {Inorganic Chemistry}, volume = {56}, year = {2017}, month = {SEP}, pages = {10852-10860}, type = {Journal Article}, abstract = {Nonheme iron complexes bearing tetradentate N-atom-donor ligands with cis labile sites show great promise for chemoselective aliphatic C-H hydroxylation. However, several challenges still limit their widespread application. We report a mechanism-guided development of a peroxidase mimicking iron complex based on the bTAML macrocyclic ligand framework (Fe-bTAML: biuret-modified tetraamido macrocyclic ligand) as a catalyst to perform selective oxidation of unactivated 3{\textdegree} bonds with unprecedented regioselectivity (3{\textdegree}:2{\textdegree} of 110:1 for adamantane oxidation), high stereoretention (99\%), and turnover numbers (TONs) up to 300 using mCPBA as the oxidant. Ligand decomposition pathways involving acid-induced demetalation were identified, and this led to the development of more robust and efficient Fe-bTAML complexes that catalyzed chemoselective C-H oxidation. Mechanistic studies, which include correlation of the product formed with the FeV(O) reactive intermediates generated during the reaction, indicate that the major pathway involves the cleavage of C-H bonds by FeV(O). When these oxidations were performed in the presence of air, the yield of the oxidized product doubled, but the stereoretention remained unchanged. On the basis of 18O labeling and other mechanistic studies, we propose a mechanism that involves the dual activation of mCPBA and O2 by Fe-bTAML, leading to formation of the FeV(O) intermediate. This high-valent iron oxo remains the active intermediate for most of the reaction, resulting in high regio- and stereoselectivity during product formation. }, doi = {10.1021/acs.inorgchem.7b00453}, author = {Ghosh, M.}, editor = {Pattanayak, S.} } @article {43995, title = {Selective molecular separation by interfacially crystallized covalent organic framework thin films}, journal = {Journal of the American Chemical Society}, volume = {139}, year = {2017}, month = {SEP}, pages = {13083-13091}, type = {Journal Article}, abstract = {Exponential interest in the field of covalent organic frameworks (COFs) stems from the direct correlation between their modular design principle and various interesting properties. However, existing synthetic approaches to realize this goal mainly result in insoluble and unprocessable powders, which severely restrict their widespread applicability. Therefore, developing a methodology for easy fabrication of these materials remains an alluring goal and a much desired objective. Herein, we have demonstrated a bottom-up interfacial crystallization strategy to fabricate these microcrystalline powders as large-scale thin films under ambient conditions. This unique design principle exploits liquid-liquid interface as a platform, allowing simultaneous control over crystallization and morphology of the framework structure. The thin films are grown without any support in free-standing form and can be transferred onto any desirable substrate. The porous (with Tp-Bpy showing highest SBET of 1a151 m2 g-1) and crystalline thin films, having high chemical as well as thermal stability, also hold the merit to tune the thickness as low as sub-100 nm. These nanostructured thin COF films demonstrate remarkable solvent-permeance and solute-rejection performance. A prominent instance is the Tp-Bpy thin film, which displays an unprecedented acetonitrile permeance of 339 L m-2 h-1 bar-1.}, doi = { 10.1021/jacs.7b06640}, author = {Dey, K. and Das, A and Mukherjee, R. and Kharul, U. K. and Banerjee, R.}, editor = {Pal, M.} } @article {45656, title = {Selective molecular sieving in self-Standing porous covalent-Organic-framework membranes}, journal = {Advanced Materials}, volume = {2}, year = {2017}, month = {JAN}, type = {Article}, abstract = {Self-standing, flexible, continuous, and crack-free covalent-organic-framework membranes (COMs) are fabricated via a simple, scalable, and highly cost-effective methodology. The COMs show long-term durability, recyclability, and retain their structural integrity in water, organic solvents, and mineral acids. COMs are successfully used in challenging separation applications and recovery of valuable active pharmaceutical ingredients from organic solvents.}, doi = {10.1002/adma.201603945}, author = {Kandambeth, S. and Biswal, B. P. and Chaudhari, H. D. and Rout, K. C. and Kunjattu, H. S. and Mitra, S. and Karak, S. and Das, A. and Mukherjee, R. and Kharul, U. K. and Banerjee, R.} } @article {42660, title = {Self - assemblies of bolaamphiphilic molecules}, journal = {Chemical Record}, volume = {17}, year = {2017}, month = {NOV}, pages = {1-15}, type = {Article}, chapter = {597-610}, abstract = {

The current buzzword in science and technology is self-assembly and molecular self-assembly is one of the most prominent fields as far as research in chemical and biological sciences is concerned. Generally, self-assembly of molecules occurs through weak non-covalent interactions like hydrogen bonding, π{\textendash}π stacking, hydrophobic effects, etc. Inspired by many natural systems consisting of self-assembled structures, scientists have been trying to understand their formation and mimic such processes in the laboratory to create functional {\textquotedblleft}smart{\textquotedblright} materials, which respond to temperature, light, pH, electromagnetic field, mechanical stress, and/or chemical stimuli. These responses are usually manifested as remarkable changes from the molecular (e. g., conformational state, hierarchical order) to the macroscopic level (e. g., shape, surface properties). Many molecules such as peptides, viruses, and surfactants are known to self-assemble into different structures. Among them, glycolipids are the new entries in the area of molecules that are being investigated for their self-assembly characteristics. Among the different classes of glycolipids like rhamnolipids and trehalose lipids, owing to their biological preparations and their structural novelty, sophorolipids (SLs) are evoking greater interest among researchers. Sophorolipids are a class of asymmetric bolas bearing COOH groups at one end and sophorose (dimeric glucose linked by an unusual β(1{\textrightarrow}2) linkage). The extreme membrane stability of Archaea, attributed to the membrane-spanning bolas (tetraether glycolipids), has inspired chemists to unravel the molecular designs that underpin the self-assembly of bolaamphiphilic molecules. Apart from these self-assembled structures, bolaamphiphiles find applications in many fields such as drug delivery, membrane mimicking, siRNA therapies, etc. The first part of this Personal Account presents some possible self-assembled structures of bolaamphiphiles and their mechanism of formation. The later part covers our work on one of the typical bolaamphiphiles known as sophorolipids.

}, keywords = {Bolaamphiphiles; gels; self-assembly; sophorolipids; vesicles}, issn = {1527-8999}, doi = {10.1002/tcr.201600085}, author = {Dhasaiyan, Prabhu and Bhagavatula L. V. Prasad} } @article {44406, title = {Self-assembly of fluorinated sugar amino acid derived alpha,gamma-cyclic peptides into transmembrane anion transport}, journal = {Organic Letters}, volume = {19}, year = {2017}, month = {NOV}, pages = {5948-5951}, abstract = {Syntheses of fluorinated sugar amino acid derived alpha,gamma-cyclic tetra- and hexapeptides are reported. The IR, NMR, ESI-MS, CD, and molecular modeling studies of cyclic tetra- and hexapeptides showed C-2 and C-3 symmetric flat oval- and triangular-ring shaped, beta-strand conformations, respectively, which appear to self assemble into nanotubes. The alpha,gamma-cyclic hexapeptide (EC50 = 2.14 mu M) is found to be a more efficient ion transporter than alpha,gamma-cyclic tetrapeptide (EC50 = 14.75 mu M). The anion selectivity and recognition of alpha,gamma-cyclic hexapeptide with NO3- ion is investigated.}, doi = {10.1021/acs.orglett.7b02942}, author = {Burade, Sachin S. and Saha, Tanmoy and Bhuma, Naresh and Kumbhar, Navanath and Kotmale, Amol and Rajamohanan, Pattuparambil R. and Gonnade, Rajesh G. and Talukdar, Pinaki and Dhavale, Dilip D.} } @article {44571, title = {Silver sequestration of halides for the activation of Pd(OAc) 2 catalyzed Mizoroki-Heck reaction of 1,1 and 1,2 - Disubstituted alkenes: Ag Sequestration for Pd catalyzed Heck reaction- disubstituted alkenes}, journal = {Applied Organometallic Chemistry}, volume = {32}, year = {2017}, month = {NOV}, pages = {e4159}, abstract = {A ligand free catalytic system consisting of Pd(OAc)2 (cat) and stoichiometric quantities of silver salts, AgOAc or AgBF4, exhibit high efficiency in the Mizoroki-Heck arylation, transforming aryl iodides and 1,1 as well as 1,2 disubstituted alkenes into 1,1,2 {\textendash} trisubstituted aryl alkenes in excellent yields in very short reaction times.}, keywords = {1, 1-disubstituted alkenes, 2-disubstituted alkenes, AgBF4, AgOAc, Mizoroki-Heck reaction}, issn = {0268-2605}, doi = {10.1002/aoc.4159}, author = {Bangar, Pronnoy G. and Jawalkar, Priyanka R. and Dumbre, Swapnil and Patil, Dharmaraj and Iyer, Suresh} } @article {42924, title = {Solid base catalyzed depolymerization of lignin into low molecular weight products}, journal = {Green Chemistry}, volume = {19}, year = {2017}, month = {FEB}, pages = {778-788}, type = {Article}, abstract = {For the biorefinery concept to become commercially viable, it is essential to add value to lignin which is the only naturally available aromatic polymer. A one-pot depolymerization of lignin into reactive substituted phenolic compounds (platform chemicals and octane enhancers) with low molecular weight is of paramount importance and for that, the development of an environmentally benign method is necessary. Herein we report the depolymerization of high molecular weight lignin (60 000 Da) over various recyclable solid base catalysts at 250 degrees C over 1 h. Under these conditions, most of the zeolitic catalysts (NaX, NaY, NaP) showed very high yields of low molecular weight products compared to other catalysts (MgO, CaO, HT, HAP). But in particular, over NaX the maximum yield (51\%) of low molecular weight products was achieved. Identification and quantification of products was done by GC, GC-MS, HPLC, LC-MS, CHNS, NMR and FT-IR techniques. The revelation of retention of most of the functional groups on products present in lignin was confirmed by FT-IR studies. It is observed that the efficiencies of catalysts were dependent on pH, the cation, the type and concentration of basic sites, etc. A unique study on the product adsorption capacities on solids was done and it is recognized that as the strength of basic sites increases, adsorption enhances.}, doi = { 10.1039/c6gc02701f}, author = {Chaudhary, Richa and Dhepe, Paresh Laxmikant} } @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 {43927, title = {Solvent-free synthesis of thiobarbituric acids using amberlyst-15 as a green catalyst}, journal = {Current Green Chemistry}, volume = {3}, year = {2017}, month = {OCT}, type = {Article}, doi = {10.2174/2213346104666170704115006}, author = {Dhonde, Madhukar G. and Gajbhiye, Jayant M. and Katiya, Manish M.} } @inbook {45802, title = {Specific receptors and imaging reagents for certain heavy metal toxins}, booktitle = {Comprehensive supramolecular chemistry II}, volume = {8}, year = {2017}, pages = { 319-349}, publisher = {Elsevier Inc.}, organization = {Elsevier Inc.}, chapter = {Specific receptors and imaging reagents for certain heavy metal toxins}, abstract = {Among various elements, mercury (Hg) and palladium (Pd) are featured in all lists of heavy metal toxins. Mercury is xenobiotics and toxic even at trace levels of exposure either in elemental (if aerosolized) or in its two ionic forms (viz. Hg(I) and Hg(II)). Importantly, the most common oxidation state of mercury is Hg(II) and this has an appreciably high value for enthalpy of solvation in aqueous media. This fact along with a high spin-orbit coupling constant value are not conducive for designing efficient luminescence ON-based receptors for Hg(II), which are essential for either detection or imaging of such toxins inside the cells or in specific organs. Such sensors have significance in evaluating the influence of such toxins in human physiology as well as in clinical diagnostics. Analogously, Palladium (in oxidation states of 0, II, and IV) is commonly used as a catalyst for the synthesis of various drugs or active pharmaceutical intermediates. Despite best efforts in purification and elimination of palladium used in such reactions, residual concentrations of Pd are often higher than the permissible level set by the World Health Organization. The affinity of Pd toward thiol-containing amino acids, proteins, DNA, or other macromolecules is known to cause physiological disorders. All these necessitate the design and development of efficient imaging reagents that are specific toward a certain cationic analytes and allow for the real-time monitoring for assessing the adverse influences on human physiology. Recent advances in such reagents primarily for Hg(II), Pd(0), and Pd(II) are discussed.}, isbn = { 978-012803198-8}, issn = {978-012803199-5}, doi = {10.1016/B978-0-12-409547-2.12617-4}, author = {Anila, H. A. and Ali, F. and Das, A.} } @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 {45689, title = {Stability studies of cuticle degrading and mycolytic enzymes of myrothecium verrucaria for control of insect pests and fungal phytopathogens}, journal = {Indian Journal of Biotechnology}, volume = {16 }, year = {2017}, month = {JUN}, pages = {404-412}, type = {Article}, abstract = {Myrothecium verrucaria produced extracellularly hydrolytic enzymes which can hydrolyse the insect cuticle as well as fungal cell wall. The addition of polyols, such as glycerol, sorbitol, xylitol (1 M) during ultra -filtration or freeze- drying of enzyme mixture increased the recovery of the enzymes in a concentrated form. Polyols (5 M) increased the temperature and pH stability of the enzymes, in the presence of glycerol chitinase, beta-1,3-glucanase, lipase and protease retained 50-60\% of initial activities at 40 degrees C after 3 h. While xylitol (5 M) was effective in stabilizing activities at pH 5.0 and 7.5 at 25 degrees C for 7 d. In the freeze-dried powder form, > 90\% at 4 degrees C for 1 year and 80-85\% at 25 degrees C for 2 months enzyme activities were retained. The addition of glycerol (1 M) to the enzyme mixture protected enzyme activities under sunlight (60-65\% activity at RT) for 5 d. Because of glycerol (1 M), the efficacy of M verrucaria enzyme preparation to control Helicoverpa armigera infestation in chick pea was increased to 70 +/- 19\%. While without glycerol the efficacy was 55 +/- 23\%. The germination of peanut seeds infected with Sclerotium rolfsii was observed to be increased (70 +/- 5\%) in a pot irrigated with enzyme mixture.}, author = {Chavan, S. B and Vidhate, R. P. and Kallure, G. S. and Dandawate, N. L. and Khire, J. M. and Deshpande, M. V.} } @article {43664, title = {Strikingly diverse reactivity of structurally identical silylene and stannylene}, journal = {Dalton Transactions}, volume = {46}, year = {2017}, month = {MAY}, pages = {6528-6532}, abstract = {The reactivity of structurally identical silylene and stannylene [PhC(NtBu)(2)EN(SiMe3)(2)] (E = Si (1) and Sn (2)) towards coinage metals has been explored. While 1 has the propensity to form an adduct with coinage metals (4 and 5), 2 undergoes a ligand exchange reaction with copper halides and silver triflate leading to PhC(NtBu) 2SnX (X = Br (6), Cl (7), and OSO2CF3 (8)) with concomitant formation of [M{N(SiMe3) (2)}] (M = Cu, Ag). However, with AgSbF6 both 1 and 2 led to ion pairs, 9(+) .SbF(6)(-)and 10(+) . SbF(6)(-)displaying weaker Ag center dot center dot center dot center dot F interactions in the latter.}, doi = {10.1039/c7dt01055a}, author = {Parvin, Nasrina and Dasgupta, Rajarshi and Pal, Shiv and Sen, Sakya S. and Khan, Shabana} } @article {45699, title = {Structure-function relationship of a bio-pesticidal trypsin/chymotrypsin inhibitor from winged bean}, journal = {International Journal of Biological Macromolecules}, volume = {96}, year = {2017}, month = {MAR}, pages = {532-537}, type = {Article}, abstract = {

Protease inhibitors are essential bio-molecules that serve as a model system for the study of protein structure and protease-protease inhibitor interaction. We here report a bi-functional serine protease inhibitor from winged bean (WBCTI) that completely retains its inhibitory property against trypsin and chymotrypsin even after heating at 70 degrees C. Detailed circular dichroism and fluorescence studies at different temperatures, 30-90 degrees C, have been performed to understand the reason behind thermal stability of the protein. On the basis of our results it appears that WBCTI maintains its canonical structure up to 70 degrees C. Above that the heat induced conformational change becomes irreversible which causes aggregation followed by precipitation of the protein. Moreover, the activity and stability of the secondary structure are found to decrease drastically in presence of dithiothreitol indicating that the protein acquires additional stability for the occurrence of two disulfide bonds. In addition to the structural characterization, an important property of WBCTI against the polyphagous pest Helicoverpa armigera has been explored in present study. WBCTI has showed reasonable inhibition of the mid-gut proteases of H. armigera. In artificial feeding trial through addition of WBCTI in diet resulted in significant growth retardation, delayed pupae formation and higher mortality of H. armigera larvae. (C) 2016 Elsevier B.V. All rights reserved.

}, keywords = {Disulfide reduction, Heat stable, Pesticidal, Trypsin/Chymotrypsin inhibitor, Winged bean}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2016.12.018}, author = {Banerjee, Sayanika and Giri, Ashok P. and Gupta, Vidya S. and Dutta, Samir Kumar} } @article {44413, title = {Study of nanofiber scaffolds of PAA, PAA/CS, and PAA/ALG for its potential use in biotechnological applications}, journal = {International Journal of Polymeric Materials}, year = {2017}, month = {MAY}, abstract = {In recent times, electrospun nanofibers have been widely studied from several biotechnological approaches; in this work, poly (acrylic acid) solutions mixed with chitosan and alginate were electrospun and characterized in order to determine the behavior of these fibers when used in combination with bacteria, different samples were incubated with the bacterial strains: Streptomyces spp., Micromonospora spp. and Escherichia coli and a OD600 test was performed. The formation of nanofibers via electrospinning and the physicochemical properties of the obtained fibers were evaluated. Results showed that the presence of Chitosan enhanced the thermal stability of poly (acrylic acid), since poly (acrylic acid)/alginate fibers lost 5\% of their mass at 41{\textdegree}C while poly (acrylic acid)/chitosan lost this amount at around 125{\textdegree}C. The fibers demonstrated suitable characteristics to be used as a bacteria bioreactor.}, doi = {10.1080/00914037.2017.1378887}, author = {Rodolfo, Velasco and Ricardo, Vera-Graziano and L{\'o}pez-Maldonado, E.A. and Mercedes, Oropeza and Dastager, Syed and Adriana, {\'A}lvarez-Andrade and Ana, leticia Iglesias and Luis, Jes{\'u}s Villarreal-G{\'o}mez} } @article {43500, title = {Sulfamic acid-catalyzed, environmentally benign synthesis of bis-tetronic acids at ambient temperature}, journal = {Research on Chemical Intermediates}, volume = {43}, year = {2017}, month = {JAN}, pages = {141-152}, abstract = {An enviro-economic protocol has been described for the synthesis of bis-tetronic acids by pseudo-three-component condensation between aldehydes/isatins and tetronic acid using sulfamic acid as a solid acid catalyst. Easy commercial availability of the catalyst at extremely low cost, excellent yields and avoidance of conventional purification procedures are the main merits of this energy efficient protocol.}, doi = {10.1007/s11164-016-2611-y}, author = {Pandit, Kapil S. and Desai, Uday V. and Wadgaonkar, Prakash P. and Kodam, Kisan M.} } @article {44127, title = {Super-resolution probe to monitor HNO levels in the endoplasmic reticulum of cells}, journal = {Analytical Chemistry}, volume = {89}, year = {2017}, month = {NOV}, pages = {12087-12093}, type = {Article}, abstract = {Selective detection of nitroxyl (HNO), which has recently been identified as a reactive nitrogen species, is a challenging task. We report a BODIPY-based luminescence ON reagent for detection of HNO in aqueous solution and in live RAW 264.7 cells, based on the soft nucleophilicity of the phosphine oxide functionality toward HNO. The probe shows high selectivity to HNO over other reactive oxygen/nitrogen and sulfur species. Luminescence properties of the BODIPY-based chemodosimetric reagent make it an ideal candidate for use as a reagent for super-resolution structured illumination microscopy. The viability of the reagent for biological in vivo imaging application was also confirmed using Artemia as a model.}, doi = {10.1021/acs.analchem.7b02567}, author = {Ali, Firoj and Sreedharan, Sreejesh and Ashoka, Anila Hoskere and Saeed, Hiwa K. and Smythe, Carl G. W. and Thomas, Jim A. and Das, Amitava} } @article {45753, title = {Surface disordered rutile TiO2-graphene quantum dot hybrids: a new multifunctional material with superior photocatalytic and biofilm eradication properties}, journal = {New Journal of Chemistry}, volume = {41}, year = {2017}, month = {APR}, pages = {2642-2657}, type = {Article}, abstract = {The controlled introduction of defects in semiconductors has contributed to the development of electronic devices and technologies. Recently, chemical control over defects, formation of new hybrid materials and multifunctional nanostructures have been sought in energy, health, and environment related technologies. Surface-disordered anatase-TiO2 has received wide attention due to its exceptional photocatalytic performance. Herein, we demonstrate, for the first time, a one-step aqueous-phase synthesis of a surface-disordered rutile TiO2-graphene quantum dot (TG) hybrid material. The TG-hybrid is a rutile-TiO2 matrix in which homogeneous in situ insertion of GQDs occurs during the growth of the TiO2 particles. The TG-hybrid material showed superior photocatalytic performance with similar to 98\% solar light driven photo-degradation of methylene blue (MB) dye within 6 min and similar to 86\% of rhodamine-B (RhB) within 4 min which is much better than the photocatalytic performance shown by the rutile-TiO2 (similar to 30\% and similar to 20\%, respectively) and GQDs (similar to 15\% and similar to 8\%, respectively), themselves. Moreover, the TG-hybrid also showed enhanced toxicity to Gram-positive (S. aureus) as well as Gram-negative (E. coli, P. aeruginosa) bacterial cells. The growth-curves of E. coli cells, after incubating them with increasing concentrations of the TG-hybrid, showed that the TG-hybrid could effectively inhibit the growth of E. coli cells at a concentration of 60 mu g mL(-1). The effect of UV-light exposure on the bacterial-biofilm disruption by the TG-hybrid material was also investigated. It was observed that in the presence of UV-light, the biofilm disruption done by the TG-hybrid was larger in comparison to the TiO2 and GQDs alone, under the same conditions. The increase in the formation of reactive oxygen species (ROS) in the presence of sunlight for the TG-hybrid may be the reason behind its superior antibacterial and biofilm eradication properties. We believe that the TG-hybrid material will have applications in energy, health and environment related technologies.}, doi = { 10.1039/c6nj03607d}, author = {Biswas, A. and Salunke, G. and Khandelwal, P. and Das, R. and Poddar, P.} } @article {43671, title = {Synthesis and antimycobacterial screening of new thiazolyl-oxazole derivatives}, journal = {European Journal of Medicinal Chemistry}, volume = {132}, year = {2017}, month = {MAY}, pages = {333-340}, type = {Article}, abstract = {

In the present study a series of 4-methyl-2-aryl-5-(2-aryl/benzyl thiazol-4-yl) oxazole (4a-v) have been synthesized and evaluated for their preliminary antitubercular, antimicrobial and cytotoxicity activity. Among all the synthesized compounds, 4v reported comparable activity against dormant M. tuberculosis H37Ra and M. bovis BCG strains with respect to standard drug rifampicin. The active compounds from the antitubercular study were further tested for anti-proliferative activity against HeLa, A549 and PANC-1 cell lines using MU assay and showed no significant cytotoxic activity at the maximum concentration evaluated. Further, the synthesized compounds were found to have potential antibacterial activities with MIC range of 2.1-26.8 mu g/mL. High potency, lower cytotoxicity and promising antimycobacterial activity suggested that these compounds could serve as good leads for further optimisation and development. (C) 2017 Elsevier Masson SAS. All rights reserved.

}, doi = {10.1016/j.ejmech.2017.03.065}, author = {Abhale, Yogita K. and Sasane, Amit V. and Chavan, Abhijit P. and Shekh, Saddam Husen and Deshmukh, Keshav K. and Bhansali, Sujit and Nawale, Laxman and Sarkar, Dhiman and Mhaske, Pravin C.} } @article {42980, title = {Synthesis and antitubercular activity of new thiazolidinones with pyrazinyl and thiazolyl scaffolds}, journal = {Journal of Heterocyclic Chemistry}, volume = {54}, year = {2017}, month = {JAN}, pages = {125-130}, abstract = {

Emergence of multidrug resistant and extensively drug resistant tuberculosis has prompted to develop new molecular entities to treat the disease. A series of new 4-thiazolidinones with pyrazinyl and thiazolyl scaffolds has been synthesized, and their antitubercular activity is reported. The title 4-thiazolidinones, N-(pyrazinyl substituted thiazoloylamino)-2-aryl-4-thiazolidinones () have been first time prepared using pyrazinamide as a starting material via five successive steps. The purity and the structures of the intermediates (carboethoxythiazole, acid hydrazide, and azomethines) and title thiazolidinones () have been confirmed by TLC and spectral analyses, respectively. An antitubercular screening of the new 4-thiazolidinones has been performed on bacterial strains, Mycobacterium tuberculosis H37Ra and Mycobacterium BCG using the solutions of different concentrations of the compounds () and the screening results are presented. Compound has displayed notable antitubercular activity.

}, doi = {10.1002/jhet.2552}, author = {Dhumal, Sambhaji T. and Deshmukh, Amarsinh R. and Khillare, Lalit D. and Arkile, Manisha A. and Sarkar, Dhiman and Mane, Ramrao A.} } @article {42938, title = {Synthesis and biological evaluation of new fluconazole β-lactam conjugates linked via 1,2,3-triazole}, journal = {New Journal of Chemistry}, volume = {41}, year = {2017}, month = {FEB}, pages = {470-479}, abstract = {

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

}, doi = {10.1039/C6NJ03117J}, author = {Divse, Jaisingh M. and Mhaske, Santosh B. and Charolkar, Chaitanya R. and Sant, Duhita G. and Tupe, Santosh G. and Deshpande, Mukund V. and Khedkar, Vijay M. and Nawale, Laxman U. and Sarkar, Dhiman and Pore, Vandana S.} } @article {44041, title = {Synthesis, antimycobacterial screening and molecular docking studies of 4-aryl-4'-methyl-2'-aryl-2,5'-bisthiazole derivatives}, journal = {Medicinal Chemistry Research}, year = {2017}, month = {JUL}, type = {Article}, abstract = {A series of 4-aryl-4'-methyl-2'-aryl-2,5'-bisthia- zole derivatives (5a{\textendash}o) were synthesized and screened for inhibitory activity against Mycobacterium tuberculosis H37Ra (ATCC 25177) and Mycobacterium bovis BCG (ATCC 35743) strains. Five lead compounds (5e, 5f, 5g, 5h, and 5o) were further confirmed from their dose dependent effect against MTB and Bovine{\textendash}Calmette{\textendash}Guerin. The most promising compounds 5f (MIC90: 11.32 μg/mL), 5h (MIC90: 11.59 μg/mL), and 5o (MIC90: 23.64 μg/mL) showed strong antitubercular activity against dormant MTB and BCG as well as almost insignificant cytotoxicity up to 100μg/mL against HeLa, A549, and PANC-1 human cancer cell lines. Further, the synthesized compounds were found to have potential antibacterial activity against Gram-negative bac- teria, Escherichia coli, Pseudomonas flurescence and Gram- positive bacteria, Staphylococcus aureus, Bacillus subtilis. Most of the synthesized compounds showed moderateactivity against fungal strain Candida albicans. Molecular docking studies of these compounds showed significant interactions with crystal structure of the cytochrome P45014α-sterol demethylase (CYP51) PDB ID: 1E9X. Hydrogen bond interactions with SER261 and VAL395 are important interactions for selective inhibition of designed inhibitors. Compounds 5f, 5h, and 5o showed significant interactions with 1E9X. All the experimental results promote us to consider this series as a starting point for the devel- opment of novel, selective and more potent antitubercular agents in the future.}, doi = {10.1007/s00044-017-1988-5}, author = {Abhale, Yogita K. and Shinde, Abhijit D. and Deshmukh, Keshav K. and Nawale, Laxman U. and Sarkar, Dhiman and Choudhari, Prafulla B. and Kumbhar, Santosh S. and Mhaske, Pravin C.} } @article {43971, title = {Synthesis, antitubercular and antimicrobial potential of some new thiazole substituted thiosemicarbazide derivatives}, journal = {Medicinal Chemistry Research}, volume = {26}, year = {2017}, month = {JUN}, chapter = {2557-2567}, abstract = {

The increase in antibiotic resistance due to multiple factors has warranted the need for the search of new compounds which are active against multidrug resistant pathogens. In this context a small focused library of thiosemicarbazide derivatives of 2-arylthiazole-4-carbaldehyde, 4-methyl-2-arylthiazole-5-carbaldehyde and 1-(4-methyl-2-arylthiazol-5-yl) ethanone, (5a{\textendash}l) has been synthesized. The title compounds were screened for inhibitory activity against Mycobacterium tuberculosis H37Ra (ATCC 25177) and Mycobacterium bovis Bacille Calmette Guerin (ATCC 35743) strains. The synthesized compounds, 5a{\textendash}l were further assayed for their cytotoxic activity against the two human cancer cell lines, HeLa and human colon carcinoma 116 cell lines and showed no significant cytotoxic activity against these two cell lines at the maximum concentration evaluated. Further, the synthesized compounds were found to have potential antibacterial activity against Gram-negative bacteria, Escherichia coli, Pseudomonas flurescence and Gram-positive bacteria, Staphylococcus aureus, Bacillus subtilis. Most of the synthesized compounds showed moderate activity against fungal strain Candida albicans. This study provides valuable directions to our ongoing endeavor of rationally designing more potent antimycobacterial agent. {\textcopyright} 2017, Springer Science+Business Media, LLC.

}, keywords = {Antimicrobial activity, Antitubercular activit, Cytotoxicity, Thiazole, Thiosemicarbazide}, issn = {1054-2523}, doi = {10.1007/s00044-017-1955-1}, author = {Abhale, Y. K. and Shinde, A. and Deshmukh, K. K. and Nawale, L. and Sarkar, D. and Mhaske, P. C.} } @article {43788, title = {Synthesis of amphiphilic isoindigo co-polymers for organic field effect transistors: A comparative study}, journal = {Journal of the apllied polymer science}, volume = {134}, year = {2017}, month = {NOV}, chapter = {45461}, abstract = {

In this work, the amphiphilic isoindigo (am-iInd) based conjugated polymers namely poly(am-iInd-DT) and poly(am-iInd-TT) and their regular counterpart poly(reg-iInd-DT) and poly(reg-iInd-TT) were synthesized to compare their opto-electronic and charge transport properties. They were used to fabricate organic field effect transistors. Charge transport properties in conjugated polymers depend upon intermolecular interaction which is strongly affected by the nature of side chains. The amphiphilic nature of the conjugated polymers has little impact on the charge transport properties. The charge carrier mobility of amphiphilic conjugated polymers was comparable with the regular polymers except poly(reg-iInd-DT) which can be correlated by X-ray diffraction and thin film morphology. (c) 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 45461.

}, keywords = {Alkyl, Applications; Conducting polymers; Copolymers; Optical and Photovoltaic applications, conjugated polymers, High-performance, mobility, Packaging, Semicondoctors, Side-chains, Solar-cells, Thin-film Transformer}, issn = {0021-8995}, doi = {10.1002/app.45461}, author = {Dharmapurikar, Satej S. and Arulkashmir, Arulraj and Mahale, Rajashree Y. and Chini, Mrinmoy Kumar} } @article {43526, title = {Synthesis of extended conjugated indolyl chalcones as potent anti-breast cancer, anti-inflammatory and antioxidant agents}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {27}, year = {2017}, month = {APR}, pages = {1502-1507}, abstract = {In the present investigation, synthesis of a series of extended conjugated delta-chloro-alpha-cyano substituted indolyl chalcones (5a-p) was accomplished by reacting 3-cyanoacetylindole 2 with 3-chloro-3-phenylpropenal 4 in the presence of piperidine. The structural interpretations of newly synthesized compounds were based on chemical and spectroscopic evidences. Anti-tumor evaluation of the synthesized compounds in vitro against MCF-7 (breast carcinoma) cell line revealed that they possess high anti-tumor activities. Among them, compound 5e and 5a demonstrated excellent activity against breast carcinoma (GI(50) <0.1 and mu M respectively) as good as adriamycin (GI(50) <0.1 mu M). The compounds were also screened against the normal Vero monkey cell line, which showed moderate selectivity against inhibition of cancer cells. The effect of extended conjugation on activity authenticated by comparing activity profile of compound 5a, 5i and 5m with their simple analogues. Among the synthesized compounds, 5i and 51 were found to be active anti-inflammatory agents in addition to having noteworthy antioxidant potential. These results suggest the possible use of these compounds for the design and development of novel anti breast cancer agents. (C) 2017 Elsevier Ltd. All rights reserved.}, doi = {10.1016/j.bmcl.2017.02.052}, author = {Bhale, Pravin S. and Chavan, Hemant V. and Dongare, Sakharam B. and Shringare, Sadanand N. and Mule, Yoginath B. and Nagane, Samadhan S. and Bandgar, Babasaheb P.} } @article {43686, title = {Synthesis of gamma-WO3 thin films by hot wire-CVD and investigation of its humidity sensing properties}, journal = {Physica Status Solidi A-Applications and Materials Science}, volume = {214}, year = {2017}, month = {MAY}, pages = {Article Number: 1600717}, type = {Article}, abstract = {In this study, monoclinic tungsten oxide (gamma-WO3) have been grown in a single step using HW-CVD method by resistively heating W filaments in a constant O-2 pressure. The formation of gamma-WO3 was confirmed using low angle-XRD and Raman spectroscopy analysis. Low angle-XRD analysis revealed that as-deposited WO3 film are highly crystalline and the crystallites have preferred orientation along the (002) direction. HRTEM analysis and SAED pattern also show the highly crystalline nature of WO3 with d spacing of similar to 0.38 nm, having an orientation along the (002) direction. Surface topography investigated by SEM analysis shows the formation of a uniform and homogeneous cauliflower like morphology throughout the substrate surface without flaws and cracks. A humidity sensing device incorporating WO3 is also fabricated, which shows a maximum humidity sensitivity factor of similar to 3954\% along with a response time of similar to 14 s and a recovery time of similar to 25 s. The obtained results demonstrate that it is possible to synthesize WO3 in a single step by HW-CVD method and to fabricate a humidity sensor by using it. (C) 2017 WILEY-VCH Verlag GmbH \& Co. KGaA, Weinheim}, doi = {10.1002/pssa.201600717}, author = {Jadkar, Vijaya and Pawbake, Amit and Waykar, Ravindra and Jadhavar, Ashok and Date, Abhijit and Late, Dattatray and Pathan, Habib and Gosavi, Suresh and Jadkar, Sandesh} } @article {43815, title = {Synthesis of meta-substituted monodentate phosphinite ligands and implication in hydroformylation}, journal = {Journal of Chemical Sciences}, volume = {129}, year = {2017}, month = {AUG}, pages = {1143-1152}, type = {Article}, abstract = {Synthesis of meta-substituted phosphinite ligands 3,3{\textquoteright}-(methoxyphosphanediyl) bis(N, N-diethylaniline) (4a) and methoxybis(3-methoxyphenyl) phosphane (4b), in high yields, has been demonstrated. Typical phosphorus chemical shift between 110-120 ppm, appearance of methoxy protons and corresponding carbon, as well as ESI-MS spectra unambiguously confirmed the existence of phosphinite ligands 4a and 4b. To demonstrate the synthetic usefulness of 4a and 4b, these ligands were tested in the rhodium catalyzed hydroformylation of 1-octene. The diethylamine substituted ligand 4a was found to be highly active, whereas 4bwas less reactive but revealed slightly better regioselectivity of 62\% under optimized conditions. Additionally, 4a and 4b were found to catalyze the hydroformylation of styrene, 1-undecenol and 1,1-disubstituted functional olefin, methyl methacrylate. Both the ligands displayed excellent conversion of styrene, and 4b revealed an excellent branch selectivity of 75\%. Although 1-undecenol proved to be amenable to hydroformylation (85-90\% conversion to aldehyde), both the ligands failed to discriminate between the linear and branched products. Substrate methyl methacrylate proved to be highly challenging and reduced conversion (between 33-42\%) was observed under optimized conditions. Ligand 4a was found to be highly selective towards linear aldehyde (81\% linear selectivity).}, doi = {10.1007/s12039-017-1341-z}, author = {Deshmukh, Satej S. and Gaikwad, Shahaji R. and Pandey, Swechchha and Mali, Pramod S. and Chikkali, Samir H.} } @article {44033, title = {Synthesis of orthorhombic-molybdenum trioxide (α-MoO3) thin films by hot wire-CVD and investigations of its humidity sensing properties}, journal = {Journal of Materials Science Materials in Electronics}, volume = {1}, year = {2017}, month = {JUL}, type = {Article}, abstract = {In present work, we report synthesis of orthorhombic-molybdenum trioxide (α-MoO 3) thin films using home-build hot wire-CVD (HW-CVD) method simply by heating the Mo filament in a controlled O 2 atmosphere. The formation of α-MoO 3 was confirmed by low angle-XRD and Raman spectroscopy. Low angle-XRD analysis revealed that α-MoO 3 crystallites have orientations along (110), (101) and (111) directions while Raman spectroscopy analysis shows two prominent vibrational modes ~819 and ~994 cm -1 associated with Mo 2{\textendash}O and Mo=O respectively. SEM and TEM analysis show the formation of nano-sheets like morphology of α-MoO 3 thin films. The SAED pattern shows highly crystalline nature of α-MoO 3. The humidity-sensing properties were investigated at room temperature by fabricating the two probe device. The humidity sensing results showed n-type behavior of α-MoO 3. The maximum humidity sensitivity of ~6957\% along with response time of ~66 s and recovery time of ~5 s were observed for α-MoO 3 thin film humidity sensor device. Our results have opened up a new avenue to grow α-MoO 3 for humidity sensor applications.}, doi = {10.1007/s10854-017-7473-6}, author = {Jadkar, Vijaya and Pawbake, Amit S. and Waykar,Ravindra G. and Jadhavar, Ashok Arjun and Mayabadi, Azam and Date, Abhijit and Late, Dattatray J. and Pathan, Habib M. and Gosavi, Suresh W. and Jadkar, Sandesh R.} } @article {44125, title = {Synthesis route to pyrrolones from -cyano ,-unsaturated ketones and -isocyano esters by oxidative dearomatization of 2-aminofuran intermediates}, journal = {European Journal of Organic Chemistry}, year = {2017}, month = {NOV}, pages = {6427-6433}, type = {Article}, abstract = {An efficient method for the catalyst/promoter-free synthesis of tetrasubstituted furan derivatives proceeding through the [4+1] cycloaddition of isocyanoacetates with electron-deficient olefins was developed. The products were obtained in good to excellent yields without any column chromatography. Oxidative dearomatization of these furans was achieved only in the presence of oxygen, which led to pyrrolones in high yields.}, doi = {10.1002/ejoc.201701194}, author = {Mahida, Anil K. and Kale, Someshwar B. and Das, Utpal} } @article {43533, title = {Targeted drug delivery in covalent organic nanosheets (CONs) via sequential postsynthetic modification}, journal = {Journal of the American Chemical Society}, volume = {139}, year = {2017}, month = {MAR}, pages = {4513-4520}, abstract = {Covalent organic nanosheets (CONs) have emerged as a new class of functional two-dimensional (2D) porous organic polymeric materials with a high accessible surface, diverse functionality, and chemical stability. They could become versatile candidates for targeted drug delivery. Despite their many advantages, there are limitations to their use for target specific drug delivery. We anticipated that these drawbacks could be overturned by judicious postsynthetic modification steps to use CONs for targeted drug delivery. The postsynthetic modification would not only produce the desired functionality, it would also help to exfoliate to CONs as well. In order to meet this requirement, we have developed a facile, salt-mediated synthesis of covalent organic frameworks (COFs) in the presence of p-toluenesulfonic acid (PTSA). The COFs were subjected to sequential postsynthetic modifications to yield functionalized targeted CONs for targeted delivery of 5-fluorouracil to breast cancer cells. This postsynthetic modification resulted in simultaneous chemical delamination and functionalization to targeted CONs. Targeted CONs showed sustained release of the drug to the cancer cells through receptor mediated endocytosis, which led to cancer cell death via apoptosis. Considering the easy and facile COF synthesis, functionality based postsynthetic modifications, and chemical delamination to CONs for potential advantageous targeted drug delivery, this process can have a significant impact in biomedical applications.}, doi = {10.1021/jacs.7b00925}, author = {Mitra, Shouvik and Sasmal, Himadri Sekhar and Kundu, Tanay and Kandambeth, Sharath and Math, Kavya and Diaz Diaz, David and Banerjee, Rahul} } @article {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 {43485, title = {Transition metal catalysis-a unique road map in the stereoselective synthesis of 1,3-polyols}, journal = {Organic \& Biomolecular Chemistry}, volume = {15}, year = {2017}, month = {JAN}, pages = {733-761}, abstract = {The present review summarizes recent diverse reactions employed in the formation of 1,3-polyols providing an overview of the mechanistic pathway and the enantioselectivity obtained, in terms of the properties of transition metals directly involved in the catalytic transformations and their interaction with various ligands.}, doi = {10.1039/c6ob01925k}, author = {Kumar, Pradeep and Tripathi, Divya and Sharma, Brijesh M. and Dwivedi, Namrata} } @article {43388, title = {Transition metal free catalytic hydroboration of aldehydes and aldimines by amidinato silane}, journal = {Dalton Transactions}, volume = {46}, year = {2017}, month = {FEB}, pages = {2420 - 2424}, abstract = {The transition metal free catalytic hydroboration of aldehydes and ketones is very limited and has not been reported with a well-defined silicon(iv) compound. Therefore, we chose to evaluate the previously reported silicon(iv) hydride [PhC(NtBu)2SiHCl2], (1) as a single component catalyst and found that it catalyzes the reductive hydroboration of a range of aldehydes with pinacolborane (HBpin) under ambient conditions. In addition, compound 1 can catalyze imine hydroboration. DFT calculation was carried out to understand the mechanism.}, doi = {10.1039/C6DT04893E}, author = {Bisai, Milan and Pahar, Sanjukta and Das, Tamal and Sen, Sakya S.} } @article {44411, title = {Ultra small nanoclusters to nanoparticles: fine tuning of particle size in water dispersible cation functionalized thiolate protected Pd system}, journal = {Materials Today-Proceedings}, volume = {4}, year = {2017}, month = {MAR}, pages = {9440-9444}, abstract = {Monolayer protected noble metal nanoparticles have attracted considerable attention in the past decade with potential applications in fields ranging from catalysis to biosensors [1, 2,]. We have developed a novel procedure for the synthesis of water dispersible Pd nanoparticles based on a bifunctional ligand, N,N,N-tripropyl(11-mercaptoundecyl) ammonium chloride in which thiol group binds to the metal, hydrophobic middle alkyl chain acts as capping agent and provides steric stability and on the other end the ammonia group helps in making nanoparticles hydrophilic. In this paper, we report the fine-tuning of size of water dispersible Pd nanosystems ranging from clusters to nanoparticles by adjusting the synthetic parameters and their characterization. (C) 2017 Elsevier Ltd. All rights reserved.}, author = {Dhanraj, Prakriti and Samanta, Anupam and Devi, R. Nandini} } @article {43793, title = {Ultrahigh ionic conduction in water-stable close-packed metal-carbonate frameworks}, journal = {Inorganic Chemistry}, volume = {56}, year = {2017}, month = {AUG}, pages = {9710-9715}, type = {Article}, abstract = {Utilization of the robust metal-carbonate backbone in a series of water-stable, anionic frameworks has been harnessed for the function of highly efficient solid-state ion conduction. The compact organization of hydrophilic guest ions facilitates water-assisted ion-conduction in all the compounds. The dense packing of the compounds imparts high ion-conducting ability and minimizes the possibility of fuel crossover, making this approach promising for design and development of compounds as potential components of energy devices. This work presents the first report of evaluating ion-conduction in a purely metal-carbonate framework, which exhibits high ion-conductivity on the order of 10(-2) S cm(-1) along with very low activation energy, which is comparable to highly conducting well-known crystalline coordination polymers or commercialized organic polymers like Nafion.}, doi = {10.1021/acs.inorgchem.7b01217}, author = {Manna, Biplab and Desai, Aamod V. and Illathvalappil, Rajith and Gupta, Kriti and Sen, Arunabha and Kurungot, Sreekumar and Ghosh, Sujit K.} } @article {44087, title = {Understanding alloy structure and composition in sinter-resistant AgPd@SiO2 encapsulated catalysts and their effect on catalytic properties}, journal = {New Journal of Chemistry}, volume = {41}, year = {2017}, month = {DEC}, pages = {14652-14658}, type = {Article}, abstract = {The extent of alloying and the alloy composition, which are crucial in determining the activity and selectivity of bimetallic catalysts, were studied in porous silica encapsulated AgPd catalysts using XRD, HRTEM and HAADF-STEM. Water-dispersible ligand protected Pd ultra-small clusters and Ag nanoparticles of three different sizes were used as the precursors. The high reactivity of Pd ultra-small clusters enhanced the alloying of larger Ag nanoparticles to some extent. Encapsulation appeared to have minimised the sintering of the resultant nanoparticles. The earlier suggestions of the role of d-band positions with respect to adsorption energies holds good for the AgPd system and alloying enhances the activity. Alloy with the composition of Ag50Pd50 was found to be the most active with the reaction rate enhanced two fold compared to that in other compositions. Other factors like particle size and sinter-resistance also played important roles in enhancing the activity of these catalysts.}, doi = {10.1039/c7nj03652c}, author = {Mondal, Sourik and Rajesh, Thattarathody and Dhar, Basab B. and Snellman, Markus and Li, Junjie and Deepak, Francis Leonard and Devi, R. Nandini} } @article {43720, title = {Understanding the factors influencing quality of writing and wiping for chalk and board system}, journal = {Current Science}, volume = {112}, year = {2017}, month = {APR}, pages = {1727-1737}, type = {Article}, abstract = {This article reports the properties of a calcium carbonate-based writing chalk prepared at the CSIR-Central Salt and Marine Chemicals Research Institute (CSIR-CSMCRI) and, further, our efforts to understand the process of writing with the chalk on two different boards. The optimum density of the chalk was found to be 1.52 g ml(-1), keeping in mind the careful balancing act between strength and dust-free nature of the chalk on one hand, and the ease of particle transfer onto the board on the other. Writing with the chalk yielded thin and compact appearance on a ceramic board, while that on a polymeric board was relatively broad and dispersed. Atomic force and scanning electron microscopic studies were carried out to rationalize the observation by correlating roughness on the board with the distribution of chalk particles. Wiping efficiency of the polyurethane-based duster prepared at CSIR-CSMCRI was compared with commercial duster, and the observations rationalized again with the scanning electron microscopy.}, doi = {10.18520/cs/v112/i08/1727-1737}, author = {Thakur, Rajendra S. and Shukla, Jignesh J. and Desale, Girish R. and Ghosh, Pushpito K.} } @article {43866, title = {Unprecedented solvent induced inter-conversion between monomeric and dimeric silylene-zinc iodide adducts}, journal = {Dalton Transaction }, volume = {46}, year = {2017}, month = {SEP}, chapter = {11418-11424}, abstract = {

Usually, when a silylene reacts with a transition metal Lewis acid, it forms an adduct which could be either monomeric or dimeric. However, we present here that a silylene, [PhC(NtBu)(2)SiN(SiMe3)(2)] can form both monomeric [PhC(NtBu)(2)Si{N(SiMe3)(2)} -\> ZnI2]center dot THF (1) and dimeric [{PhC(NtBu)(2)}(N(SiMe3)(2))SiZnI,(mu-I)](2) (2) adducts upon reaction with ZnI2. The formation of 1 and 2 relies upon the solvent used for the reaction or crystallization. When the crystallization is carried out in THF complex 1 is formed, however, when the reaction and crystallization are performed in acetonitrile complex 2 is obtained. Both 1 and 2 were structurally authenticated and the nature of the Si-Zn bond in these complexes was determined by quantum chemical calculations. In addition, a spontaneous inter-conversion between 1 and 2 just by changing the solvents has been also observed; a feature presently not known for silylene-transition metal Lewis adducts.

}, keywords = {Bis(Silylene ), Carbene Complexes, Crystal -structure Determination, Dative bond, Lewis acid base reaction, Ligands, Main- group compounds, Reactivity, Silicon(II) Bis(Trimethylsilyl)Amide; Carbonyl-Complexes}, issn = {1477-9226}, doi = {10.1039/c7dt01823a}, author = {Yadav, Sandeep and Sangtani, Ekta and Dhawan, Diksha and Gonnade, Rajesh G. and Ghosh, Debashree and Sen, Sakya S.} } @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 {44408, title = {ZnO{\textendash}ZnS heterojunctions: a potential candidate for optoelectronics applications and mineralization of endocrine disruptors in direct sunlight}, journal = {ACS Omega}, volume = {2}, year = {2017}, month = {OCT}, pages = {6768{\textendash}6781}, type = {Article}, abstract = {

Simple solution combustion synthesis was adopted to synthesize ZnO{\textendash}ZnS (ZSx) nanocomposites using zinc nitrate as an oxidant and a mixture of urea and thiourea as a fuel. A large thiourea/urea ratio leads to more ZnS in ZSx with heterojunctions between ZnS and ZnO and throughout the bulk; tunable ZnS crystallite size and textural properties are an added advantage. The amount of ZnS in ZSx can be varied by simply changing the thiourea content. Although ZnO and ZnS are wide band gap semiconductors, ZSx exhibits visible light absorption, at least up to 525 nm. This demonstrates an effective reduction of the optical band gap and substantial changes in its electronic structure. Raman spectroscopy, transmission electron microscopy, X-ray photoelectron spectroscopy, and secondary-ion mass spectrometry results show features due to ZnO and ZnS and confirm the composite nature with heterojunctions. The above mentioned observations demonstrate the multifunctional nature of ZSx. Bare ZSx exhibits a promising sunlight-driven photocatalytic activity for complete mineralization of endocrine disruptors such as 2,4-dichlorophenol and endosulphan. ZSx also exhibits photocurrent generation at no applied bias. Dye-sensitized solar cell performance evaluation with ZSx shows up to 4\% efficiency and 48\% incident photon conversion efficiency. Heterojunctions observed between ZnO and ZnS nanocrystallites in high-resolution transmission electron microscopy suggest the reason for effective separation of electron{\textendash}hole pairs and their utilization.

}, doi = {10.1021/acsomega.7b01172}, author = {Perumal Devaraji and Maitri Mapa and Hasna M. Abdul Hakkeem and Vediappan Sudhakar and Kothandam Krishnamoorthy and Chinnakonda S. Gopinath} } @article {44162, title = {Active and durable alkaline earth metal substituted perovskite catalysts for dry reforming of methane}, journal = {Applied Catalysis B - Environmental}, volume = {224}, year = {2018}, month = {MAY}, pages = {146-158}, type = {Article}, abstract = {Dry reforming of methane is an important process for the utilization of CO2 and to get valuable synthesis gas. Alkaline earth metal substituted MZr1-xNixO3-delta perovskites were synthesized by citrate gel method, characterized and evaluated for dry reforming methane. Characterization results show that the type of alkaline earth substituted at the A site of the perovskite oxide plays an important role in terms of structure, basicity, oxygen deficiency and Ni dispersion. Calcium substituted CaZr0.8Ni0.2O3-delta catalyst shows superior activity in terms of high CH4 and CO2 conversion, while maintaining the activity even after 500 h of reaction. Mechanistic investigations were carried out using transient pulse experiments and insitu FTIR-diffuse reflectance spectroscopy. These experiments reveal that redox property and basicity play important role in activation and sustaining the reforming reaction. Insitu FTIR measurements show that surface hydroxyl groups of the support are vital for high activity and durability of CaZr0.8Ni0.2O3-delta catalyst. XRD and TGA analysis of catalysts after reaction show the structures are retained, but peaks pertaining to coke were observed on SrZr0.8Ni0.2O3-delta and BaZr0.8Ni0.2O3-delta catalysts. On the otherhand, CaZr0.8Ni0.2O3-delta catalyst had only amorphous carbon even after 500 h of reaction. HRTEM studies revealed that SrZr0.8Ni0.2O3-delta and BaZr0.8Ni0.2O3-delta catalysts deactivated mostly due to the formation of carbon nanotubes with Ni embedded in them. Raman and XPS analysis helped in identifying types of coke precursors present on the catalysts. The investigation also illustrate that type of carbon formed depends on the basicity of perovskite oxide, metal to support interaction, Ni crystallite size, surface hydroxyl groups and oxygen defects. This study clearly demonstrated that CaZr0.8Ni0.2O3-delta is an excellent catalyst for dry reforming reaction with long life.}, doi = {10.1016/j.apcatb.2017.10.048}, author = {Dama, Srikanth and Ghodke, Seema R. and Bobade, Richa and Gurav, Hanmant R. and Chilukuri, Satyanarayana} } @article {45350, title = {Alkaline earth metal compounds of methylpyridinato beta-diketiminate ligands and their catalytic application in hydroboration of aldehydes and ketones}, journal = {Organometallics }, volume = { 37}, year = {2018}, month = {DEC}, pages = {4576-4584}, type = {Article }, abstract = {

Ever increasing demand for green and sustainable chemical processes has set up a drive to replace transition metals with earth-abundant, nontoxic, and environmentally benign alternatives. In this regard, the alkaline earth metal complexes have attracted significant attention. Herein, we have used a beta-diketiminato ligand with methyl-pyridine side arm to synthesize magnesium (1) and calcium (2) compounds. The constitutions of 1 and 2 have been confirmed by single crystal X-ray studies, which show that the magnesium and calcium atom in 1 and 2 possesses octahedral geometry. Subsequently, we have used them as catalysts (1 mol \%) for hydroboration of a wide range of aldehydes using pinacolborane (HBpin) at room temperature. The strategy has further been extended to ketones with 2 mol \% catalyst loading. DFT calculations have been performed to understand the mechanism.

}, issn = {0276-7333}, doi = {10.1021/acs.organomet.8b00568}, author = {Yadav, Sandeep and Dixit, Ruchi and Bisai, Milan Kumar and Vanka, Kumar and Sen, Sakya S.} } @article {44204, title = {Beyond hydrofunctionalisation: a well-defined calcium compound catalysed mild and efficient carbonyl cyanosilylation}, journal = {Chemistry-A European Journal}, volume = {24}, year = {2018}, month = {JAN}, pages = {1269-1273}, type = {Article}, abstract = {

Organocalcium compounds have been reported as efficient catalysts for various transformations, for cases in which one of the substrates contained an E-H (E=B, N, Si, P) bond. Here, we look at the possibility of employing an organocalcium compound for a transformation in which none of the precursors has a polar E-H bond. This study demonstrates the utilization of a well-defined amidinatocalcium iodide, [PhC(NiPr)(2)CaI] (1) for cyanosilylation of a variety of aldehydes and ketones with Me3SiCN under ambient conditions without the need of any co-catalyst. The reaction mechanism involves a weak adduct formation between 1 and Me3SiCN leading to the activation of the Si-C bond, which subsequently undergoes sigma-bond metathesis with a C=O moiety. Such a mechanistic pathway is unprecedented in alkaline earth metal chemistry. Experimental and computational studies support the mechanism.

}, keywords = {Ca catalysis, carbonyls, cyanosilylation, Density functional calculations, transition-metal free}, issn = {0947-6539}, doi = {10.1002/chem.201705795}, author = {Yadav, Sandeep and Dixit, Ruchi and Vanka, Kumar and Sen, Sakya S.} } @article {43958, title = {Bifunctional role of Pd/MMT-K 10 catalyst in direct transformation of furfural to 1,2-pentanediol}, journal = {Catalysis Today}, volume = {309}, year = {2018}, month = {JUL}, pages = {195-201}, type = {Article}, abstract = {

The acid functionality of montmorillonite clay K 10 (MMT-K 10) was found to play a key role to give 1,2-pentanediol (1,2-PeDO) in Pd catalysed furfural hydrogenation. Among various Pd loadings on MMT-K 10, 3\% Pd/MMT-K 10 catalyst exhibited excellent performance giving almost complete conversion of FFR and the highest selectivity of 66\% to 1,2-PeDO. Py-IR of the catalyst evidenced the presence of Br{\o}nsted acidity which was responsible in C5-O cleavage of furan ring after the formation of furfuryl alcohol which is the first step intermediate in FFR hydrogenation. At a lower temperature of 140 {\textdegree}C, highest selectivity of 56\% was achieved for FAL while increase in temperature to 220 {\textdegree}C, enhanced the selectivity to 1,2-PeDO. Keeping the temperature constant at 220 {\textdegree}C, with increase in H2 pressure from 500 to 750 psig, resulted in decrease in 1,2-PeDO selectivity from 66 to 34\% with proportionate increase in THFAL selectivity. Thus as per the requirement, the product selectivities can be tailored by varying the reaction parameters suitably. Several control experiments were also performed the results of which combined with the characterization data allowed to propose a plausible reaction pathway for the formation of 1,2-PeDO.

}, doi = {10.1016/j.cattod.2017.08.002}, author = {Date, Nandan S. and Chikate, Rajeev C. and Roh, Hyun-Seog and Rode, Chandrashekhar V.} } @article {44370, title = {Bimetallic Au-Ag/Al2O3 as efficient catalysts for the hydrocarbon selective reduction of NOx from lean burn engine exhaust}, journal = {Catalysis Today}, volume = {306}, year = {2018}, month = {MAY}, pages = {23-31}, type = {Article}, abstract = {Catalytic properties of Au-Ag/Al2O3 catalysts, prepared by successive impregnation, have been investigated for the hydrocarbon selective catalytic reduction (HC-SCR) of NOx. The performances of pre-reduced and aged catalysts were evaluated on synthetic reaction mixtures with gas compositions representative of the exhaust of Diesel powered engines. An optimal 2 wt.\% Ag loading was chosen and the order of introduction during sequential impregnation of Ag or Au on respectively pre-impregnated Au/Al2O3 and Ag/Al2O3 substrates was investigated revealing drastic changes on the catalytic properties after aging. XPS analysis shows a significant silver enrichment irrespective of the preparation route and aging conditions whereas ex situ UV-vis DRS analysis reveals significant electronic disturbances which reflect different interactions between Au and Ag in fresh and aged Au-Ag/Al2O3 and Ag-Au/Al2O3 catalysts. As a consequence, significant rate enhancements in NOx conversion were observed with the superior performance of Au-Ag/Al2O3 but a lower resistance to deactivation at high temperature explained by different behaviour towards redispersion/agglomeration processes highlighted from TEM observations. (C) 2016 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.cattod.2016.12.002}, author = {More, P. M. and Dongare, M. K. and Umbarkar, S. B. and Granger, P. and Dujardin, C.} } @article {45445, title = {Biomass-mediated synthesis of Cu-doped TiO2 nanoparticles for improved-performance lithium-ion batteries}, journal = {ACS Omega}, volume = {3}, year = {2018}, month = {OCT}, pages = {13676-13684}, type = {Article}, abstract = {

Pure TiO2 and Cu-doped TiO2 nanoparticles are synthesized by the biomediated green approach using the Bengal gram bean extract. The extract containing biomolecules acts as capping agent, which helps to control the size of nanoparticles and inhibit the agglomeration of particles. Copper is doped in TiO2 to enhance the electronic conductivity of TiO2 and its electrochemical performance. The Cu-doped TiO2 nanoparticle-based anode shows high specific capacitance, good cycling stability, and rate capability performance for its envisaged application in lithium-ion battery. Among pure TiO2, 3\% Cu-doped TiO2, and 7\% Cu-doped TiO2 anode, the latter shows the highest capacity of 250 mAh g(-1) (97.6\% capacity retention) after 100 cycles and more than 99\% of coulombic efficiency at 0.5 A g(-1) current density. The improved electrochemical performance in the 7\% Cu-doped TiO2 is attributed to the synergetic effect between copper and titania. The results reveal that Cu-doped TiO2 nanoparticles might be contributing to the enhanced electronic conductivity, providing an efficient pathway for fast electron transfer.

}, doi = {10.1021/acsomega.8b01903}, author = {Kashale, Anil A. and Dwivedi, Pravin K. and Sathe, Bhaskar R. and Shelke, Manjusha V. and Chang, Jia-Yaw and Ghule, Anil V.} } @article {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 {44638, title = {Cascade synthesis of 5-(Acetoxymethyl) furfural from carbohydrates over Sn-mont catalyst}, journal = {ChemistrySelect}, volume = {3}, year = {2018}, month = {AUG}, pages = {8770-8778}, abstract = {

The 5-(Acetoxymethyl)furfural (AcMF) is emerged as an important alternative for 5-(hydroxymethyl)furfural (HMF). It is also a starting material for those products which are typically prepared from HMF. The growing importance of AcMF encouraged us to prepare it directly from cheap and abundant carbohydrates. The production AcMF from glucose and glucose-like carbohydrates is an exigent assignment, owing to tough isomerisation of glucose to fructose. The Sn-Mont catalyst having a unique combination of Lewis as well as Bronsted acid sites was employed for direct glucose conversion into AcMF. Lewis acid sites of Sn-Mont facilitate the isomerisation of glucose to fructose. At the same time, dehydrative-esterification of fructose to AcMF is catalyzed by Bronsted acid sites of Sn-Mont. Different concentrations of Sn containing Sn-Mont catalysts were by prepared mixing montmorillonite clay with different molar concentration (e.g. 0.1 M-0.4 M) of aqueous solutions of SnCl4 center dot 5H(2)O. AcMF was produced in as high as 43\% yield directly from glucose over Sn-Mont(0.3 M) catalyst owing to its highest acid strength. The efficacy of Sn-Mont(0.3 M) catalyst was also probed for sucrose and fructose that resulted in 53\% and 58\% yield of AcMF, respectively. The critical properties of all the prepared Sn-Mont catalysts were investigated through XRD, BET surface area, ICP-OES, temperature-programmed desorption of NH3 and pyridine-FTIR and XPS techniques.

}, keywords = {5-(Acetoxymethyl)furfural, Bronsted/Lewis acid, carbohydrates, Dehydrative-esterification, Sn-Mont}, issn = {2365-6549}, doi = {10.1002/slct.201802040}, author = {Shinde, Suhas and Deval, Kashmira and Chikate, Rajeev and Rode, Chandrashekhar} } @article {44198, title = {Catalyst-free oxidation of sulfides to sulfoxides and diethylamine catalyzed oxidation of sulfides to sulfones using Oxone as an oxidant (vol 43, pg 6875, 2017)}, journal = {Research on Chemical Intermediates}, volume = {44}, year = {2018}, month = {FEB}, pages = {1437}, type = {Article}, issn = {0922-6168}, doi = {10.1007/s11164-017-3137-7}, author = {Kupwade, R. V. and Khot, S. S. and Lad, U. P. and Desai, U. V. and Wadgaonkar, P. P.} } @article {45397, title = {Characterization of mineral phosphate solubilizing and plant growth promoting bacteria from termite soil of arid region}, journal = {3 Biotech}, volume = {8}, year = {2018}, month = {OCT}, type = {Article}, abstract = {Five highly efficient phosphate solubilizing bacteria, viz., Pantoea sp. A3, Pantoea sp. A34, Kosakonia sp. A37, Kosakonia sp. B7 and Bacillus sp. AH9 were isolated from termitorial soils of Sanjivani island of southern Maharashtra, India. These isolates were characterized and explored for phosphate solubilization and plant growth promotion. Among these, Bacillus sp. AH9 showed highest phosphate solubilization index (3.5) and solubilization efficiency (250\%) on Pikovskaya agar. Interestingly, Pantoea sp. A34 displayed maximum mineral phosphate solubilization (1072.35mg/L) in liquid medium and during this period the pH dropped to 3.13. All five isolates had highest P solubilization at 48h after inoculation. During mineral phosphate solubilization, both gluconic acid and 2-keto gluconic acid were produced by Kosakonia and Bacillus isolates, while only 2-keto gluconic acid was detected in Pantoea isolates. Highest organic acid (39.07 +/- 0.04g/L) production was envisaged in Bacillus sp. AH9, while Pantoea sp. A34 produced the least amount (13.00 +/- 0.01g/L) of organic acid. Seed bacterization with Pantoea sp. A3 and Kosakonia sp. A37 resulted in 37\% and 53\% increase in root length of tomato seedlings, respectively, while Pantoea sp. A34 and Kosakonia sp. B7 had deleterious effects on root length as well as overall growth of the seedlings. To our knowledge, this is the first report of plant growth promoting potential of microorganisms isolated from termitorial soil of Sanjivani island, which is a drought-prone area. Therefore, such efficient growth promoting P solubilizers can offer an effective solution for sustainable agriculture in arid, dryland farming and drought-prone regions.}, issn = { 2190-572X}, doi = { 10.1007/s13205-018-1488-4}, author = {Chakdar, Hillol and Dastager, Syed G. and Khire, Jayant M. and Rane, Digeshwar and Dharne, Mahesh S.} } @article {44429, title = {Chemical oxidative and solid state synthesis of low molecular weight polymers for organic field effect transistors}, journal = {Chemical Physics Letters}, volume = {696}, year = {2018}, month = {MAR}, pages = {48-54}, abstract = {Solution processability of the precursor molecules is a major issue owing to their limited solubility for the synthesis of conjugated polymers. Therefore, we favour the solvent free solid state chemical oxidative polymerization route for the synthesis of diketopyrrolopyrrole (DPP) based donor-acceptor (D-A) type conjugated polymers. D-A type polymer Poly(S-OD-EDOT) which contains DPP coupled with EDOT donor units is synthesized via solid state polymerization method. The polymer is employed as an active layer for organic field-effect transistors to measure charge transport properties. The Polymer shows good hole mobility 3.1 x 10(-2) cm(2) V-1 s(-1), with a on/off ratio of 1.1 x 10(3). (C) 2018 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.cplett.2018.02.021}, author = {Mahale, Rajashree Y. and Dharmapurikar, Satej S. and Chini, Mrinmoy Kumar} } @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 {44432, title = {Co-gasification of high ash coal{\textendash}biomass blends in a fluidized bed gasifier: experimental study and computational intelligence-based modeling}, journal = {Waste and Biomass Valorization}, volume = {11}, year = {2018}, month = {JUN}, pages = {1-19}, type = {Article}, abstract = {Co-gasification (COG) is a clean-coal technology that uses a binary blend of coal and biomass for generating the product gas; it is environment-friendly since it emits lesser quantities of pollutants compared to the coal gasification process. Although coals found in many countries contain high percentages of ash, co-gasification studies involving such coals, and the process modeling thereof, are rare. Accordingly, this study presents results of the co-gasification experiments conducted in a fluidized-bed gasifier (FBG) pilot plant using as a feed the blends of high ash Indian coals with three biomasses, namely, rice husk, press mud, and sawdust. Since the underlying physicochemical phenomena are complex and nonlinear, modeling of the COG process has been performed using three computational intelligence (CI)-based methods namely, genetic programming, artificial neural networks, and support vector regression. Each of these formalisms was employed separately to develop models predicting four COG performance variables, namely, total gas yield, carbon conversion efficiency, heating value of product gas, and cold gas efficiency. All the CI-based models exhibit an excellent prediction accuracy and generalization performance. The co-gasification experiments and their modeling presented here for a pilot-plant FBG can be gainfully utilized in the efficient design and operation of the corresponding commercial scale co-gasifiers utilizing high ash coals.}, keywords = {Artificial neural networks, Co-gasification, Computational intelligence, Fluidized bed gasifier, genetic programming, support vector regression}, issn = {1877-2641}, doi = {10.1007/s12649-018-0378-7}, author = {Tiwary, Shishir and Ghugare, Suhas B. and Chavan, Prakash D. and Saha, Sujan and Datta, Sudipta and Sahu, Gajanan and Tambe, Sanjeev S.} } @article {45555, title = {Covalent organic frameworks: chemistry beyond the structure}, journal = {Journal of the American Chemical Society}, volume = {141 }, year = {2018}, month = {NOV}, pages = {1807{\textendash}1822}, type = {Article}, abstract = {Covalent organic frameworks (COFs) represent a new field of rapidly growing chemical research that takes direct inspiration from diverse covalent bonds existing between atoms. The success of linking atoms in two and three dimensions to construct extended framework structures moved the chemistry of COFs beyond the structures to methodologies, highlighting the possibility of prospective applications. Although structure to property relation in COFs has led to fascinating properties, chemical stability, processability and scalability were some of the important challenges that needed to be overcome for their successful implementation. In this Perspective, we take a closer look at the growth of COFs from mere supramolecular structures to potential industrializable materials.}, doi = {10.1021/jacs.8b10334}, author = {Kandambeth, S. and Dey, K. and Banerjee, R.} } @book {45564, title = {CRC handbook of terpenoids: triterpenoids volume I: acyclic, monocyclic, bicyclic, tricyclic, and tetracyclic terpenoids}, volume = {1}, year = {2018}, pages = {1-573}, publisher = {CRC Press, Inc.}, organization = {CRC Press, Inc.}, abstract = {This Handbook, pinpoints salient features of known information about Terpenoids in a readily accessible and readable format. Terpenoids have singularly enriched organic chemistry by its variety of structural types, by its wealth of{\textquotedblleft}unexpected{\textquotedblright} reactions, rearrangements and spectral features, and by offering exciting targets for synthesis. Much imaginative experimental work has been invested in exploring their natural pathways. Recent years have revealed an increasingly important biological and ecological role for several of its members.}, issn = {978-135108122}, doi = {10.1201/9781351072779}, url = {https://www.scopus.com/inward/record.url?eid=2-s2.0-85052450204\&partnerID=40\&md5=efc31fc3efbbbb557e420b525e90748a}, author = {Dev, S. and Nagasampagi, B.A.} } @book {45562, title = {CRC handbook of terpenoids: triterpenoids: Volume ii: pentacyclic and hexacyclic triterpenoids}, volume = {2}, year = {2018}, pages = {1-624}, publisher = {CRC Press}, organization = {CRC Press}, abstract = {

A compilation of all the known information on terpenoids specifically triterpenoids, is presented in these volumes. The most important available information on a particular compound is discussed, such as its isolation/occurence, available spectral data, and leading references on structural determination. Additionally, triterpenoids synthesis, biosynthesis, proven pharmacological properties, and any known applications are explained. A comprehensive general introduction has been included which surveys the development of triterpenoid chemistry from the beginning to the present. Extremely helpful is the selected list of references to books and reviews dealing with various aspects of triterpenoid chemistry

}, doi = {10.1201/9781351072762}, author = {Dev, S. and Gupta, A.S.} } @article {45430, title = {CSGID solves structures and identifies phenotypes for five enzymes in toxoplasma gondii}, journal = {Frontiers in Cellular and Infection Microbiology}, volume = {8}, year = {2018}, month = {OCT}, type = {Article}, abstract = {

Toxoplasma gondii, an Apicomplexan parasite, causes significant morbidity and mortality, including severe disease in immunocompromised hosts and devastating congenital disease, with no effective treatment for the bradyzoite stage. To address this, we used the Tropical Disease Research database, crystallography, molecular modeling, and antisense to identify and characterize a range of potential therapeutic targets for toxoplasmosis. Phosphoglycerate mutase II (PGMII), nucleoside diphosphate kinase (NDK), ribulose phosphate 3-epimerase (RPE), ribose-5-phosphate isomerase (RPI), and ornithine aminotransferase (OAT) were structurally characterized. Crystallography revealed insights into the overall structure, protein oligomeric states and molecular details of active sites important for ligand recognition. Literature and molecular modeling suggested potential inhibitors and druggability. The targets were further studied with vivoPMO to interrupt enzyme synthesis, identifying the targets as potentially important to parasitic replication and, therefore, of therapeutic interest. Targeted vivoPMO resulted in statistically significant perturbation of parasite replication without concomitant host cell toxicity, consistent with a previous CRISPR/Cas9 screen showing PGM, RPE, and RPI contribute to parasite fitness. PGM, RPE, and RPI have the greatest promise for affecting replication in tachyzoites. These targets are shared between other medically important parasites and may have wider therapeutic potential.

}, issn = { 2235-2988}, doi = {10.3389/fcimb.2018.00352}, author = {Lykins, Joseph D. and Filippova, Ekaterina V and Halavaty, Andrei S. and Minasov, George and Zhou, Ying and Dubrovska, Ievgeniia and Flores, Kristin J. and Shuvalova, Ludmilla A. and Ruan, Jiapeng and El Bissati, Kamal and Dovgin, Sarah and Roberts, Craig W. and Woods, Stuart and Moulton, Jon D. and Moulton, Hong and Mcphillie, Martin J. and Muench, Stephen P. and Fishwick, Colin W. G. and Sabini, Elisabetta and Shanmugam, Dhanasekaran and Roos, David S. and Mcleod, Rima and Anderson, Wayne F. and Ngo, Huan M.} } @article {44596, title = {Cyclohexylation of resorcinol with cyclohexanol catalyzed by tungstophosphoric acid supported zirconia catalysts}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {18}, year = {2018}, month = {APR}, pages = {2986-2992}, abstract = {

We demonstrate a highly active and reusable heterogeneous catalyst system, tungstophosphoric acid (TPA) supported on zirconia (ZrO2), for the cyclohexylation of resorcinol by cyclohexanol to produce value added chemicals such as 2-cyclohexyl resorcinol, 4-cyclohexyl resorcinol and 3-Hydroxy cyclohexyl phenyl ether under liquid phase reaction condition. TPA/ZrO2 catalysts prepared with different TPA loadings (5-30 wt.\%) by wet impregnation method and calcined in the temperature range of 650-850 degrees C were characterized by Nitrogen sorption analysis, XRD, FTIR, DTG and DTA, and P-31 MAS NMR spectroscopy. Among the catalysts studied, 15 wt.\% TPA/ZrO2 catalyst calcined at 750 degrees C gave the highest conversion of resorcinol (51.2\%) with the selectivities for 3-Hydroxy cyclohexyl phenyl ether (53.9\%) and 2-cyclohexyl resorcinol and 4-cyclohexyl resorcinol together (46.1\%) under optimum reaction conditions. However, the selectivity of the products were controlled by varying the reaction conditions. At higher conversion of resorcinol (78.9\%), only C-alkylated products were formed at 200 degrees C with 15 wt.\% TPA/ZrO2 catalyst calcined at 750 degrees C. The combination of TPA and ZrO2 coupled with calcination temperature offered an excellent platform for the conversion of resorcinol into O- or C-alkylated products.

}, keywords = {15\% TPA/ZrO2, Cyclohexanol, Cyclohexylation, Keggin TPA, Resorcinol}, issn = {1533-4880}, doi = {10.1166/jnn.2018.14342}, author = {Balasubramanian, V. V. and Devassay, B. M. and Halligudi, S. B. and Deepika, R. and Umbarakar, S. B. and Vinu, A.} } @article {45465, title = { Cyclometallation of a germylene ligand by concerted metalation-deprotonation of a methyl group }, journal = {Dalton Transactions }, volume = {47}, year = {2018}, month = { NOV}, pages = { 15835-15844}, type = {Article }, abstract = {The reaction of [CH{(CMe)(2,6-iPr(2)C(6)H(3)N)}(2)]GeCl with LiN(SiMe3)(2) was previously reported, which led to the formation of a hetero-fulvene type germylene, [CH{(CMe)(C?CH2)(2,6-iPr(2)C(6)H(3)N)}(2)]Ge through the deprotonation of the C-H bond from the methyl substituents. In this paper, we attempted the analogous reaction with (Dipp)NCMeCHCOMeGeCl using LiN(SiMe3)(2) which gave rise to a metathesis product, (Dipp)NCMeCHCOMeGeN(SiMe3)(2) (2). However, the reactions of 2 with [M2Cl2(-Cl)(2)((5)-Cp*)(2)] (M = Rh and Ir) resulted in cyclometallated Rh and Ir complexes through the activation of the C-H bond from the germylene ligand. The complexes were characterized by single crystal X-ray analysis, which authenticated the presence of Ge-Rh and Ge-Ir bonds. DFT studies have been performed to understand the mechanism.}, issn = {1477-9226}, doi = { 10.1039/c8dt03166e}, author = {Bakthavachalam, K. and Dutta, Sayan and Arivazhagan, C. and Raghavendra, Beesam and Haridas, Anagha and Sen, Sakya S. and Koley, Debasis and Ghosh, Sundargopal} } @article {44448, title = {Dephytinizing and probiotic potentials of saccharomyces cerevisiae (NCIM 3662) strain for amelioration of nutritional quality of functional foods}, journal = {Probiotics and Antimicrobial Proteins}, volume = {11}, year = {2018}, month = {MAR}, pages = {604-617}, type = {Article}, abstract = {Increase of undigested complexes of phytic acid in food is gaining serious attention to overcome nutritional challenges due to chelation effects. We investigated soil-borne yeast phytase from Saccharomyces cerevisiae (NCIM 3662) for dephytinization of foods, probiotic properties, and process development. The strain produced 45 IU/DCG by cell-bound phytase in an unoptimized medium was increased fourfold (164 IU/DCG) in 12 h using statistical media optimization. The process was scaled-up up to 10-L fermenter scale with increased phytase productivity of 6.4 IU/DCG/h as compared to the lab scale. The strain displayed probiotic characteristics like tolerance to artificial gastric acid conditions, hydrophobicity, autoaggregation, coaggregation, and bile salt hydrolase (BSH) activity. Further, it could dephytinize (removal of phytic acid; an anti-nutritional factor) functional foods like ragi (finger millet) flour, soya flour, chickpea flour, and poultry animal feed. A combination of cell-bound dephytinizing phytase and nutrition-ameliorating probiotic traits of S. cerevisiae (NCIM 3662) presents profound applications in food technology sector.}, doi = {10.1007/s12602-018-9394-y}, author = {Kumar Raja Puppala and Kumar , V. Ravi and Khire, Jayant and Dharne, Mahesh} } @article {44211, title = {Deposition of Au nanoparticles inside porous CeO2 nanocubes using Langmuir-Blodgett technique}, journal = {New Journal of Chemistry}, volume = {42}, year = {2018}, month = {JAN }, pages = {1379-1386}, type = {Article}, abstract = {

Porous 3D CeO2 nanocubes were synthesized using hot injection technique. These nanocubes were able to form a stable monolayer over water and HAuCl4 subphase in Langmuir-Blodgett (LB) trough due to the presence of surface capped oleic acid and oleylamine. CeO2-Au nanocomposites were synthesized exploiting the ability of oleylamine to reduce AuCl4 ions to Au-0, via LB method. CeO2 nanocubes gave rise to excellent long-range assembly at air/water interface and gold nanoparticles were formed inside these porous nanocubes without disturbing this arrangement. The formation of a stable monolayer was evidenced from the surface pressure-area (P-A) isotherm. The development of Au nanoparticles was confirmed with great effort from a comprehensive study using UV-Vis spectroscopy, XRD, XPS, FTIR, TEM, STEM, EDX, tomography and chemical mapping.

}, issn = {1144-0546}, doi = {10.1039/c7nj03948d}, author = {Das, Subhasis and Bhattacharjee, Gourab and Satpati, Biswarup and Kumar, Mukesh and Deka, Sasanka and Ghosalya, Manoj Kumar and Gopinath, Chinnakonda S. and Bala, Tanushree} } @article {44449, title = {Design and development of a test rig to investigate the load deflection characteristics of helical spring lock washers}, journal = {International Journal of Structural Integrity}, volume = {9}, year = {2018}, month = {MAR}, abstract = {Purpose The helical spring lock washer is a part of nut-bolt joint assembly used in different industries like automobile, aerospace, mechanical, chemical, electrical, electronics, etc. It works as a part of temporary joint and plays important role in loosening behavior of assembly under dynamic (vibrations) conditions. Thus, it is necessary to investigate the performance of helical spring lock washer under different controlled operating conditions in order to satisfy its functional requirement. Design/methodology/approach In the present investigation, a novel test rig is designed and developed to determine the load deflection characteristics of helical spring lock washers. The test rig facilitates the controlled linear displacement of the Helical Spring Lock (HSL) washer with predetermined angular rotation of the handle gives the corresponding reaction load on the display. Additionally, the repeatability and reproducibility of the test rig was carried out. Findings The newly designed and developed test rig is enough capable to differentiate the load deflection characteristics during compressive loading and unloading of helical spring lock washers. Additionally, the loss of strain energy can be determined from the load deflection characteristics of helical spring lock washer. Originality/value The present test rig is designed and developed to investigate the load deflection characteristics under compressive loading and unloading of Helical spring lock washer. The test rig has least count of 0.4905N for load measurement and 0.01389 mm for linear displacement.}, doi = {10.1108/IJSI-11-2017-0062}, author = {Wagh, Hemant and Desale, Girish R.} } @article {44195, title = {Design, synthesis, and pharmacological evaluation of fluorinated azoles as anti-tubercular agents}, journal = {Archiv Der Pharmazie}, volume = {351}, year = {2018}, month = {FEB}, pages = {e1700294}, type = {Article}, abstract = {

Design, synthesis, and biological screening of 2,2-dimethyl-2,3-dihydrobenzofuran tethered 1,3,4-oxadiazole derivatives as anti-tubercular agents were described. The synthesis of the target compounds was conducted by a series of reaction schemes. All the synthesized compounds were characterized by IR, H-1 NMR, C-13 NMR, and mass spectrometry. The therapeutic potential of the synthesized compounds was confirmed by molecular docking studies. Among the synthesized compounds, 12a, 12c, 12d, 12e, 12g, and 12j were found to be more active against non-replicating than against replicating cultures of Mycobacterium tuberculosis H37Ra ex vivo and in vitro. These compounds exhibit minimum inhibitory concentration (MIC) values in the range of 2.31-23.91g/mL. The cytotoxicity study was conducted against the cell lines THP-1, A549 and PANC-1, and the compounds were observed to be non-toxic to host cells. Molecular docking was conducted with InhA (FabI/ENR) and suggested the antimycobacterial potential of the synthesized compounds. The investigation presented here was found to be adventitious for the development of new therapeutic agents against Mycobacterium infection.

}, keywords = {1, 2, 2-dimethyl-2, 3, 3-dihydrobenzofuran, 4-Oxadiazole, anti-tubercular agents, Cytotoxicity, Molecular docking}, issn = {0365-6233}, doi = {10.1002/ardp.201700294}, author = {Gholap, Somnath and Tambe, Macchindra and Nawale, Laxman and Sarkar, Dhiman and Sangshetti, Jaiprakash and Damale, Manoj} } @article {44244, title = {Detection of ciprofloxacin residues in cow milk: a novel and rapid optical beta-galactosidase-based screening assay}, journal = {Microchemical Journal}, volume = {136}, year = {2018}, month = {JAN}, pages = {128-132}, type = {Article}, abstract = {

Ciprofloxacin (a member of the fluoroquinolone class) is one of the most widely used antibacterial agents for the treatment of bacterial infections in livestock. The improper use of such antibacterial agents could lead to the presence of residues in animal origin foods (including milk) and consequently harmful effects for health of consumers, together with the spread of antibiotic-resistant bacterial strains. Therefore, in order to support good farming practices and to ensure food safety, antimicrobial (in particular fluoroquinolones) residues surveillance through improved monitoring techniques is crucial. However, commercial available kits for the detection of fluoroquinolones residues in food samples are time-consuming and still fail to detect MRL concentrations for fluoroquinolones (e.g. 0.1 mg/kg for the sum of enrofloxacin and ciprofloxacin residues). Here a novel and rapid assay for ciprofloxacin residual detection through optical microbiological screening in commercially pasteurized cow{\textquoteright}s milk samples is described. Escherichia coli ATCC 11303 cell proliferation was optically monitored by measuring endogenous (beta-gal activity that was determindd through colorimetric assay in the presence of a chromogenic beta-gal artificial substrate. Optical density of E. coli cell culture (linked to cell proliferation) was positively correlated with endogenous beta-gal activity. As the presence of ciprofloxacin residues inhibits the E. coli cell proliferation in tested samples, (3-gal levels decreased more in exposed samples than in control. The essential step of beta-gal induction (usually obtained by IPTG) was obtained by exploiting the lactose present in the milk. Our findings show a detection of ciprofloxacin residues at 1 MRL concentration after 1 h using ONPG as chromogenic 3 gal artificial substrate and lactose as (3-gal inducer. Compared to previously described methods, this assay proved to be a rapid, proficient and more eco-friendly (i.e. minimizing the use of additional reagents) system that could be potentially employed as screening method for detection ciprofloxacin residues in cow{\textquoteright}s milk. (C) 2016 Elsevier B.V. All rights reserved.

}, keywords = {Antibiotic resistance, Farm animals, Fluoroquinolones, HACCP, One health, Primary production, Risk assessment and management}, issn = {0026-265X}, doi = {10.1016/j.microc.2016.12.014}, author = {Kalunke, Raviraj M. and Grasso, Gerardo and D{\textquoteright}Ovidio, Renato and Dragone, Roberto and Frazzoli, Chiara} } @article {45398, title = {Determination of the effect of polyamines on an oil-degrading strain of Yarrowia lipolytica using an odc minus mutant}, journal = {Fems Yeast Research }, volume = {18}, year = {2018}, month = {DEC}, pages = {10.1093/femsyr/foy073}, type = {Article }, abstract = {Yarrowia lipolytica is an ascomycetous dimorphic yeast with immense potential for industrial applications, including bioremediation of crude oil-contaminated environments. It has been shown that a dimorphic marine isolate of Y. lipolytica (var. indica) has significant capacity to degrade fatty acids and alkanes, when in its yeast morphology. It has also been demonstrated that polyamines play an important role in the yeast-to-mycelium transition of different strains of Y. lipolytica that are unable to utilize those carbon sources. To determine the role of polyamines on their capacity to utilize oils and hydrocarbons, on the dimorphic transition, and also on other characteristics of the var. indica strain of Y. lipolytica, we proceeded to obtain ornithine decarboxylase minus (odc(-)) mutants. These mutants behaved as yeasts independently of the concentrations of putrescine added. Further, they conserved the oil-degrading capacity of the parent strain. The odc(-) mutant can thus be used in fatty acid degradation, and oil spill remediation with distinct advantages.}, issn = { 1567-1356}, doi = { 10.1093/femsyr/foy073}, author = {Campos-Gongora, E. and Palande, A. S. and Leon-Ramirez, C. and Pathan, E. K. and Ruiz-Herrera, J. and Deshpande, M. V.} } @article {44453, title = {Dihedral angle control to improve the charge transport properties of conjugated polymers in organic field effect transistors}, journal = {Chemical Physics Letters}, volume = {695}, year = {2018}, month = {MAR}, pages = {51-58}, abstract = {Diketopyrrolopyrrole (DPP) and i-Indigo (i-Ind) are two monomers that are widely explored as active materials in organic field effect transistor and solar cells. These two molecules showed impressive charge carrier mobility due to better packing that are facilitated by quadrupoles. We hypothesized that the copolymers of these monomers would also exhibit high charge carrier mobility. However, we envisioned that the dihedral angle at the connecting point between the monomers will play a crucial role in packing as well as charge transport. To understand the impact of dihedral angle on charge transport, we synthesized three copolymers, wherein the DPP was sandwiched between benzenes, thiophenes and furans. The copolymer of i-Indigo and furan comprising DPP showed a band gap of 1.4 eV with a very high dihedral angle of 179 degrees. The polymer was found to pack better and the coherence length was found to be 112 angstrom. The hole carrier mobility of these polymer was found to be highest among the synthesized polymer i. e. 0.01 cm(2)/vs. The copolymer comprising benzene did not transport hole and electrons. The dihedral angle at the connecting point between i and Indigo and benzene DPP was 143 angstrom, which the packing and consequently charge transport properties. (C) 2018 Elsevier B. V. All rights reserved.}, doi = {10.1016/j.cplett.2018.01.052}, author = {Dharmapurikar, Satej S. and Chithiravel, Sundaresan and Mane, Manoj V. and Deshmukh, Gunvant and Krishnamoorthy, Kothandam} } @article {45368, title = {Direct synthesis of diethyl carbonate from ethanol and carbon dioxide over ceria catalysts}, journal = {New Journal Of Chemistry}, volume = {42}, year = {2018}, month = {NOV}, pages = {17546-17552}, type = {Article}, abstract = {

Direct synthesis of diethyl carbonate (DEC) by carboxylation of ethanol with CO2 was investigated over ceria catalysts. 2-Cyanopyridine (2-CP) was used for trapping water formed in the reaction and to shift the equilibrium towards the product side. An optimal dependence (volcanic plot) of the catalytic activity on the acidity/basicity molar ratio was observed. Neat ceria (procured from Daiichi Kigenso Kagaku Kogyo Co. Ltd, Japan) showed higher catalytic activity than metal incorporated ceria catalysts. CeO2 had the right kind of acidity/basicity ratio to activate ethanol and CO2 simultaneously, yielding DEC. The catalyst was reusable. The yield of DEC obtained in this study using the commercial catalyst was higher than that reported by others using ceria catalysts prepared by other methods. Under optimum conditions (ethanol:2-CP molar ratio = 2:1, catalyst = 2.17 wt\% with respect to ethanol, CO2 pressure = 40 bar, reaction temperature = 150 degrees C and reaction time = 3 h) in a batch reaction, a DEC yield as high as 45 mol\% (i.e., 38.7 mmol mmol(-1) of CeO2) was obtained.

}, issn = { 1144-0546}, doi = {10.1039/c8nj04090g}, author = {Giram, Ganesh G. and Bokade, Vijay V. and Darbha, Srinivas} } @article {44386, title = {Disintegrable NIR light triggered gold nanorods supported liposomal nanohybrids for cancer theranostics}, journal = {Bioconjugate Chemistry}, volume = {29}, year = {2018}, month = {MAY}, pages = {1510-1518}, abstract = {In this work, facile synthesis and application of targeted, dual therapeutic gold nanorods-liposome (GNR-Lipos) nanohybrid for imaging guided photothermal therapy and chemotherapy is investigated. The dual therapeutic GNR-Lipos nanohybrid consists of GNR supported, and doxorubicin (DOX) loaded liposome. GNRs not only serve as a photothermal agent and increase the drug release in intracellular environment of cancer cells, but also provide mechanical strength to liposomes by being decorated both inside and outside of bilayer surfaces. The designed nanohybrid shows a remarkable response for synergistic chemophotothermal therapy compared to only chemotherapy or photothermal therapy. The NIR response, efficient uptake by the cells, disintegration of GNR-Lipos nanohybrid, and synergistic therapeutic effect of photothermal and chemotherapy over breast cancer cells MDA-MB-231 are studied for the better development of a biocompatible nanomaterial based multifunctional cancer theranostic agent.}, doi = {10.1021/acs.bioconjchem.7b00801}, author = {Chauhan, Deepak S. and Prasad, Rajendra and Devrukhkar, Janhavi and Selvaraj, Kaliaperumal and Srivastava, Rohit} } @article {44457, title = {Draft genome sequence of Marinomonas fungiae strain AN44T (JCM 18476T), isolated from the coral Fungia echinata from the Andaman Sea}, journal = {Genome Announcements}, volume = {6}, year = {2018}, month = {MAR}, abstract = {Marinomonas fungiae strain AN44Twas isolated from mucus of the coralFungia echinataOptimum growth occurs at 3 to 5\% NaCl. The draft genome is 4.2 Mb, with 3,776 protein-coding genes. It harbors genes for the degradation of aromatic compounds, such as quinate, ferulate,p-coumarate, protocatechuate, andp-hydroxyphenylacetate.}, doi = {10.1128/genomeA.00112-18}, author = {Kumari, Prabla and Badhai, Jhasketan and Das, Subrata K.} } @article {44647, title = {Dynamics of loops at the substrate entry channel determine the specificity of iridoid synthases}, journal = {Febs Letters}, volume = {592}, year = {2018}, month = {AUG}, pages = {2624-2635}, abstract = {

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

}, keywords = {iridoid synthase, iridoids, Molecular dynamics simulations, progesterone 5 beta-reductase, Substrate specificity}, issn = {1873-3468}, doi = {10.1002/1873-3468.13174}, author = {Sandholu, Anand S. and Mohole, Madhura and Duax, William L. and Thulasiram, Hirekodathakallu V. and Sengupta, Durba and Kulkarni, Kiran} } @article {44458, title = {Easily accessible lithium compound catalyzed mild and facile hydroboration and cyanosilylation of aldehydes and ketones}, journal = {Chemical Communications}, volume = {54}, year = {2018}, month = {APR}, abstract = {Simple and readily accessible lithium compounds such as 2,6-ditertbutyl phenolate lithium (1a), 1,1{\textquoteright} dilithioferrocene (1b) and nacnac lithium (1c) are found to be efficient single site catalysts for hydroboration of...}, doi = {10.1039/C8CC02314J}, author = {Bisai, Milan and Das, Tamal and Vanka, Kumar and Sen, Sakya S.} } @article {44393, title = {Effect of structural properties of organosolv lignins isolated from different rice husks on their liquefaction using acidic ionic liquids}, journal = {Clean Technologies and Environmental Policy}, volume = {20}, year = {2018}, month = {MAY}, pages = {739-750}, abstract = {Lignin is the only naturally available sustainable resource of aromatic compound on the Earth. Depending on the properties of lignin and the reaction conditions employed for the liquefaction, it is observed that the product distribution alters. Since ionic liquids (ILs) are considered as green and have tuneable properties, in the current work, imidazolium-based acidic ILs were employed to liquefy organosolv lignins derived from different varieties of rice husks. When liquefaction was carried out at 120 A degrees C for 1 h 36\% yield for EtOAc- and DEE-soluble products with high mass balance (97 +/- 3\%) was observed. The detailed characterisations of lignins and organic solvent-soluble products were done by variety of techniques [GC-MS, FT-IR, UV-Vis, 2D (HSQC) NMR], and based on this, the correlation between activity and properties of catalyst and lignin was established. Depolymerisation of organosolv lignin (derived from three rice husks) into aromatic product was done, and experimental correlation studies were performed in both. }, doi = {10.1007/s10098-017-1435-9}, author = {Singh, Sandip K. and Dhepe, Paresh L.} } @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 {44394, title = {Effects of constant kinetic energy of different impacting particles on slurry erosion wear of AA 6063}, journal = {Journal of Tribology-Transactions of the ASME}, volume = {140}, year = {2018}, month = {MAY}, pages = {Article Number: 031605}, type = {Article}, abstract = {The present experimental study investigates the effect of constant kinetic energy on erosion wear of aluminum alloy 6063. Three different natural erodents (quartz, silicon carbide, and alumina) with different particle sizes are used to impact at 45 deg and 90 deg impact angles. For calculating the number of particles in the slurry pot, it is assumed that the solid particles are of spherical shape. The total numbers of impacting solid particles were kept constant by adjusting the solid concentration, velocity, and test duration. The scanning electron microscope (SEM) images of the three erodents show that the alumina particles have sharp edges with more angularity, and silicon carbide particles have subangular nature while quartz particles are blocky in shape. The mass loss per particle at 45 deg impact angle is observed higher than at normal impact angle. It may be due to the change in material removal mechanism with changing the impact angle. It is also found that the mass loss per particle from the target material having different particle size with constant kinetic energy remains constant for respective erodents. This indicates that the velocity exponent of impacting particles is around 2. The SEM images of eroded surfaces reveal the different mechanisms of material removal at 45 deg impact angle and at normal impact angle.}, issn = {07424787}, doi = {10.1115/1.4038355}, author = {Nandre, Bhushan D. and Desale, Girish R.} } @article {45406, title = { Efficient method for cyclopentanone synthesis from furfural: understanding the role of solvents and solubility in a bimetallic catalytic system}, journal = {Catalysis Science \& Technology}, volume = {8}, year = {2018}, month = {OCT}, pages = {5259-5269}, type = {Article}, abstract = {The platform chemical, furfural (FAL), is obtained from C5 stream of biomass, and effective conversion into various chemicals including cyclopentanone (CPO) would find many industrial applications. It is desirable to convert FAL to CPO under low H-2 pressure with high selectivity. In the current work, bimetallic catalysts with Pt as the base metal supported on carbon are evaluated in the synthesis of CPO using a biphasic solvent system. By tuning the solvent ratio, with toluene/water (3:4 v/v), 75\% yield of CPO is achieved under 1 MPa H-2 at 180 degrees C. The difference in solubility of the substrate, intermediates and products, along with the optimum ratio of Pt and Co metals plays a crucial role in achieving better yields.}, issn = { 2044-4753}, doi = {10.1039/c8cy01468j}, author = {Dohade, Manisha and Dhepe, Paresh L.} } @article {44181, title = {Electrochemical capacitive energy storage in PolyHIPE derived nitrogen enriched hierarchical porous carbon nanosheets}, journal = {Carbon}, volume = {128}, year = {2018}, month = {MAR}, pages = {287-295}, type = {Article}, abstract = {

Porous and interconnected electrodes based on carbon nanoarchitectures offer comprehensive advantages of large specific surface area and high porosity consequently increasing the specific capacitance of ultracapacitor energy storage systems. Emulsion-templated polymers, PolyHIPEs (Polymerized High Internal Phase Emulsions) are highly porous polymers with a structure of cages interconnected by windows thus provide suitable framework to create such porous carbon nanostructures. Herein, nitrogen enriched porous carbon nanosheets are synthesized by pyrolysis of polymer-silica hybrid PolyHIPE and subsequent silica removal. This nitrogen enriched porous carbon nanosheets when tested as an electrode for ultracapacitor, showed specific capacitance as high as 209 F/g at a current density of 1 A/g in 1 M H2SO4 with excellent capacity retention over long cycling. (c) 2017 Elsevier Ltd. All rights reserved.

}, keywords = {Energy storage, Nitrogen enriched porous carbon nanosheets, PolyHIPE template, Ultracapacitor}, issn = {0008-6223}, doi = {10.1016/j.carbon.2017.11.080}, author = {Deshmukh, Ashvini B. and Nalawade, Archana C. and Karbhal, Indrapal and Qureshi, Mohammed Shadbar and Shelke, Manjusha V.} } @article {44465, title = {Electron transfer rate analysis of a site-specifically wired copper oxidase}, journal = {Physical Chemistry Chemical Physics}, volume = {20}, year = {2018}, month = {MAR}, pages = {6159-6166}, abstract = {Electron transfer kinetic parameters of site-specifically wired copper oxidase were investigated. The enzyme{\textquoteright}s orientation towards the electrode was controlled by incorporation of propargyl-L-lysine as a site-specific anchoring point. Herein, we demonstrate the importance of immobilization orientation and how it affects electron transfer efficiency and kinetics to each of the enzyme{\textquoteright}s two active sites.}, doi = {10.1039/c8cp00041g}, author = {Schlesinger, Orr and Pasi, Mor and Dandela, Rambabu and Meijler, Michael M. and Alfonta, Lital} } @article {45439, title = { Enhanced microwave absorption property of reduced graphene oxide (RGO)-strontium hexaferrite (SF)/poly (vinylidene) fluoride (PVDF)}, journal = {Dimond and Related Materials}, volume = {89}, year = {2018}, month = {OCT}, pages = {28-34}, type = {Article}, abstract = {Enormous growth in the use of electronic gadgets presents a challenge to develop efficient electromagnetic interference (EMI) shielding materials specifically using composites with properties such as light weight and high shielding due to absorption. In the present work we have synthesized a composite material with three components; Reduced Graphene Oxide (RGO) and Strontium Hexaferrite (SrFe12O19) (SF) bound together by polymer Poly (Vinylidene) Fluoride (PVDF). Composite RGO/SF (RGOSF) was prepared by facile one port chemical reduction method. Surface anchoring of similar to 500 nm of magnetic particles over the graphene sheet was confirmed by Field Emission Scanning Electron Microscopy (FESEM) and Transmission Electron Microscopy (TEM). Crystal structure of SF particles was analyzed before and after composite formation with RGO. Effective crystallite size was estimated from both XRD and Raman Spectroscopy which showed similar trend moving from SF to RGOSF to RGOSFPVDF. Polymer composite films of RGOSFPVDF were prepared by hot pressing. Both real and imaginary part of magnetic and dielectric parameters were studied. It was observed that enhancement of interfacial polarization and anisotropic heat loss in PVDF matrix was generated by RGOSF which ultimately created more scattering center and helped in absorption of electromagnetic radiation. Critical film thickness of 3 mm was capable to shield up to 33 dB EM energy of which > 99.9\% was due to absorption.}, issn = { 0925-9635}, doi = {10.1016/j.diamond.2018.07.024}, author = {Acharya, Sanghamitra and Gopinath, Chinnakonda S. and Alegaonkar, Prashant and Datar, Suwarna} } @article {45419, title = { Enhanced selectivity of 3-D ordered macroporous Pt/Al2O3 catalysts in nitrites removal from water}, journal = {Applied Catalysis A-General}, volume = {564}, year = {2018}, month = {AUG}, pages = {26-32}, type = {Article}, abstract = {Tailored macroporous mesoporous alumina supports have been successfully prepared using a single hard templating approach. Pt nanoparticles, showing similar physico-chemical properties, were homogeneously dispersed throughout the different alumina frameworks as catalytic active phase for drinking water treatment. We demonstrated that careful modification of pore properties of the catalyst (size and connectivity) by pseudomorphic transformation can strongly modulate the reaction rate and selectivity through the limited access to Pt active sites within the alumina porous particles. Specifically, 3-D Ordered Macroporous Pt-Al2O3 catalysts with a high degree of interconnectivity yield to superior catalytic properties (enhanced activity and selectivity) over pure mesoporous counterparts in the hydrogenation of nitrites in water. We found that large pores (240 nm) interconnected with windows (110 nm) alleviate mass transfer limitations and clearly improve NZ selectivity. The findings of this study further suggest the possibility of engineering the pore architecture of the support to fine tune the selectivity for a particular reaction rather than investigating more on tuning the properties of the costly active metallic phase.}, doi = {10.1016/j.apcata.2018.07.014}, author = {Sekhar, A. C. Sunil and Zaki, A. and Troncea, S. and Casale, S. and Vinod, C. P. and Dacquin, J. P. and Granger, P.} } @article {45542, title = {Enhancement of field electron emission in topological insulator Bi2Se3 by Ni doping}, journal = {Physical Chemistry Chemical Physics}, volume = {20}, year = {2018}, month = {JUN}, pages = {18429-18435}, type = {Article}, abstract = {Nanostructures of bismuth selenide (Bi2Se3), a 3D topological insulator material, and nickel (Ni) doped Bi2Se3 samples were prepared by a hydrothermal method to explore the field emission properties. An enrichment in the field electron emission (FE) properties in terms of the threshold and turn-on field values of Bi2Se3 and Ni doped Bi2Se3 nanostructures was measured at a base pressure of \~{}1 {\texttimes} 10-8 mbar. Using the background of the Fowler{\textendash}Nordheim (FN) theory a field enhancement factor (β) of 5.7 {\texttimes} 103 and a threshold field value of 2.5 V μm-1 for 7.5\% Ni doped Bi2Se3 were determined by investigating the J{\textendash}E plot of the FE data. The value of β is three times higher than that of pure Bi2Se3 confirming the superior FE properties. The emission current was found to be very stable with the property of long standing durability as a negligible amount of variation was observed when measured at a constant value of 5 mA for 3 hours. The experimental results signify many opportunities for potential applications of Ni doped Bi2Se3 as a source of electrons in scanning as well as transmission electron microscopy, flat panel displays and as an X-ray generator, etc.}, doi = {10.1039/c8cp01982g}, author = {Mazumder, K. and Sharma, A. and Kumar, Y. and Bankar, P. and More, M. A. and Devan, R. and Shirage, P. M.} } @article {44469, title = {Enzymatic formation of a skipped methyl-substituted octaprenyl side chain of longestin (KS-505a): involvement of homo-IPP as a common extender unit}, journal = {Angewandte Chemie}, volume = {57}, year = {2018}, month = {MAY}, pages = {6629-6632}, type = {Article}, abstract = {

Longestin (KS-505a), a specific inhibitor of phosphodiesterase, is a meroterpenoid that consists of a unique octacyclic terpene skeleton with branched methyl groups at unusual positions (C1 and C12). The biochemical analysis of Lon23, a methyltransferase involved in the biosynthesis of longestin, demonstrated that methylation of IPP afforded 3Z-3-methyl IPP. This compound as well as IPP was selectively accepted as extender units by Lon22, a geranylgeranyl diphosphate (GGPP) synthase homolog, to yield dimethylated GGPP (dmGGPP). Absolute configuration of dmGGPP was determined to be (4R, 12R) by degradation and chiral GC analysis. These findings led us to propose key steps of the biosynthetic pathway of the unusual homoterpenoid longestin.

}, doi = {10.1002/ange.201802116}, author = {Taro Ozaki and Shinde, Sandip S. and Gao, Lei and Okuizumi, Ryo and Liu, Chengwei and Ogasawara, Yasushi and Lei, Xiaoguang and Dairi, Tohru and Minami, Atsushi and Oikawa, Hideaki} } @article {43992, title = {Erratum to: catalyst-free oxidation of sulfides to sulfoxides and diethylamine catalyzed oxidation of sulfides to sulfones using oxone as an oxidant}, journal = {Research on Chemical Intermediates}, volume = {44}, year = {2018}, month = {FEB}, pages = {1437{\textendash}1437}, type = {Journal Article}, abstract = {

We describe here our journey from the failure of our attempts in controlled oxidation of sulfides to sulfoxides using an Oxone{\textregistered}{\textendash}KBr combination to our success in the development of a catalyst-free protocol for the oxidation of sulfides to sulfoxides using Oxone as an oxidant. We also describe the failure of our attempts at the oxidation of sulfides to sulfones using an excess of Oxone{\textendash}KBr as well as Oxone, and our success towards the development of a rapid, scalable and chromatography-free protocol for the oxidation of sulfides to sulfones using diethylamine{\textendash}Oxone as an unprecedented catalyst{\textendash}oxidant combination.

}, keywords = {diethylamine, organocatalysis, Oxidation, Oxone, Sulfones, Sulfoxides}, doi = {10.1007/s11164-017-3137-7}, author = {Kupwade, R. V.}, editor = {Khot, S. S.} } @article {44471, title = {Evaluation of Candida tropicalis (NCIM 3321) extracellular phytase having plant growth promoting potential and process development}, journal = {Biocatalysis and Agricultural Biotechnology}, volume = {13}, year = {2018}, month = {JAN}, abstract = {

Phytase is known to provide a solution for depletion of phosphorus (P). It helps it by hydrolyzing the insoluble P source in soil which is phytate. In this study, provides insight on yeast Candida tropicalis (NCIM 3321) which produces cell bound and extracellular thermostable phytase. The media components were optimized to enhance the enzyme production and checked for plant growth promoting activity. On optimization the isolate exhibited enhanced cell bound and extracellular phytase activity by four folds (from 236 to 1024 IU DCG$^{-}${\textonesuperior}) and by five folds (from 0.46 to 1.95 IU ml$^{-}${\textonesuperior}) respectively in 36 h. The production time decreased to 24 h compare to shake flask on Up-scaling the production process upto 10 L scale, thus increasing the productivity of cell bound (1810 IU DCG$^{-}${\textonesuperior}day$^{-}${\textonesuperior}) and extracellular phytase (6.08 IU ml$^{-}${\textonesuperior} day$^{-}${\textonesuperior}). The crude phytase (12 IU) from NCIM 3321 strain was studied for plant growth promotion activity in lab scale and field level experiments with maize crop. Findings of the study revealed that the extracellular phytase derived from non pathogenic C. tropicalis (NCIM 3321) was found to be plant growth stimulating by increasing the available P in soil. Our findings of phytase isolated from non-pathogenic yeast C. tropicalis NCIM 3321 exhibited dephytinization potential. Therefore, current study may have profound application in sustainable agriculture.

}, doi = {10.1016/j.bcab.2017.12.013}, author = {Puppala, Kumar Raja and Naik, Tejali and Shaik, Alfina and Dastager, Syed and Kumar, V. Ravi and Khire, Jayant and Dharne, Mahesh} } @article {44344, title = { Experimental evidences for existence of varying moieties and functional groups in assorted crop waste derived organosolv lignins}, journal = {Industrial Crops and Products}, volume = {119}, year = {2018}, month = {SEP}, pages = {144-151}, type = {Article}, abstract = {Isolation of organosolv lignins (ORGLs, water:ethanol, 180 degrees C, 1 h, 93 +/- 5\% mass balance) from various lignocellulosic materials like rice husk (RH), wheat straw (WS), bagasse (BG) \& wood chips (WC) was done and experimental evidences are provided to perceive the differences in the structures of isolated lignins. To achieve this on bulk level, lignins were characterized by XRD, GPC, TGA \& elemental analysis and on molecular level using UV-vis, ATR, 1D/2D HSQC NMR techniques. Besides isolated lignins, crop wastes and pulps were also characterized to divulge details on their properties. It was revealed that lignins have varying concentrations of sinapyl (S), coniferyl (G) and p-coumaryl alcohols (H) and tricin (T) moieties. While, Tricin (T) type lignin moieties are observed only in RH and WS derived lignins, RH derived lignin has higher concentration of side chains than other isolated lignins. Additionally, it is discovered that most lignins have G as main moiety.}, doi = {10.1016/j.indcrop.2018.04.002}, author = {Singh, Sandip K. and Dhepe, Paresh L.} } @article {44645, title = {Exploring the biological roles of Dothideomycetes ABC proteins: leads from their phylogenetic relationships with functionally-characterized Ascomycetes homologs}, journal = {PLoS One}, volume = {13}, year = {2018}, month = {AUG }, abstract = {

Background The ATP-binding cassette (ABC) superfamily is one of the largest, ubiquitous and diverse protein families in nature. Categorized into nine subfamilies, its members are important to most organisms including fungi, where they play varied roles in fundamental cellular processes, plant pathogenesis or fungicide tolerance. However, these proteins are not yet well-understood in the class Dothideomycetes, which includes several phytopathogens that infect a wide range of food crops including wheat, barley and maize and cause major economic losses. Results We analyzed the genomes of 14 Dothideomycetes fungi (Test set) and seven well-known Ascomycetes fungi (Model set-that possessed gene expression/functional analysis data about the ABC genes) and predicted 578 and 338 ABC proteins from each set respectively. These proteins were classified into subfamilies A to I, which revealed the distribution of the subfamily members across the Dothideomycetes and Ascomycetes genomes. Phylogenetic analysis of Dothideomycetes ABC proteins indicated evolutionary relationships among the subfamilies within this class. Further, phylogenetic relationships among the ABC proteins from the Model and the Test fungi within each subfamily were analyzed, which aided in classifying these proteins into subgroups. We compiled and curated functional and gene expression information from the previous literature for 118 ABC genes and mapped them on the phylogenetic trees, which suggested possible roles in pathogenesis and/or fungicide tolerance for the newly identified Dothideomycetes ABC proteins. Conclusions The present analysis is one of the firsts to extensively analyze ABC proteins from Dothideomycetes fungi. Their phylogenetic analysis and annotating the clades with functional information indicated a subset of Dothideomycetes ABC genes that could be considered for experimental validation for their roles in plant pathogenesis and/or fungicide tolerance.

}, issn = {1932-6203}, doi = {10.1371/journal.pone.0197447}, author = {Dube, Gaurav and Kadoo, Narendra and Prashant, Ramya} } @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 {45403, title = { Facilitated lithium storage in hierarchical microsphere of Cu2S-MoS2 ultrathin nanosheets}, journal = {ChemistrySelect}, volume = {3}, year = {2018}, month = {OCT}, pages = {11020-11026}, type = {Article}, abstract = {Considering the high energy density Lithium ion batteries have become one of the best option for next-generation energystorage technologies. Transition metal chalcogenide nanomaterials are promising electrodes for Lithium-ion batteries. Molybdenum based layered chalcogenide materials wisely studied for rechargeable Li-ion batteries, due to its two-dimensional (2D) layered structure and better specific capacity. The three-dimensional (3D) synthesis of microsphere by ultrathin nanosheets is necessary for practical applications. Herein, the fabrication of a unique hierarchical 2D layered Cu2S-MoS2 nanostructure was (ultrathin nanosheets) demonstrated via in situ assembling of two-dimensional (2D) growths in facile solvothermal technique. The structural study reveals the existence of Cubic Cu2S and Rhombohedral MoS2 phase. Morphological study by FESEM and TEM shows unique ultrathin nanosheets of similar to 10 nm thickness self-assembled in the form of layered microsphere. In Li- ion storage testing, Cu2S-MoS2 electrode exhibited good specific discharge capacity of 651 mAhg(-1) at 50 mAg(-1) applied current and maintained 320 mAhg(-1) after 100 cycles. The facilitated advanced electrochemical performance attributed to layered ultrathin Cu2S-MoS2 composite nanosheets.}, issn = { 2365-6549}, doi = {10.1002/slct.201802470}, author = {Kadam, Sunil R. and Kalubarme, Ramchandra S. and Deshmukh, Shrutika P. and Panmand, Rajendra P. and Kawade, Ujjwala, V. and Kulkarni, Milind, V. and Deo, Shriniwas S. and Gosavi, Suresh W. and Kale, Bharat B.} } @article {44608, title = {Fluorescent chemodosimeter for quantification of Cystathionine-y-synthase activity in plant extracts and imaging of endogenous biothiols}, journal = {Chemical Communications}, volume = {54}, year = {2018}, month = {AUG}, pages = {9079-9082}, type = {Article}, abstract = {

A new reagent for quantification of CgS in plant extracts using a generalized methodology suitable for recognition of homocysteine (Hcy) with luminescence ON response.

}, doi = {10.1039/C8CC04296A}, author = {Agarwalla, Hridesh and Hoskere, Anila A. and Ali, Firoj and Pradhan, Swaraj Rashmi and Ganguly, Bishwajit and Pramanik, Sumit kumar and Das, Amitava} } @article {45401, title = {From a helix to a small cycle: metadynamics-inspired alpha v beta 6 integrin selective ligands}, journal = {Angewandte Chemie-International Edition}, volume = {57}, year = {2018}, month = {OCT}, pages = {14645-14649}, type = {Article}, abstract = {The RGD-recognizing alpha v beta 6 integrin has only recently emerged as a major target for cancer diagnosis and therapy. Thus, the development of selective, low-molecular-weight ligands of this receptor is still in great demand. Here, a metadynamics-driven design strategy allowed us to successfully convert a helical nonapeptide into a cyclic pentapeptide (6) showing remarkable potency and alpha v beta 6 specificity. NMR and docking studies elucidated the reasons for the high affinity and selectivity of this compound, setting the ground for the rational design of new alpha v beta 6-specific small peptides or even peptidomimetics. In vivo PET imaging studies demonstrated the potential use of 6 for medical applications.}, issn = { 1433-7851}, doi = {10.1002/anie.201803250}, author = {Di Leva, Francesco Saverio and Tomassi, Stefano and Di Maro, Salvatore and Reichart, Florian and Notni, Johannes and Dangi, Abha and Marelli, Udaya Kiran and Brancaccio, Diego and Merlino, Francesco and Wester, Hans-Juergen and Novellino, Ettore and Kessler, Horst and Marinelli, Luciana} } @article {45447, title = { Glucose isomerization catalyzed by bone char and the selective production of 5-hydroxymethylfurfural in aqueous media}, journal = {Sustainable Energy \& Fuels}, volume = {2}, year = {2018}, month = {OCT}, pages = { 2148-2153}, type = {Article}, abstract = {The selective production of 5-hydroxymethylfurfural (HMF) is important, and it is difficult with glucose substrates in a water solvent. Here we demonstrate a selective method for glucose-to-HMF conversion using the combined catalysis of bone char and 1-methyl-3-(3-sulfopropyl)-imidazolium hydrogen sulfate acidic ionic liquid catalysts with a high HMF selectivity (54\%) in water.}, issn = {2398-4902}, doi = {10.1039/c8se00339d}, author = {Matsagar, Babasaheb M. and Van Nguyen, Chi and Hossain, Md. Shahriar A. and Islam, Md. Tofazzal and Yamauchi, Yusuke and Dhepe, Paresh L. and Wu, Kevin C. -W.} } @article {44634, title = {High surface area nanoporous carbon derived from high quality jute from Bangladesh}, journal = {Materials Chemistry and Physics}, volume = {216}, year = {2018}, month = {SEP}, pages = {491-495}, type = {Article}, abstract = {

We report an economically viable and environment-friendly strategy for the preparation of nanoporous carbon (NC) from jute which is one of the most abundant natural fibers produced in Bangladesh and some South Asian countries. Nitrogen adsorption-desorption isotherms, X-ray diffraction, Raman spectroscopy, UV spectroscopy, and scanning/transmission electron microscopy were performed to characterize the obtained NC. Three different types of jute-derived NCs have been synthesized at three different temperatures, 700 degrees C, 800 degrees C and 900 degrees C. The NC prepared at 800 degrees C resulted in a high surface area (981 m(2) g(-2)) and was associated with the retention of the original fibrous shapes. This study shows a promising future for jute as a natural precursor for NCs for a myriad of applications ranging from water purification to gas separation to energy conversion and storage.

}, keywords = {Adsorbents, Graphitization, Jute, Nanoporous carbons, porous materials}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2018.05.082}, author = {Khan, Junayet Hossain and Lin, Jianjian and Young, Christine and Matsagar, Babasaheb M. and Wu, Kevin C. W. and Dhepe, Paresh L. and Islam, Md Tofazzal and Rahman, Md Mahbubur and Shrestha, Lok Kumar and Alshehri, Saad M. and Ahamad, Tansir and Salunkhe, Rahul R. and Kumar, Nanjundan Ashok and Martin, Darren J. and Yamauchi, Yusuke and Hossain, Md Shahriar A.} } @article {45558, title = {High yield production of cellulose by a komagataeibacter rhaeticus PG2 strain isolated from pomegranate as a new host}, journal = {RSC Advances}, volume = {8}, year = {2018}, month = {AUG}, pages = {29797-29805}, type = {Article}, abstract = {Gluconacetobacter xylinus is a well-known organism that produces bacterial cellulose (BC). The present study was undertaken to find an alternative bacteria from a collection of 216 bacterial isolates, which were isolated from different rotten fruits and fermented beverages, to find a better producer of bacterial cellulose. We obtained a potent strain, which produced a high yield of BC from a rotten pomegranate sample, and was further identified as Komagataeibacter rhaeticus strain PG2 using 16S rRNA gene sequence analysis. To date, only two strains of Komagataeibacter rhaeticus are known to produce BC, and these were mainly isolated from a fermented beverage, kombucha. For the first time, we have isolated a BC producing Komagataeibacter rhaeticus strain PG2 from a rotten pomegranate sample. The new host environment and the substrate utilization pattern of strain PG2 reveal efficient bacterial cellulose production. Hestrin{\textendash}Schramm (HS) liquid media containing glycerol as a carbon source resulted in the highest BC production (\~{}6.9 g L-1). A further increased yield of BC (\~{}8.7 g L-1) was obtained by using 3\% (w/v) glycerol concentration, and this BC yield is the highest reported among any of the known Komagataeibacter rhaeticus strains reported. A detailed physico-chemical characterization of the BC membrane obtained from glycerol (Gly-BC) and glucose (Glc-BC) was performed. Interestingly, Gly-BC is found to be more compact and more crystalline in its nature compared to Glc-BC. The present study reveals the isolation of an efficient BC synthesizing strain using glycerol as a low-cost carbon source, confirming the economic feasibility of BC production. The structural characteristics of the BC membrane produced by glycerol were found to be more suitable for various applications.}, doi = {10.1039/c8ra05295f}, author = {Thorat, M.N. and Dastager, S.G.} } @article {45548, title = {Highly reactive crystalline-phase-embedded strontium-bioactive nanorods for multimodal bioactive applications}, journal = {Biomaterials Science}, volume = {6}, year = {2018}, month = {JUL}, pages = {1764-1776}, type = {Article}, abstract = {In the present work, a crystallization-induced strontium-bioactive material, with a composition similar to Bioglass 45S5 system, was obtained using a sol-gel-assisted microwave method with nanorod morphologies of 30-80 nm in size. The effect of crystallization induced in the glass network, and its influence on the bioactivity and mechanical properties of bone and dentin regeneration, were the main novel findings of this work. Rietveld analysis of X-ray diffraction spectra showed the best fit with sodium (combeite, Na2Ca2Si3O9) and calcium (clinophosinaite, Ca2Na6O14P2Si2; calcium strontium silicate, Ca1.5O4SiSr0.5; and calcium carbonate, CaCO3) enriched crystal systems. Multinuclear solid-state NMR studies provided detailed atomistic insight into the presence of crystalline mineral phases in the bioactive material. The dentin matrix and antibacterial studies showed good results for 5\% strontium-substituted calcium compared with basic 45S5 composition due to its smaller particle size (30 nm), which suggested applications to dentin regeneration. Simulation studies have been demonstrated with clinophosinaite crystal data from the XRD spectra, with the glycoprotein salivary metabolites also showing that 5\% strontium-substituted calcium has a higher binding affinity for the salivary compound, which is suitable for dentin regeneration applications. In vitro apatite formation studies showed that this material is suitable for bone regeneration applications.}, issn = {20474830}, doi = {10.1039/c8bm00362a}, author = {Durgalakshmi, D. and Ajay Rakkesh, R. and Kesavan, M. and Ganapathy, S. and Ajithkumar, T.G. and Karthikeyan, S. and Balakumar, S.} } @article {44350, title = {Hydrothermally synthesized fluorescent Zn2SnO4 nanoparticles for dye sensitized solar cells}, journal = {Dyes and Pigments}, volume = {154}, year = {2018}, month = {JUL}, pages = {303-313}, type = {Article}, abstract = {In this work, we have investigated the interaction of hydrothermally synthesized Zn2SnO4 (ZTO) nanoparticles (NPs) with two different commercial photo sensitizers such as N719 and N3 dye molecules and studied their performance in dye sensitized solar cells (DSSC). Interestingly, the ZTO NPs exhibited band edge emission in the mid UVA region and as a result possibility of enhanced light harvesting in the terminal UVA region was anticipated in the device due to the efficient energy transfer observed in case of the sensitizer N719 than N3. The dye sensitization property has been found to be higher for the N3 dye molecules than the N719 dye molecules as based on the time dependent dye loading study. The devices fabricated with ZTO-N719 exhibited improved photovoltaic performance compared to the ZTO-N3 based devices exhibiting an overall conversion efficiency of 2.56\% by the former compared to the later (1.90\%) under 1SUN 1.5AM illumination and sensitization for 12 h.}, doi = {10.1016/j.dyepig.2017.12.066}, author = {Das, Partha Pratim and Roy, Anurag and Agarkar, Shruti and Devi, Parukuttyamma Sujatha} } @article {44611, title = {Impact of half-crown/two carbonyl:-Ca2+ metal ion interactions of a low molecular weight gelator (LMWG) on its fiber to nanosphere morphology transformation with a gel-to-sol phase transition}, journal = {Soft Matter}, volume = {14}, year = {2018}, month = {JUL}, pages = {5821-5831}, abstract = {

We report here a smart functional low molecular weight gelator (LMWG) L, containing an unusual metal ion coordination site, i.e. {\textquoteleft}{\textquoteleft}half-crown/two carbonyl{\textquoteright}{\textquoteright}. The gelator L shows excellent gelation behavior with typical fibrillar morphology in acetonitrile, methanol and ethanol media. Upon Ca2+ ion binding with its {\textquoteleft}{\textquoteleft}half-crown/two carbonyl{\textquoteright}{\textquoteright} coordination site, the acetonitrile gel of L exhibits a fiber to nanosphere morphology transformation along with a gel-to-sol phase transition as confirmed by microscopic investigation and by direct naked eye visualization, respectively. The mechanism involved in this morphology transformation and gel-to-sol phase transition process was studied thoroughly with the help of computational calculations and various spectroscopic experiments and discussed.

}, issn = {1744-683X}, doi = {10.1039/c8sm01071d}, author = {Maity, Arunava and Dey, Ananta and Si, Mrinal Kanti and Ganguly, Bishwajit and Das, Amitava} } @conference {44598, title = {Impact of stereochemistry on sharing chemical structures}, booktitle = {255th National Meeting and Exposition of the American-Chemical-Society (ACS) - Nexus of Food, Energy, and Water}, year = {2018}, month = {MAR}, publisher = {ACS, 1155 16TH ST, NW, Washington, DC 20036 USA}, organization = {ACS, 1155 16TH ST, NW, Washington, DC 20036 USA}, address = {New Orleans, LA}, author = {Banik, Gregory and Karthikeyan, Muthukumarasamy and Nedwed, Karl and Kunitsky, Keith and D{\textquoteright}Souza, Michelle and Abshear, Ty} } @article {44106, title = {Incorporation of carbon nanofibers into a matrimid polymer matrix: effects on the gas permeability and selectivity properties}, journal = {Applied Polymer}, volume = {Volume 135, }, year = {2018}, month = {MAR}, type = {Journal Article}, chapter = {46019}, abstract = {

Composite membranes containing carbon nanofibers (CNFs) and Matrimid were prepared by a solution-casting method. Prepared Matrimid{\textendash}CNF composite membranes were characterized with X-ray diffraction, thermogravimetric analysis, differential scanning calorimetry, Fourier transform infrared spectroscopy, scanning electron microscopy, transmission electron microscopy, and mechanical testing techniques. The mechanical properties of the composite membranes increased over that of the pristine polymeric membranes. To develop a broad fundamental understanding of the connection between the composite architecture and gas-transport properties, both the gas-permeability and gas-separation characteristics were evaluated. The gas-transport properties of the Matrimid{\textendash}CNF composite membrane was measured with a single gas-permeation setup (He, H2, N2, CH4\ and CO2) at ambient temperature with the variable-volume method. The incorporation of CNFs (0.5{\textendash}10 wt \%) into the Matrimid matrix resulted in approximately a 22\% reduction in the gas permeation of various gases, (H2, He, CO2, N2, and CH4). Moreover, an improvement of 1.5 times in the gas selectivity was observed for CO2/CH4, H2/CH4, He/CH4, and H2/N2\ compared to pristine polymeric membrane. Hence, such polymer{\textendash}CNF composite membranes could be suitable for gas-separation applications with high purity requirements. {\textcopyright} 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci.\ 2018,\ 135, 46019.

}, issn = {1097-4628}, doi = {10.1002/APP.46019}, author = {Dohade, Manisha} } @article {45412, title = {Influence of chain length of long-chain fatty acid surfactant on the thermal conductivity of magnetite nanofluids in a magnetic field}, journal = {Colloids and Surfaces A-Physicochemical and Engineering Aspects}, volume = {555}, year = {2018}, month = {OCT}, pages = {525-531}, type = {Article}, abstract = {

Stable magnetic nanofluids are prepared by dispersing long-chain fatty acid surfactants coated magnetite (Fe3O4) nanoparticles in toluene and investigated the effect of chain length of the surfactant molecules on the thermal conductivity of the magnetite nanofluids in a magnetic field. Superparamagnetic magnetite nanoparticles having a comparable particle size (similar to 10 nm) are coated with three different long-chain fatty acid surfactants; myristic acid (C13H27COOH), palmitic acid (C15H31COOH) and stearic acid (C17H35COOH). The thermal conductivity of the nanofluids, in a magnetic field, is found to decrease with increasing the chain length of the surfactant molecule. Among the three fluids, the shorter chain myristic acid coated nanofluid showed larger enhancement in the thermal conductivity at smaller fields as compared to the other fluids. The results indicated that the chain length of the surfactant molecule present on the surface of the magnetite nanoparticles affect the thermal conductivity of the magnetic nanofluid in an external magnetic field, due to the difference in the extent of interdigitation of the surfactant molecules.

}, issn = { 0927-7757}, doi = {10.1016/j.colsurfa.2018.07.034}, author = {Dadwal, Arun and Dadwal, Arun} } @article {44586, title = {Integrated transcriptomic and proteomic analyses suggest the participation of endogenous protease inhibitors in the regulation of protease gene expression in helicoverpa armigera}, journal = {Molecular \& Cellular Proteomics}, volume = {17}, year = {2018}, month = {JUL}, pages = {1324-1336}, abstract = {Insects adapt to plant protease inhibitors (PIs) present in their diet by differentially regulating multiple digestive proteases. However, mechanisms regulating protease gene expression in insects are largely enigmatic. Ingestion of multi-domain recombinant Capsicum annuum protease inhibitor-7 (CanPI-7) arrests growth and development of Helicoverpa armigera (Lepidoptera: Noctuidae). Using de novo RNA sequencing and proteomic analysis, we examined the response of H. armigera larvae fed on recombinant CanPI-7 at different time intervals. Here, we present evidence supporting a dynamic transition in H. armigera protease expression on CanPI-7 feeding with general down-regulation of protease genes at early time points (0.5 to 6 h) and significant up-regulation of specific trypsin, chymotrypsin and aminopeptidase genes at later time points (12 to 48 h). Further, coexpression of H. armigera endogenous PIs with several digestive protease genes were apparent. In addition to the differential expression of endogenous H. armigera PIs, we also observed a distinct novel isoform of endogenous PI in CanPI-7 fed H. armigera larvae. Based on present and earlier studies, we propose potential mechanism of protease regulation in H. armigera and subsequent adaptation strategy to cope with anti-nutritional components of plants.}, doi = {10.1074/mcp.RA117.000533}, author = {Lomate, Purushottam R. and Dewangan, Veena and Mahajan, Neha S. and Kumar, Yashwant and Kulkarni, Abhijeet and Wang, Li and Saxena, Smita and Gupta, Vidya S. and Giri, Ashok P.} } @article {44220, title = {Integrative analysis of rewired central metabolism in temozolomide resistant cells}, journal = {Biochemical and Biophysical Research Communications}, volume = {495}, year = {2018}, month = {JAN}, pages = {2010-2016}, type = {Article}, abstract = {

An authenticated U87MG clonal glioblastoma cell line was investigated to identify a sub-population of neurospheroidal (NSP) cells within the main epithelial population (U87MG). The NSP cells sorted using Fluorescence Assisted Cell Sorting (FACS) showed varied morphology, 30\% lower growth rates, 40\% higher IC50 values for temozolomide drug and could differentiate into the glial cell type (NDx). Metabolite profiling using HR-LCMS identified glucose, glutamine and serine in both populations and tryptophan only in U87MG as growth limiting substrates. Glycine, alanine, glutamate and proline were secreted by U87MG, however proline and glycine were re-utilized in NSP. Exo-metabolite profiling and phenotypic microarrays identified differential metabolism of primary carbon sources glucose and derived pyruvate for U87MG; glutamine and derived glutamate metabolism in NSP. Differential mRNA abundance of AKT1, PTEN, PIK3CA controlling metabolism, drug efflux, nutrient transport and epigenetic control MDM2 are potentially critical in shaping DNA methylation effects of temozolomide. Our study provides a new insight into the combined effect of these factors leading to temozolomide resistance in NSP. (C) 2017 Elsevier Inc. All rights reserved.

}, keywords = {Glutamine, Metabolic rewiring, Metabolite profiling, mRNA abundances, Temozolomide resistance, U87MG}, issn = {0006-291X}, doi = {10.1016/j.bbrc.2017.12.073}, author = {Immanuel, Selva Rupa C. and Ghanate, Avinash D. and Parmar, Dharmeshkumar S. and Marriage, Fiona and Panchagnula, Venkateswarlu and Day, Nap J. and Raghunathan, Anu} } @article {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 {44164, title = {Intrinsically microporous polyimides containing spirobisindane and phenazine units: synthesis, characterization and gas permeation properties}, journal = {Journal of Polymer Science Part A - Polymer Chemistry}, volume = {56}, year = {2018}, month = {APR }, pages = {766-775}, abstract = {A new diamine containing spirobisindane and phenazine units, namely, 3,3,3,3-tetramethyl-2,2,3,3-tetrahydro-1,1-spirobi[cyclopenta[b]phen azine]-7,7-diamine (TTSBIDA) was synthesized starting from commercially available 5,5,6,6-tetrahydroxy-3,3,3,3-tetramethyl-1,1-spirobisindane (TTSBI). TTSBI was oxidized to 3,3,3,3-tetramethyl-2,2,3,3-tetrahydro-1,1-spirobi[indene]-5,5,6,6-tet raone (TTSBIQ) which was subsequently condensed with 4-nitro-1,2-phenylenediamine to obtain 3,3,3,3-tetramethyl-7,7-dinitro-2,2,3,3-tetrahydro-1,1-spirobi[cyclope nta[b]phenazine] (TTSBIDN). TTSBIDN was converted into TTSBIDA by reduction of the nitro groups using hydrazine hydrate in the presence of Pd/C as the catalyst. A series of new polyimides of intrinsic microporosity (PIM-PIs) were synthesized by polycondensation of TTSBIDA with commercially available aromatic dianhydrides. PIM-PIs exhibited amorphous nature, high thermal stability (T-10\>480 degrees C) and intrinsic microporosity (BET surface area=59-289 m(2)/g). The gas permeation characteristics of films of selected PIM-PIs were evaluated and they exhibited appreciable gas permeability as well as high selectivity. The CO2 and O-2 permeability of PIM-PIs were in the range 185.4-39.2 and 30.6-6.2 Barrer, respectively. Notably, polyimide derived from TTSBIDA and 4,4-(hexafluoroisopropylidene)diphthalic anhydride (PIM-PI-6FDA) exhibited high CO2 and O-2 permeability of 185.4 and 30.6 Barrer with CO2/CH4 and O-2/N-2 selectivity of 43.1 and 5.1, respectively. The data of PIM-PI-6FDA for CO2/CH4 and O-2/N-2 gas pairs were located near Robeson upper bound. (c) 2018 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2018, 56, 766-775}, keywords = {Gas permeability, intrinsic microporosity, polyimides, spirobisindane}, issn = {0887-624X}, doi = {10.1002/pola.28950}, author = {Shrimant, Bharat and Dangat, Yuvraj and Kharul, Ulhas K. and Wadgaonkar, Prakash P.} } @article {44595, title = {Investigation of disorder in mixed phase, sp(2)-sp(3) bonded graphene-like nanocarbon}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {18}, year = {2018}, month = {APR}, pages = {2504-2512}, abstract = {

Disorder in a mixed phase, sp(2)-sp(3) bonded graphene-like nanocarbon (GNC) lattice has been extensively studied for its electronic and field emission properties. Morphological investigations are performed using scanning electron microscopy (SEM) which depicts microstructures comprising of atomically flat terraces (c-planes) with an abundance of edges (ab planes which are orthogonal to c-planes). Scanning tunneling microscopy (STM) is used to observe the atomic structure of basal planes whereas field emission microscopy (FEM) is found to be suitable for resolving nanotopography of edges. STM images revealed the hexagonal and non-hexagonal atomic arrangements in addition to a variety of defect structures. Scanning tunneling spectroscopy is carried out to study the effect of this short-range disorder on the local density of states. Current versus voltage (I-V) characteristics have been recorded at different defect sites and are compared with respect to the extent of the defect. As sharp edges of GNC are expected to be excellent field emitters, because of low work function and high electric field, enhancement in current is observed particularly when applied electric field is along basal planes. Therefore, it is worthwhile to investigate field emission from these samples. The FEM images show a cluster of bright spots at low voltages which later transformed into an array resembling ledges of ab-planes with increasing voltage. Reproducible I-V curves yield linear Fowler-Nordheim plots supporting field emission as the dominant mechanism of electron emission. Turn on field for 10 mu A current is estimated to be similar to 3 V/mu m.

}, keywords = {Field emission microscopy, Graphene-Like Nanocarbon, Scanning tunneling microscopy, Scanning Tunneling Spectroscopy}, issn = {1533-4880}, doi = {10.1166/jnn.2018.14312}, author = {Patil, Sumati and Kolekar, Sadhu and Kumar, Arvind and Alegaonkar, Prashant and Datar, Suwarna and Dharmadhikari, C. V.} } @article {44383, title = { Investigations on optical properties of ZnO decorated graphene oxide (ZnO@GO) and reduced graphene oxide (ZnO@r-GO)}, journal = {Journal of Alloys and Compounds}, volume = {744}, year = {2018}, month = {MAY}, pages = {64-74}, abstract = {The present investigation is based on the production of reduced graphene oxide (r-GO) from the graphene oxide using Hummer{\textquoteright}s (GO) and improved Hummer{\textquoteright}s methods (IGO) at elaborated conditions, named as GO and IGO, respectively hereafter. In contrast to previously known techniques, the presented process does not generate toxic gas. Meanwhile, the reduction temperature can be easily controlled. This approach provides a more significant amount of hydrophilic oxidized graphene as compared to GO and IGO with the use of additional KMnO4. Thus synthesized IGO was used to produce r-GO by thermal treatment. The morphological characteristics show that the obtained samples have a wrinkled paper-like morphology with severely folded lines. However, r-GO has double layers and multilayer at the edges. All the products (GO, IGO, and r-GO) have been decorated with ZnO nanoparticles (NPs). The XRD patterns of ZnO@GO composites have confirmed the characteristic peaks of wurtzite ZnO indicating the formation of ZnO nanoparticles onto the surface of graphene. The microscopic studies confirm the random growth/decoration of ZnO NPs on the surface of GO/IGO/r-GO sheets. However, in IGO and r-GO, loading/growth of ZnO NPs are less as compared to ZnO@GO. Overall structural studies indicate the oxidation of graphite and reduction of graphene oxide into r-GO sheets and ZnO decoration. Upon UV excitations, a bright blue emission has been exhibited by the GO that originates from geminate recombination of localized e-h pairs in sp(2) clusters those primarily act as the luminescent centers. The noteworthy enhancement in the emission intensities after the incorporation of ZnO nanoparticles on the surface of GO is observed. The improved synthesis method and low-temperature reduction technique of GO may be essential for the large-scale production of r-GO as well as the construction of devices composed of ZnO@GO/IGO/r-GO. (C) 2018 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.jallcom.2018.02.057}, author = {Kumar, Pushpendra and Som, Sudipta and Pandey, Mukesh K. and Das, Subrata and Chanda, Anupama and Singh, Jai} } @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 {44378, title = {Ligand/additive/base-free C(sp(2))-H activation and isocyanide insertion in PEG-400: synthesis of indolizine/imidazoline-fused heterocycles}, journal = {ChemistrySelect}, volume = {3}, year = {2018}, month = {MAY}, pages = {4581-4585}, abstract = {A ligand/base/metal oxidant free Pd-catalyzed C(sp(2))-H activation, followed by isocyanide insertion to synthesize indolizine/imidazoline fused heterocyclics in PEG-400 as a recyclable solvent. The present transformation is greener and an efficient strategy using oxygen as external oxidant. The spectroscopic properties of selected indolizine/imidazoline fused heterocyclics were studied by UV-visible and fluorescence spectroscopy.}, doi = {10.1002/slct.201800397}, author = {Kumar, K. Shiva and Rajesham, Bandari and Kumar, N. Praveen and Ramulu, Meesa Siddi and Dandela, Rambabu} } @article {44617, title = {Lower scaling approximation to EOM-CCSD: a critical assessment of the ionization problem}, journal = {International Journal of Quantum Chemistry}, volume = {118}, year = {2018}, month = {JUL}, pages = {e25594}, abstract = {

In this article, we investigate the performance of different approximate variants of the EOM-CCSD method for calculation of ionization potential (IP), as compared to EOM-CCSDT reference values. None of the lower scaling approximations to the EOM-CCSD method give a consistent performance for valence, inner valence, and core ionization, favoring one, or the other depending on the nature of the approximation used. The parent EOMIP-CCSD method gives superior performance for valence IP but can show large errors for inner valence and core ionization. The problem is particularly severe for core-ionization, where even the EOMIP-CCSDT method cannot provide quantitative accuracy.

}, keywords = {EOM-CCSD, Ionization potential, lower scaling}, issn = {0020-7608}, doi = {10.1002/qua.25594}, author = {Dutta, Achintya Kumar and Vaval, Nayana and Pal, Sourav} } @article {45360, title = {Machine learning prediction of interaction energies in rigid water clusters}, journal = {Physical Chemistry Chemical Physics }, volume = {20}, year = {2018}, month = {SEP}, pages = {22987-22996}, type = {Article}, abstract = {Classical force fields form a computationally efficient avenue for calculating the energetics of large systems. However, due to the constraints of the underlying analytical form, it is sometimes not accurate enough. Quantum mechanical (QM) methods, although accurate, are computationally prohibitive for large systems. In order to circumvent the bottle-neck of interaction energy estimation of large systems, data driven approaches based on machine learning (ML) have been employed in recent years. In most of these studies, the method of choice is artificial neural networks (ANN). In this work, we have shown an alternative ML method, support vector regression (SVR), that provides comparable accuracy with better computational efficiency. We have further used many body expansion (MBE) along with SVR to predict interaction energies in water clusters (decamers). In the case of dimer and trimer interaction energies, the root mean square errors (RMSEs) of the SVR based scheme are 0.12 kcal mol(-1) and 0.34 kcal mol(-1), respectively. We show that the SVR and MBE based scheme has a RMSE of 2.78\% in the estimation of decamer interaction energy against the parent QM method in a computationally efficient way.}, doi = {10.1039/c8cp03138j}, author = {Bose, Samik and Dhawan, Diksha and Nandi, Sutanu and Sarkar, Ram Rup and Ghosh, Debashree} } @article {44516, title = {Mechanism of the formation of microphase separated water clusters in a water-mediated physical network of perfluoropolyether tetraol}, journal = {Soft Matter}, volume = {14}, year = {2018}, month = {MAR}, pages = {2339-2345}, abstract = {

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

}, issn = {1744-683X}, doi = {10.1039/c7sm02181j}, author = {Deshpande, Ashwini A. and Torris, Arun A. T. and Pahari, Swagata and Menon, Shamal K. and Badiger, Manohar V. and Rajamohanan, P. R. and Wadgaonkar, Prakash P. and Roy, Sudip and Tonelli, Claudio} } @article {44520, title = {Mechano-responsive room temperature luminescence variations of boron conjugated pyrene in air}, journal = {Chemical Communications}, volume = {54}, year = {2018}, month = {JUN}, pages = {6028-6031}, abstract = {

Stimuli responsive tunable luminescence is a promising field of research. Even though mechanofluorescence is widely studied, mechanophosphorescence remains unexplored. Here we report the mechano-driven fluorescence and phosphorescence variations of a pyrene tetraboronic ester derivative. The fluorochromic and room temperature phosphorescence features are supported by theoretical studies and single crystal analysis. The mechanically ground fluorescence active but phosphorescence inactive pyrene tetraboronic ester exhibits room temperature phosphorescence in air withmechanical force. The efficient intermolecular electronic coupling in the dimer formed upon scratching enables a good communication between singlet and triplet states, hence resulting in room temperature mechanophosphorescence.

}, issn = {1359-7345}, doi = {10.1039/c8cc03494j}, author = {Wakchaure, Vivek C. and Ranjeesh, Kayaramkodath C. and Goudappagouda and Das, Tamal and Vanka, Kumar and Gonnade, Rajesh and Babu, Sukumaran S.} } @article {44522, title = {Mesoporous shell@macroporous core aluminosilicates as sustainable nanocatalysts for direct N-alkylation of amines}, journal = {Chemnanomat}, volume = {4}, year = {2018}, month = {JUN}, pages = {537-541}, abstract = {

Aluminosilicate spheres with a macroporous core and mesoporous shell (Si/Al ratio of 11) is synthesised by a sol-gel method utilizing cetyltrimethyl ammonium bromide (CTAB) as a structure directing agent in basic medium. The selective incorporation of aluminium in the silica matrix results in the formation of aluminosilicates with an overall acidity of 0.32mmol/g with interconnected pores. Direct N-alkylation reaction is a prototype of C-N bond formation reaction and meso- macroporous aluminosilicate is shown to catalyze this reaction with excellent yield. The catalyst is tested and found sustainable for five catalytic cycles even without any high temperature regeneration step.

}, keywords = {Aluminosilicates, macroporous, Mesoporous, N-alkylation, nanocatalysis}, issn = {2199-692X}, doi = {10.1002/cnma.201800081}, author = {Sekhar, Anandakumari C. Sunil and Ashokkumar, Anumol Erumpukuthickal and Cygnet, Choorapoikayil T. and Lakshmi, Saseendranpillai Vidhya and Deepak, Francis Leonard and Vinod, Chathakudath P.} } @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 {45364, title = {Metamagnetism in nanosheets of Co-II-MOF with T-N at 26 K and a giant hysteretic effect at 5 K}, journal = {Inorganic Chemistry }, volume = {57}, year = {2018}, month = {DEC}, pages = {15044-15047}, type = {Article}, abstract = {Herein, we have synthesized at room-temperature two-dimensional nanosheets of a MOF comprised of cobalt(II) ion with benzenedicarboxylic acid ligand, which exhibited unusual magnetic properties. Direct-current magnetic susceptibility revealed an anti-ferromagnetic (AFM) transition at 26 K (Neel temperature, T-N) followed by a canting of the spin moments along with the concomitant appearance of a sigmoidal-shaped magnetization versus field (M-H) curve at 15 K. Such a canted AFM ordering led to nonzero remnant magnetization with a remarkably high coercive field of similar to 10 kOe at 5 K. Metamagnetism was further: substantiated by the alternating-current magnetic susceptibility measurements.}, issn = {0020-1669}, doi = {10.1021/acs.inorgchem.8b03064}, author = {Gupta, Kriti and Dadwal, Arun and Rana, Shammi and Jha, Plawan Kumar and Jain, Anil and Yusuf, S. M. and Joy, Pattayil A. and Ballav, Nirmalya} } @article {44196, title = {Method for identification of sensitive nodes in boolean models of biological networks}, journal = {IET Systems Biology}, volume = {12}, year = {2018}, month = {FEB}, pages = {1-6}, type = {Article}, abstract = {

Biological systems are often represented as Boolean networks and analysed to identify sensitive nodes which on perturbation disproportionately change a predefined output. There exist different kinds of perturbation methods: perturbation of function, perturbation of state and perturbation in update scheme. Nodes may have defects in interpretation of the inputs from other nodes and calculation of the node output. To simulate these defects and systematically assess their effect on the system output, two new function perturbations, referred to as not of function{\textquoteright} and function of not{\textquoteright}, are introduced. In the former, the inputs are assumed to be correctly interpreted but the output of the update rule is perturbed; and in the latter, each input is perturbed but the correct update rule is applied. These and previously used perturbation methods were applied to two existing Boolean models, namely the human melanogenesis signalling network and the fly segment polarity network. Through mathematical simulations, it was found that these methods successfully identified nodes earlier found to be sensitive using other methods, and were also able to identify sensitive nodes which were previously unreported.

}, keywords = {biological networks, Boolean functions, Boolean models, fly segment polarity network, human melanogenesis signalling network, perturbation methods, Perturbation theory, physiological models}, issn = {1751-8849}, doi = {10.1049/iet-syb.2017.0039}, author = {Dnyane, Pooja A. and Puntambekar, Shraddha S. and Gadgil, Chetan J.} } @article {44526, title = {Microbacterium telephonicum sp nov., isolated from the screen of a cellular phone}, journal = {International Journal of Systematic and Evolutionary Microbiology}, volume = {68}, year = {2018}, month = {APR}, pages = {1052-1058}, abstract = {

A cultivation-based study of the microbial diversity of cellular phone screens led to the isolation of a Gram-stain-positive, aerobic, rod-shaped and non-endospore-forming bacterium, designated S2T63(T), exhibiting phenotypic and genotypic characteristics unique to the type strains of closely related species. Phylogenetic analysis based on 16S rRNA gene sequences indicated that the strain is a member of Microbacterium, and most closely related to Microbacterium aurantiacum IFO 15234(T) and Microbacterium kitamiense Kitami C2(T). The DNA-DNA relatedness values of the strain S2T63(T) to M. aurantiacum KACC 20510(T), M. kitamiense KACC 20514(T) and Microbacterium laevaniformans KACC 14463(T) were 65\% (+/- 4), 29.5\% (+/- 3) and 55.9\% (+/- 4), respectively. The genomic DNA G+C content was 71.8 mol\%. The major fatty acids were anteiso C-15:0, iso-C-16 : 0, C-16 : 0 and anteiso-C-17 : 0. The main polar lipids were diphosphatidylglycerol, phosphatidylethanolamine, phosphatidylglycerol and two unidentified polar lipids. The peptidoglycan contained the amino acids glycine, lysine, alanine and glutamic acid, with substantial amounts of hydroxy glutamic acid detected, which is characteristic of peptidoglycan type B1 alpha. The predominant menaquinones were MK-12 and MK-13. Rhamnose, fucose and galactose were the whole-cell sugars detected. The strain also showed biofilm production, estimated by using crystal violet assay. Based on the results of the phenotypic and genotypic characterizations, it was concluded that the new strain represents a novel species of the genus Microbacterium, for which the name Microbacterium telephonicum is proposed, with S2T63(T) (=MCC 2967 T = KACC 18715 T = LMG 29293(T)) as the type strain.

}, keywords = {actinobacteria, bio-film, MALDI-TOF MS, mobile phone}, issn = {1466-5026}, doi = {10.1099/ijsem.0.002622}, author = {Rahi, Praveen and Kurli, Rashmi and Pansare, Aabeejjeet N. and Khairnar, Mitesh and Jagtap, Shubhangi and Patel, Nisha B. and Dastager, Syed G. and Lawson, Paul A. and Shouche, Yogesh S.} } @article {44528, title = {Mixed bacterial culture mediated direct conversion of bio-glycerol to diols}, journal = {Bioresource Technology}, volume = {250}, year = {2018}, month = {FEB}, pages = {86-93}, abstract = {

Direct and economic transformation of biodiesel derived crude glycerol is gaining more significance. During screening of bacterial cultures Klebsiella pneumoniae and Enterobacter aerogenes were able to convert crude bio-glycerol to 2,3-butanediol (2,3-BDO) and 1,3-propanediol (1,3-PDO), as major compounds, ethanol and acetoin as minor compounds, with a conversion of 69\% and 79\% respectively. Process optimization could achieve maximum conversion at pH 7.0, 37 degrees C, 30-40 g/L glycerol and 1.5 g of inoculum until 120 h. Mixed cultures led to complete glycerol conversion with optimal yield and productivity. An innovative approach of using crude glycerol for sustained growth and tolerance of bacteria as source of carbon and energy makes this study more significant. In addition to this, a mixed culture concept introduced here is expected to make impact in process economics for industrial scale synthesis for direct transformation of glycerol into C3 and specifically, C4 diols.

}, keywords = {1, 2, 3-Butanediol, 3-Propanediol, Bioconversion, Bioglycerol, Mixed culture}, issn = {0960-8524}, doi = {10.1016/j.biortech.2017.11.019}, author = {Parate, Roopa and Mane, Rasika and Dharne, Mahesh and Rode, Chandrashekhar} } @article {44632, title = {Morphology and thermophysical properties of non-aqueous titania nanofluids}, journal = {Heat and Mass Transfer}, volume = {54}, year = {2018}, month = {SEP}, pages = {2645-2650}, abstract = {

This work deals with the experimental investigation on thermophysical properties of TiO2-nanofluids and characterization of morphology and structure of TiO2 nanoparticles. Non-aqueous liquids like silicone oil and ethylene glycol are used as base fluids to prepare the nanofluids. Thermophysical properties including viscosity and thermal conductivity of these nanofluids are measured at different concentrations and temperatures. Results showed that silicone oil-based TiO2 nanofluid is Newtonian and the viscosity of this nanofluid increases with the loading of nanoparticles but it decreases nonlinearly with increasing temperature. Existing viscosity models are found unable to predict the viscosity of nanofluids. Although the effective thermal conductivities of both the silicone oil and ethylene glycol-based nanofluids increased with the TiO2 concentration, their enhanced thermal conductivity was found to decrease with increasing temperature.

}, issn = {0947-7411}, doi = {10.1007/s00231-018-2308-4}, author = {Murshed, S. M. S. and Santos, F. J. V. and Nieto de Castro, C. A. and Patil, V. S. and Patil, K. R.} } @article {44537, title = {Ni(OH)(2)-Fe2O3/CNOs ternary nanocomposite designed as an anode with complementary properties for high-performance li-ion battery}, journal = {Chemistryselect}, volume = {3}, year = {2018}, month = {FEB}, pages = {2286-2292}, type = {Article }, abstract = {

Synthesis of the new ternary hybrid composite with excellent electrochemical performances for Li-ion battery is demonstrated. The ternary hybrid composite of Ni(OH)(2)-Fe2O3/Carbon Nano Onions (NFOC) is synthesized by using two-step solution phase method delivers a high reversible discharge capacity of 928 mAhg(-1) at 50 mAg(-1) and 673 mAhg(-1) at a higher current density of 1000 mAg(-1) with excellent rate performance. Additionally, it shows to have stable cycle life up to 1000 cycles with 96\% capacity retention and more than 99\% of coulombic efficiency. The synergetic effect between Ni(OH)(2), Fe2O3 and carbon nano onions (CNOs) as well as the unique feature of heterostructures are responsible for the improved electrochemical performance of the battery. The reversible reaction of Fe2O3 and Ni(OH)(2) with Li, maintains its long cycle life with higher reversible discharge capacity and CNOs improve the efficient electronic transfer, accommodate substantial volume expansion and maintain the structural integrity of the material during lithiation-delithiation process.

}, keywords = {Heterostructures, Long cycle stability, Superior rate capability, Ternary Composite, Transition metal oxides}, issn = {2365-6549}, doi = {10.1002/slct.201702779}, author = {Dwivedi, Pravin Kumari and Muniraj, Vedi Kuyil Azhagan and Devarapalli, Rami Reddy and Shelke, Manjusha V.} } @article {44597, title = {N-Methylation of isoDGR peptides: discovery of a selective alpha 5 beta 1-integrin ligand as a potent tumor imaging agent}, journal = {Journal of Medicinal Chemistry}, volume = {61}, year = {2018}, month = {MAR}, pages = {2490-2499}, type = {Article}, abstract = {

Specific targeting of the integrin subtype alpha 5 beta 1 possesses high potential in cancer diagnosis and therapy. Through sequential N-methylation, we successfully converted the biselective alpha 5 beta 1/alpha v beta 6 peptide c(phg-isoDGR-k) into a potent peptidic RGD binding aSfil subtype selective ligand c(phg-isoDGR-(NMe)k). Nuclear magnetic resonance spectroscopy and molecular modeling clarified the molecular basis of its improved selectivity profile. To demonstrate its potential in vivo, c(phg-isoDGR-(NMe)k) was trimerized with the chelator TRAP and used as a positron-emission tomography tracer for monitoring alpha 5 beta 1 integrin expression in a M21 mouse xenograft.

}, issn = {0022-2623}, doi = {10.1021/acs.jmedchem.7b01752}, author = {Kapp, Tobias G. and Di Leva, Francesco Saverio and Notni, Johannes and Raeder, Andreas F. B. and Fottner, Maximilian and Reichart, Florian and Reich, Dominik and Wurzer, Alexander and Steiger, Katja and Novellino, Ettore and Marelli, Udaya Kiran and Wester, Hans-Juergen and Marinelli, Luciana and Kessler, Horst} } @article {45579, title = {Nonconventional method for drying of Pseudomonas aeruginosa and its comparison with conventional methods}, journal = {Drying Technology}, volume = {37}, year = {2018}, month = {MAY}, pages = {839-853}, type = {Article}, abstract = {

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

}, keywords = {cell survival, Encapsulation, freeze drying, Low-temperature low-humidity (LTLH) drying, Pseudomonas aeruginosa, spray drying}, issn = {0737-3937}, doi = {10.1080/07373937.2018.1469140}, author = {Umashankar, K., and Chandralekha, A. and Dandavate, T., and Tavanandi, H. A. and Raghavarao, K. S. M. S.} } @article {44538, title = {Non-isothermal analysis of extrusion film casting using multi-mode Phan-Thien Tanner constitutive equation and comparison with experiments}, journal = {Rheologica Acta}, volume = {57}, year = {2018}, month = {JUL}, pages = {493-503}, abstract = {

Extrusion film casting (EFC) is an industrially important process which produces thousands of tons of polymer films, sheets, and coating used for various industrial as well as household applications. In this paper, we focus on an instability which occurs during certain polymer processing operations operating under predominantly elongational flow, such as extrusion film casting and fiber spinning. This instability, called the draw resonance, occurs in the form of sustained periodic fluctuations in the film dimensions. It appears when the process goes beyond the critical line speed of the EFC process. In this work, a conventional linear stability analysis is carried out for nonisothermal EFC process to determine the onset of the draw resonance. The polymer rheology is modeled by the Phan-Thien Tanner (PTT) multi-mode constitutive equation. For the implementation, a conventional shooting method approach is used. Extrusion film casting experiments were also carried out using a conventional linear low-density polyethylene (LLDPE) by varying process parameters such as draw ratio and aspect ratio, to observe the effect on the stability of the process. Linear stability analysis results under non-isothermal conditions are compared and validated with existing results from literature and with our own experimental data. This work displays the effect of multiple relaxation modes as well as the temperature influence on the stability of EFC process. Finally, results also indicate that the temperature highly affects the stability of the EFC process and cannot be ignored from modeling of EFC process.

}, keywords = {Deborah number, Draw resonance, Film extrusion, Multi-mode, Nonisothermal, stability}, issn = {0035-4511}, doi = {10.1007/s00397-018-1095-7}, author = {Chougale, Sanket and Rokade, Dhammaraj and Bhattacharjee, Tanushree and Pol, Harshawardhan and Dhadwal, Renu} } @article {44364, title = {Novel synthesis of immobilized bronsted- acidic ionic liquid: application in lignin depolymerization}, journal = {Chemistryselect}, volume = {3}, year = {2018}, month = {MAY}, pages = {5461-5470}, type = {Article}, abstract = {Designing of efficient catalyst for the valorization of lignin is a topic of long neglect due to intrinsic properties of lignin. We show designing of an efficient, stable and recyclable Immobilized-Bronsted acidic ionic liquid (I-BAIL), which was further used as a solid acid catalyst for the depolymerization of lignin. The synthesized I-BAIL catalyst with sulfonic acid (-SO3H) groups was found to be stable until 250 degrees C and has 42.2 wt.\% loading of BAIL anchored on silica framework. The detailed characterization (elemental, Thermogravimetric analysis, Fourier transformation-infrared, Nuclear magnetic resonance) of catalyst disclosed formation of strong covalent bond between Si and carbon of BAIL, which in turn is responsible for achieving a stable catalyst. The catalyst could successfully depolymerize range of lignin substrates with high molecular weight (60000 Dalton) at 200(degrees)C in 1 h to achieve 90\% yield of tetrahydrofuran soluble products with good mass balance. The formation of products and correlation of products with lignin was achieved with the help of Nuclear magnetic resonance, gel permeation chromatography, gas chromatography, gas chromatography-mass spectrometry, high performance liquid chromatography etc.}, doi = {10.1002/slct.201703050}, author = {Singh, Sandip K. and Dhepe, Paresh L.} } @article {44649, title = {Nutritional quality and antioxidant activity of wheatgrass (Triticum aestivum) unwrap by proteome profiling and DPPH and FRAP assays}, journal = {Journal of Food Science}, volume = {83}, year = {2018}, month = {AUG}, pages = {2127-2139}, abstract = {

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

}, keywords = {Antioxidant, LC-MSE, peroxidase, proteomics, Triticum aestivum, wheatgrass}, issn = {0022-1147}, doi = {10.1111/1750-3841.14224}, author = {Parit, Santosh B. and Dawkar, Vishal V. and Tanpure, Rahul S. and Pai, Sandeep R. and Chougale, Ashok D.} } @article {44025, title = {One pot conversion of furfural to 2-methylfuran in the presence of PtCo bimetallic catalyst}, journal = {Clean Technologies and Environmental Policy}, volume = {20}, year = {2018}, month = {MAY}, pages = {703-713}, type = {Article in Press}, abstract = {

Biomass-derived furfural (FAL) is the platform chemical for synthesis of various value-added chemicals and fuels. One of the FAL-derived chemicals, i.e., 2-methylfuran (2-MF), is the potential biofuel due to its attractive chemical and physical properties. Various methods are reported for conversion of FAL to 2-MF which are operated at high temperature and high H2 pressure. In present work, one pot catalytic method was developed in batch mode process for conversion of FAL to 2-MF. Reactions are carried out in the presence of PtCo/C bimetallic catalyst under 0.5{\textendash}1 MPa H2 pressure. Monometallic and bimetallic catalysts with different Pt and Co loading were prepared by wet impregnation method, and catalysts were characterized by transmission electron microscopy, BET surface area, X-ray photoelectron spectroscopy, X-ray diffraction and inductive coupled plasma atomic emission spectroscopy techniques. 59\% 2-MF yield was achieved at 180 {\textdegree}C and lower (0.5 MPa) H2 pressure.

}, keywords = {2-Methylfuran, Bimetallic catalyst, Co-impregnation, furfural, Hydrodeoxygenation, Hydrogenation}, doi = {10.1007/s10098-017-1408-z}, author = {Dohade, M.G. and Dhepe, P. L.} } @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 {45473, title = {Organocatalytic asymmetric cascade reaction of gamma-substituted deconjugated butenolides with o-formyl-beta-nitrostyrene}, journal = {ChemistrySelect}, volume = {3}, year = {2018}, month = {JUL}, pages = {8189-8192}, type = {Article}, abstract = {

An efficient chemo-, diastereo- and enantio-selective cascade synthesis of functionalized indanols bearing four contiguous stereogenic centres has been developed via the reaction of beta,gamma-butenolides with o-formyl-beta-nitrostyrenes in the presence of bi-functional hydrogen-bonding catalyst. Indanol derivatives containing gamma,gamma-disubstituted butenolides were obtained in good yields and with moderate to high enantioselectivities/diastereoselectivities.

}, keywords = {butenolides, Cascade reaction, Enantioselectivity, Indanol, organocatalysis}, issn = {2365-6549}, doi = {10.1002/slct.201801467}, author = {Deepake, Siddharth K. and Lanjewar, Atul B. and Thatikonda, Thanusha and Gonnade, Rajesh G. and Das, Utpal} } @article {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 {44187, title = {pH- and time-resolved in situ SAXS study of self-assembled twisted ribbons formed by elaidic acid sophorolipids}, journal = {Langmuir}, volume = {34}, year = {2018}, month = {FEB }, pages = {2121-2131}, type = {Article}, abstract = {

Conditions that favor the helical structure formation in structurally similar sophorolipids (SLs), that is, elaidic acid SLs (having a trans double bond between the C9 and C10 positions of the alkyl chain) and stearic acid SLs (no double bond), are presented here. The helical self-assembled structures formed by elaidic acid SLs were independent of pH and also were mediated by a micellar intermediate. On the other hand, the stearic acid SLs formed helical structures under low pH condition only. Astonishingly, the formation routes were found to be different, albeit the molecular geometry of both SLs is similar. Even if a conclusive mechanistic understanding must await further work, our studies strongly point out that the noncovalent weak interactions in elaidic acid SLs are able to overcome the electrostatic repulsions of the sophorolipid carboxylate groups at basic pH and facilitating the formation of helical structures. On the other hand, the hydrophobic interactions in stearic acid SLs endow the helical structures with extra stability, making them less vulnerable to dissolution upon heating.

}, issn = {0743-7463}, doi = {10.1021/acs.langmuir.7b03164}, author = {Dhasaiyan, Prabhu and Prevost, Sylvain and Baccile, Niki and Prasad, Bhagavatula L. V.} } @article {44242, title = {pH dependent sophorolipid assemblies and their influence on gelation of silk fibroin protein}, journal = {Materials Chemistry and Physics}, volume = {203}, year = {2018}, month = {JAN }, pages = {9-16}, type = {Article}, abstract = {

Sophorolipid (SL), a bio-derived surfactant is an excellent gelling agent for natural fibrous protein, silk fibroin (SF) leading to potential biomedical applications. Interaction of SF with SL has been shown to accelerate the formation of hydrogel with the rate being dependent on the form of SL used. Here, we examine the effect of pH on SL-SF interaction and gel formation by employing rheology, fluorescence spectroscopy, SANS and NMR. The results indicate that the size of SL assemblies decrease as pH increases from acidic to alkaline and significantly impacts the association of SL and SF. The association of SF and SL is mainly via hydrophobic interactions, with the SL molecules forming bead like structures along the SF chain. The increased charge on the acidic form of SL at higher pH results in greater repulsion between acidic SL molecules, which are bound to the hydrophobic sites of SF, leading to rapid chain unfolding and subsequent gelation. (C) 2017 Elsevier B.V. All rights reserved.

}, keywords = {Assemblies, Nuclear magnetic resonance spectroscopy, pH, Silk fibroin, Small angle neutron scattering, Sophorolipid}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2017.09.045}, author = {Dubey, Parul and Kumar, Sugam and Ravindranathan, Sapna and Vasudevan, Sahana and Aswal, Vinod K. and Rajamohanan, Pattuparambil R. and Nisal, Anuya and Prabhune, Asmita} } @article {45375, title = { Pharmaceutical standardization and physicochemical characterization of traditional ayurvedic marine drug: incinerated conch shell (shankha bhasma)}, journal = {Marine Drugs}, volume = {16}, year = {2018}, month = {NOV}, type = {Article}, abstract = {Natural resources such as plants, animals and minerals have always been used by mankind to develop drugs and marine world is no exception. Marine by-products like conches, pearls, mother of pearl shells, corals and so forth have been used by traditional Ayurvedic practitioners for centuries. The unique methods of these preparations are scientifically designed to eliminate unwanted impurities and convert them into bioavailable form. In this study, Conch (Xanchus pyrum) was used as a marine resource of calcium carbonate and was converted pharmaceutically from its aragonite form to calcite. All the steps of preparations and changes in the properties therein were documented and validated. Further, traditional as well as modern analytical tools were used to study its physical and chemical characters to develop a monograph. The physical characterization included particle size, X-ray diffraction (XRD), Scanning Electron Microscopy (SEM), Thermogravimetric Analysis (TGA) and Fourier Transform Infra-red (FTIR). Metal composition and heavy metal limits were determined using Inductively Coupled Plasma Optical Emission Spectrometry (ICPOES). This study revealed the rearrangement of aragonite crystals into calcite form by grinding, trituration with aloe vera juice and incineration under controlled conditions. Moreover, the finished product was found to be devoid of organic matrix that is nacre. This study creates a foundation for the development of a master formula for commonly used Shankha Bhasma in Ayurvedic medicines.}, issn = { 1660-3397}, doi = { 10.3390/md16110450}, author = {Chavan, Sandeep and Tayade, Sonali and Gupta, Vidya and Deshmukh, Vineeta and Sardeshmukh, Sadanand} } @article {44548, title = {Phenazine-containing poly(phenylenevinylene): a new polymer with impressive field emission properties}, journal = {Journal of Polymer Research}, volume = {25}, year = {2018}, month = {FEB}, pages = {Article Number: 61}, abstract = {

Phenazine-containing poly(phenylenevinylene) (P(PHN-PV)) was synthesized using Wittig-Horner polycondensation of the appropriately designed monomers viz. 5,10-dioctyl-5,10-dihydrophenazine-2,7-dicarbaldehyde and tetraethyl ((2,5-bis((2-ethylhexyl) oxy)-1,4 phenylene) bis(methylene)) bis(phosphonate). The design embraces the specific motivation of incorporating the nitrogen-containing heterocycle viz. .phenazine in poly(phenylenevinylene) backbone. P(PHN-PV) exhibited reversible redox properties. In the field emission measurements performed on the film of P(F{\textquoteright}HN-PV), the turn-on field was observed to be 1.93 V/mu m for the current density of 10 mu A/cm(2). The maximum current density of similar to 4.87 mA/cm(2) was achieved at the applied field of 3.84 V/mu m. The emission current showed impressive stability for 6 h at a constant current of 1 mu A (current density of about 20 mu A/cm(2)). These results emphasize the role of phenazine heterocycle with lone pair of electrons on nitrogen in lowering the oxidation onset and in turn reduction of the turn-on voltage.

}, keywords = {field emission, Phenazine, Poly(phenylenevinylene)}, issn = {1022-9760}, doi = {10.1007/s10965-017-1428-8}, author = {Chhatre, Shraddha and Ichake, Amol and Harpale, Kashmira and Patil, Sumati and Deshpande, Aparna and More, Mahendra and Wadgaonkar, Prakash P.} } @article {44550, title = {Polysulfide-triggered fluorescent indicator suitable for super-resolution microscopy and application in imaging}, journal = {Chemical Communications}, volume = {54}, year = {2018}, month = {APR}, pages = {3735-3738}, abstract = {

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

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

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

}, issn = {20958293}, doi = {10.1007/s40789-018-0213-6}, author = {Tambe, S.S. and Naniwadekar, M. and Tiwary, S. and Mukherjee, A. and Das, T. B.} } @article {44225, title = {Preparation of metal oxide supported catalysts and their utilization for understanding the effect of a support on the catalytic activity}, journal = {New Journal of Chemistry}, volume = {42}, year = {2018}, month = {JAN}, pages = {402-410}, type = {Article}, abstract = {

A convenient way of anchoring transition metal nanoparticles (palladium, platinum, rhodium and ruthenium) onto metal oxide supports (magnesium oxide and zirconium oxide) by means of a modified sol-gel technique is demonstrated. Use of toluene dispersed, ligand protected pre-synthesized nanoparticles during sol-gel synthesis delivered size-controlled, spatially distributed, well-adhered transition metal nanoparticles (MNPs) on metal oxide supports. The catalytic activities of these supported nanoparticles were tested for the p-nitro phenol reduction reaction. It was observed that the reaction kinetics were crucially dependent on the catalyst support and MNP size. The influence of the magnesium oxide and zirconium oxide supports towards the catalytic performance of the anchored transition MNPs was probed using cyclic voltammetry and the differences in the same were attributed to the support-induced modification in the electronic properties of the MNPs. Our results indicated that magnesium oxide is a better support than zirconium oxide.

}, issn = {1144-0546}, doi = {10.1039/c7nj03753h}, author = {Seth, Jhumur and Dubey, Prashant and Chaudhari, Vijay R. and Prasad, Bhagavatula L. V.} } @article {45383, title = {Proteomic study of endothelial dysfunction induced by Ages and its possible role in diabetic cardiovascular complications}, journal = {Journal of Proteomics }, volume = {187}, year = {2018}, month = {SEP}, pages = {69-79}, type = {Article}, abstract = {

Endothelial dysfunction is one of the primary steps in the development of diabetes associated cardiovascular diseases. Hyperglycemic condition in diabetes promotes accumulation of advanced glycation end products (AGEs) in the plasma, that interact with the receptor for AGEs (RAGE) present on the endothelial cells and negatively affect their function. Using Human umbilical vascular endothelial cells (HUVECs) in culture, the effect of glycated human serum albumin on global proteomic changes was studied by SWATH-MS, a label free quantitative proteomic approach. Out of the 1860 proteins identified, 161 showed higher abundance while 123 showed lesser abundance in cells treated with glycated HSA. Bioinformatic analysis revealed that the differentially regulated proteins were involved in various processes such as apoptosis, oxidative stress etc. that are associated with endothelial dysfunction. Furthermore, the iRegulon analysis and immunofuorescence studies indicated that several of the differentially regulated proteins were transcriptionally regulated by NF-kappa B, that is downstream to AGE-RAGE axis. Some of the important differentially regulated proteins include ICAM1, vWF, PAI-1 that affect important endothelial functions like cell adhesion and blood coagulation. qPCR analysis showed an increase in expression of the AGE receptor RAGE along with other genes involved in endothelial function. AGE treatment to HUVEC cells led to increased oxidative stress and apoptosis. This is the first proteomics study that provides insight into proteomic changes downstream to AGE-RAGE axis leading to endothelial dysfunction and predisposing to cardiovascular complications. Significance: Cardiovascular disease (CVD) is a major pathological outcome in diabetic patients and it is important to address ways that target its development before the onset. Elevated plasma AGEs in diabetes can affect endothelial function and can continue to show their effects even after blood glucose levels are back to normal. Since endothelial dysfunction acts as one of the initiating factors for the development of CVD, understanding how AGEs affect the endothelial cell proteome to cause dysfunction will provide insight into the mechanisms involved and aid designing new therapeutic approaches.

}, doi = {10.1016/j.jprot.2018.06.009}, author = {Banarjee, Reema and Sharma, Akshay and Bai, Shakuntala and Deshmukh, Arati and Kulkarni, Mahesh J.} } @article {44215, title = {Pt - g-C3N4 - (Au/TiO2): electronically integrated nanocomposite for solar hydrogen generation}, journal = {International Journal of Hydrogen Energy}, volume = {43}, year = {2018}, month = {JAN}, pages = {601-613}, type = {Article}, abstract = {

A potential nanocomposite photocatalyst was designed by integrating Pt nanoclusters (co catalyst and electron sink) with graphitic carbon nitride (g-C3N4 (gcn)) (charge diffusion) and 0.5 wt \% Au containing Au-TiO2 (AuT) (plasmonic on semiconductor) for solar water splitting (SWS). Variety of Pt-gcn-AuTiO2 compositions has been evaluated for SWS under one sun conditions. Complexity of the photocatalyst was increased systematically from Au-TiO2, gcn-TiO2 to Pt-gcn-Au-TiO2 to explore the influence of different combinations. Electronic integration of charge separation/diffusion component (gcn) with light absorbing sensitizer components (Au and gcn), and co-catalyst (Pt) seems to be the critical factor to improve hydrogen yield (HY) or overall efficiency. Although addition of gcn increase the HY of composites, there is no SWS activity observed on bare TiO2 or gcn. Au or Pt on gcn enhances the charge separation effectively and interface between Au and/or Pt with gcn works as the Schottky barrier. A monodispersion of Au over TiO2 and Pt nanoclusters over gcn/AuTiO2 composite lead to the maximum solar hydrogen yield (1.52 mmol/h g) with an apparent quantum yield (AQY) of 7.5\%. Photoelectron and photoluminescence spectral studies confirm the electron transfer from Au to gcn, and Au and/or gcn to titania. A thorough physico-chemical investigation of various composites underscores the electronic integration aspects of the nanocomposite towards storage of electrons in the Pt co-catalyst and hence an effective charge separation and an increase in AQY. (C) 2017 Hydrogen Energy Publications LLC. Published by Elsevier Ltd. All rights reserved.

}, keywords = {Electronic integration, Photocatalysis, Schottky barrier, Solar hydrogen, water splitting}, issn = {0360-3199}, doi = {10.1016/j.ijhydene.2017.11.057}, author = {Devaraji, Perumal and Gopinath, Chinnakonda S.} } @article {45436, title = { Rational design of coumarin derivatives as antituberculosis agents}, journal = {Future Medicinal Chemistry}, volume = {10}, year = {2018}, month = {OCT}, pages = {2431-2444}, type = {Article}, abstract = {A series of coumarin derivatives was designed as potential antituberculosis agents. Results: The compounds were screened against active and dormant Mycobacterium tuberculosis (Mtb). Compounds 3k and 3n were found to have the most promising activity against replicating MtbH37Rv exhibiting minimum inhibitory concentration of 4.63 and 9.75 mu M respectively. The compounds were also effective against dormant MtbH37Rv exhibiting more potency than the standard drugs, isoniazid and rifampicin. The compounds were found to be non-cytotoxic against human cell lines. Conclusion: This study provides promising antituberculosis agents that are effective against replicating as well as dormant Mtb and can thus act as potential leads for further development. }, issn = {1756-8919}, doi = {10.4155/fmc-2018-0015}, author = {Mali, Hemlata M. and Sabale, Sandip S. and Degani, Mariam S. and Borkute, Rachana and Choudhari, Amit S. and Sarkar, Dhiman and Krishna, Vagolu Siva and Sriram, Dharmarajan} } @article {44239, title = {Reaction engineering for continuous production of silver nanoparticles}, journal = {Chemical Engineering \& Technology}, volume = {41}, year = {2018}, month = {JAN}, pages = {157-167}, type = {Article}, abstract = {

A scalable process for the production of silver nanoparticles that allows for complete conversion of the limiting reactant is analyzed in detail. The kinetics of silver nanoparticle synthesis using citrate reduction are investigated and used for development of a reaction engineering model to facilitate the reactor design. The effect of temperature, pH, concentration and mixing (axial dispersion) on the rates of nucleation and growth are analyzed quantitatively. An approach that considers reaction kinetics coupled with quality of dispersion is developed for reactor design as well as selection of reactor configurations for the synthesis of specific particle sizes. The developed approach has been applied for continuous production of 10-L suspension silver nanoparticles with very narrow particle size distribution.

}, keywords = {kinetics, particle size distribution, rate constant, Reactor design, Silver nanoparticle production}, issn = {0930-7516}, doi = {10.1002/ceat.201700035}, author = {Deshpande, Javdeep B. and Kulkarni, Amol A.} } @article {44643, title = {Repeated photoporation with graphene quantum dots enables homogeneous labeling of live cells with extrinsic markers for fluorescence microscopy}, journal = {Light-Science \& Applications}, volume = {7}, year = {2018}, month = {AUG}, pages = {47}, abstract = {

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

}, issn = {2047-7538}, doi = {10.1038/s41377-018-0048-3}, author = {Liu, Jing and Xiong, Ranhua and Brans, Toon and Lippens, Saskia and Parthoens, Eef and Zanacchi, Francesca Cella and Magrassi, Raffaella and Singh, Santosh K. and Kurungot, Sreekumar and Szunerits, Sabine and Bove, Hannelore and Ameloot, Marcel and Fraire, Juan C. and Teirlinck, Eline and Samal, Sangram Keshari and De Rycke, Riet and Houthaeve, Gaelle and De Smedt, Stefaan C. and Boukherroub, Rabah and Braeckmans, Kevin} } @article {44336, title = {Sensitizing with short conjugated molecules: multimodal anchoring on ZnO nanoparticles for enhanced electron transfer characteristics, stability and H-2 evolution}, journal = {Catalysis Today}, volume = {309}, year = {2018}, month = {JUL}, pages = {89-97}, type = {Article}, abstract = {Sensitizing semiconductors with organic dyes is usually employed to improve efficiency of semiconductors towards visible light absorption and charge transport. However, till date most of the dyes are either noble metal based with complex and expensive synthesis procedure or have a very narrow absorption band. Further the photostability of the dyes is another important issue. In this work we have studied, using a combination of photophysical and computational methods, ZnO nanoparticles sensitized with transition metal free, cheap and easy to synthesize azoquinoline dye that has been designed to have multiple chelating sites, viz., carboxylic group and hydroxyl imine group as a photocatalyst for water splitting activity. We find that the presence of multiple chelating sites facilitates dual mode of anchoring on ZnO nanoparticles, which leads to enhanced photostability and H-2 generation of the composite. This is attributed to the incorporation of resonance features in the dye that increases electron transfer between ZnO and dye in contrast to the charge accumulation and photo degradation observed in non-conjugated and single site anchoring counterparts. Electron transfer from ZnO to dye under UV light and reverse in visible light could be identified experimentally. Such simple designing aspects can aid in identifying better catalysts for photocatalytic water splitting.}, doi = {10.1016/j.cattod.2017.09.052}, author = {George, Leena and Sappati, Subrahmanyam and Ghosh, Prasenjit and Devi, R. Nandini} } @article {44622, title = {Silk cocoon as counter - electrode substrate in dye - sensitized solar cells}, journal = {ChemistrySelect}, volume = {3}, year = {2018}, month = {JUL}, pages = {7195-7199}, abstract = {

Electrodes are vital components of energy conversion devices such as dye sensitized solar cells (DSSCs). The widely used electrodes consist of fluorine doped tin oxide (FTO) and platinum. We were interested in identifying a substrate that is available from natural resources and exhibit performance comparable to that of Pt coated FTO (Pt-FTO). Silk fibers are naturally available and they are mechanically stable. The woven silk fibers are known as silk cocoons (SCs) that structurally resemble widely used carbon paper electrodes. To impart conductivity to the insulating SCs, metal film was coated by an electroless metal plating procedure using polyphenols from green tea. The metal coated SCs were conformaly coated with a conjugated polymer and these electrodes were used as flexible electrodes in DSSCs. The flexible electrode based DSSCs exhibited a power conversion efficiency of 7.2\% which is comparable to that of the DSSCs with rigid Pt-FTO based devices (7.4\%).

}, keywords = {counter electrode, PEDOT-G-SCs, Recombination, Silk cocoons (SCs)}, issn = {2365-6549}, doi = {10.1002/slct.201800856}, author = {Sudhakar, Vediappan and Das, Chayanika and Krishnamoorthy, Kothandam} } @article {44380, title = {Silk fibroin micro-particle scaffolds with superior compression modulus and slow bioresorption for effective bone regeneration}, journal = {Scientific Reports}, volume = {8}, year = {2018}, month = {MAY}, pages = {Article Number: 7235}, abstract = {Silk fibroin (SF), a natural polymer produced by Bombyx mori silkworms, has been extensively explored to prepare porous scaffolds for tissue engineering applications. Here, we demonstrate, a scaffold made of SF, which exhibits compression modulus comparable to natural cancellous bone while retaining the appropriate porosities and interconnected pore architecture. The scaffolds also exhibit high resistance to in-vitro proteolytic degradation due to the dominant beta sheet conformation of the SF protein. Additionally, the scaffolds are prepared using a simple method of microparticle aggregation. We also demonstrate, for the first time, a method to prepare SF micro-particles using a Hexafluoroisopropanol-Methanol solvent-coagulant combination. SF microparticles obtained using this method are monodisperse, spherical, non-porous and extremely crystalline. These micro-particles have been further aggregated together to form a 3D scaffold. The aggregation is achieved by random packing of these microparticles and fusing them together using a dilute SF solution. Preliminary in-vitro cell culture and in-vivo implantation studies demonstrate that the scaffolds are biocompatible and they exhibit the appropriate early markers, making them promising candidates for bone regeneration.}, doi = {10.1038/s41598-018-25643-x}, author = {Nisal, Anuya and Sayyad, Raeesa and Dhavale, Prachi and Khude, Bhakti and Deshpande, Rucha and Mapare, Vidhyashri and Shukla, Swati and Venugopalan, Premnath} } @article {44381, title = {Single pot selective hydrogenation of furfural to 2-methylfuran over carbon supported iridium catalysts}, journal = {Green Chemistry}, volume = {20}, year = {2018}, month = {MAY}, pages = {2027-2037}, abstract = {Various iridium supported carbon catalysts were prepared and screened for the direct hydrogenation of furfural (FFR) to 2-methyl furan (2-MF). Amongst these, 5\% Ir/C showed excellent results with complete FFR conversion and highest selectivity of 95\% to 2-MF at a very low H-2 pressure of 100 psig. Metallic (Ir degrees) and oxide (IrO2) phases of Ir catalyzed the first step hydrogenation involving FFR to FAL and subsequent hydrogenation to 2-MF, respectively. This was confirmed by XPS analysis and some control experiments. At a low temperature of 140 degrees C, almost equal selectivities of FAL (42\%) and 2-MF (43\%) were observed, while the higher temperature (220 degrees C) favored selective hydrodeoxygenation. At optimized temperature, 2-MF was formed selectively while higher pressure and higher catalyst loading favored ring hydrogenation of furfural rather than side chain hydrogenation. With the combination of several control experimental results and detailed catalyst characterization, a plausible reaction pathway has been proposed for the selective formation of 2-MF. The selectivity to various other products in FFR hydrogenation can be manipulated by tailoring the reaction conditions over the same catalyst.}, doi = {10.1039/c8gc00284c}, author = {Date, Nandan S. and Hengne, Amol M. and Huang, K-W. and Chikate, Rajeev C. and Rode, Chandrashekhar V.} } @article {45458, title = {Single-pot reductive rearrangement of furfural to cyclopentanone over silica-supported Pd catalysts}, journal = {ACS Omega}, volume = {3}, year = {2018}, month = {AUG}, pages = {9860-9871}, type = {Article}, abstract = {

Direct one-pot hydrogenation of furfural (FFR) to cyclopentanone (CPO) was investigated over different silica-supported Pd catalysts. Among these, 4\% Pd on fumed silica (4\%Pd/f-SiO2) showed remarkable results, achieving almost 98\% furfural (FFR) conversion with similar to 89\% selectivity and 87\% yield to cyclopentanone at 165 degrees C and 500 psig H-2 pressure. More interestingly, the fumed-silica-supported catalyst tuned the selectivity toward the rearrangement product, i.e, cyclopentanone, whereas all of the other supports were found to give ring hydrogenation as well as side chain hydrogenation products due to their parent Bronsted acidity and specific support properties. X-ray diffraction data revealed the presence of different phases of the face-centered cubic lattice of metallic Pd along with lowest crystallite size of 15.6 nm in the case of the silica-supported Pd catalyst. However, Pd particle size was found to be in the range of 5-13 nm with even dispersion over the silica support, confirmed by high-resolution transmission electron microscopy analysis. While studying the effect of reaction parameters, it was observed that lower temperature gave low furfural conversion of 58\% with only 51\% CPO selectivity.. Similarly, higher H-2 pressure lowered CPO selectivity with subsequent increase in 2-methyl furan and ring hydrogenation product 2-methyl furan and 2-methyl tetrahydrofuran. Thus, as per the requirement, the product selectivity can be tuned by varying the type of support and/or the reaction parameters suitably. With the help of several control experiments and the characterization data, a plausible reaction pathway was proposed for the selective formation of cyclopentanone.

}, issn = {2470-1343}, doi = {10.1021/acsomega.8b00980}, author = {Date, Nandan S. and Kondawar, Sharda E. and Chikate, Rajeev C. and Rode, Chandrashekhar V.} } @article {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 {44231, title = {Spreading dynamics of superposed liquid drops on a spinning disk}, journal = {Physics of Fluids}, volume = {30}, year = {2018}, month = {JAN}, pages = {012110}, type = {Article}, abstract = {

We have experimentally studied simultaneous spreading of superposed drops of two Newtonian liquids on top of a horizontal spinning disk using the flow visualization technique. An inner drop of high surface tension liquid is placed centrally on the disk followed by a drop of outer liquid (lower surface tension) placed exactly above that. The disk is then rotated at a desired speed for a range of volume ratios of two liquids. Such an arrangement of two superposed liquid drops does not affect the spreading behavior of the outer liquid but influences that of the inner liquid significantly. The drop spreads to a larger extent and breaks into more fingers (Nf) as compared to the case where the same liquid is spreading in the absence of outer liquid. The experimentally observed number of fingers is compared with the prediction using available theory for single liquid. It is found that the theory over-predicts the value of Nf for the inner liquid while it is covered by an outer liquid. We provide a theoretical justification for this observation using linear stability analysis. Our analysis demonstrates that for small but finite surface tension ratio of the two liquids, the presence of the outer interface reduces the value of the most unstable wave number which is equivalent to the decrease in the number of fingers observed experimentally. Finally, sustained rotation of the disk leads to the formation of droplets at the tip of the fingers traveling outwards. Published by AIP Publishing.

}, issn = {1070-6631}, doi = {10.1063/1.5002601}, author = {Sahoo, Subhadarshinee and Orpe, Ashish V. and Doshi, Pankaj} } @article {44567, title = {Steering the ester and gamma-valerolactone selectivities in levulinic acid hydrogenation}, journal = {Energy Fuels}, volume = {32 }, year = {2018}, month = {JUN}, pages = {6887{\textendash}6900}, type = {Journal Article}, abstract = {

Both alkyl esters and γ-valerolactone (GVL) derived from levulinic acid (LA) have applications as renewable transportation fuel/fuel additives. Non-noble metal cobalt supported on La2O3 catalyst was developed for efficient cascade LA hydrogenation to GVL via esterification. LA hydrogenation in methanol alone yielded methyl levulinate (MeLA) as a major product along with 43\% of GVL. Interestingly, hydrogenation in water gave almost complete selectivity to GVL; nevertheless, it was associated with significant metal leaching. Suppression of metal leaching and enhancement in selectivity to GVL could be achieved by a methanol/water (95:5) solvent system. XRD analysis of La2O3-supported catalysts evidenced the characteristic peaks of a mixture of La2O3 and La(OH)3 phases. Basicity, as well as acidity, of the catalyst as determined by CO2 and NH3 TPD was due to these La2O3, Co{\textendash}La, and La(OH)3 phases which played an important role in directing the product selectivity in levulinic acid hydrogenation. At the low temperature of 160 {\textdegree}C, almost equal selectivities of MeLA (47\%) and GVL (43\%) were observed, while higher temperature (200 {\textdegree}C) favored further hydrogenation of MeLA to GVL (75\%). Similarly, with an increase in reaction time to 9 h, the GVL selectivity achieved was as high as 80\%. The selectivity to MeLA and GVL in LA hydrogenation over Co/La2O3 catalyst can be altered by suitably adjusting the reaction conditions.

}, doi = {10.1021/acs.energyfuels.8b01263}, author = {Kasar, Gayatri B. and Date, Nandan S. and Bhosale, P. N. and Rode, Chandrashekhar V.} } @article {44186, title = {Streptomyces sp metabolite(s) promotes Bax mediated intrinsic apoptosis and autophagy involving inhibition of mTOR pathway in cervical cancer cell lines}, journal = {Scientific Reports}, volume = {8}, year = {2018}, month = {FEB}, pages = {2810}, type = {Article}, abstract = {

In cervical cancer, the association between HPV infection and dysregulation of phosphoinositide 3-kinase (PI3K)/protein kinase B (AKT)/mammalian target of rapamycin (mTOR) pathway (PI3K/AKT/mTOR pathway) places mTOR as an attractive therapeutic target. The failure of current treatment modalities in advanced stages of this cancer and drawbacks of already available mTOR inhibitors demand for novel drug candidates. In the present study we identified the presence of a mTOR inhibitor in an active fraction of the ethyl acetate extract of Streptomyces sp OA293. The metabolites(s) in the active fraction completely inhibited mTORC1 and thereby suppressed activation of both of its downstream targets, 4E-BP1 and P70S6k, in cervical cancer cells. In addition, it also stalled Akt activation via inhibition of mTORC2. The mechanism of mTOR inhibition detailed in our study overcomes significant drawbacks of well known mTOR inhibitors such as rapamycin and rapalogs. The active fraction induced autophagy and Bax mediated apoptosis suggesting that mTOR inhibition resulted in programmed cell death of cancer cells. The molecular weight determination of the components in active fraction confirmed the absence of any previously known natural mTOR inhibitor. This is the first report of complete mTOR complex inhibition by a product derived from microbial source.

}, issn = {2045-2322}, doi = {10.1038/s41598-018-21249-5}, author = {Dan, Vipin Mohan and Muralikrishnan, Balaji and Sanawar, Rahul and Vinodh, J. S. and Burkul, Bhushan Bapusaheb and Srinivas, Kalanghad Puthankalam and Lekshmi, Asha and Pradeep, N. S. and Dastager, Syed G. and Santhakumari, B. and Santhoshkumar, Thankayyan R. and Kumar, R. Ajay and Pillai, Madhavan Radhakrishna} } @article {44566, title = {Structural and functional analysis of UGT92G6 suggests an evolutionary link between mono- and disaccharide glycoside-forming transferases}, journal = {Plant and Cell Physiology}, volume = {59}, year = {2018}, month = {APR }, pages = { 862{\textendash}875}, type = {Journal Article}, abstract = {

Glycosylation mediated by UDP-dependent glycosyltransferase (UGT) is one of the most common reactions for the biosynthesis of small molecule glycosides. As glycosides have various biological roles, we characterized UGT genes from grapevine (Vitis vinifera). In silico analysis of VvUGT genes that were highly expressed in leaves identified UGT92G6 which showed sequence similarity to both monosaccharide and disaccharide glucoside-forming transferases. The recombinant UGT92G6 glucosylated phenolics, among them caffeic acid, carvacrol, eugenol and raspberry ketone, and also accepted geranyl glucoside and citronellyl glucoside. Thus, UGT92G6 formed mono- and diglucosides in vitro from distinct compounds. The enzyme specificity constant Vmax/Km ratios indicated that UGT92G6 exhibited the highest specificity towards caffeic acid, producing almost equal amounts of the 3- and 4-O-glucoside. Transient overexpression of UGT92G6 in Nicotiana benthamiana leaves confirmed the production of caffeoyl glucoside; however, the level of geranyl diglucoside was not elevated upon overexpression of UGT92G6, even after co-expression of genes encoding geraniol synthase and geraniol UGT to provide sufficient precursor. Comparative sequence and 3-D structure analysis identified a sequence motif characteristic for monoglucoside-forming UGTs in UGT92G6, suggesting an evolutionary link between mono- and disaccharide glycoside UGTs. Thus, UGT92G6 functions as a mono- and diglucosyltransferase in vitro, but acts as a caffeoyl glucoside UGT in N. benthamiana.

}, issn = {320781}, doi = { 10.1093/pcp/pcy028}, author = {Huang, Fong-Chin and Giri, Ashok and Daniilidis, Melina and Sun, Guangxin and H{\"a}rtl, Katja and Hoffmann, Thomas and Schwab, Wilfried} } @article {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 {44545, title = {Study the effect of impact angle on slurry erosion wear of four different ductile materials}, journal = {Materials Today: Proceedings}, volume = {5}, year = {2018}, month = {APR }, pages = { 7561-7570}, type = {Journal Article}, abstract = {

The test rig fabricated for the present work has an ability to study the effect of orientation angle of erosion wear. The particles of Indian Standard sand (Quartz) selected as erodent for the present investigation because it is the most widely occurs in natural slurries. Experimental investigations on erosion behavior of ductile materials AISI SS304, AA 6063, Copper and Brass have been carried out using solid-water mixtures of the above erodent. The erosion wear due to solid-liquid mixture of IS Sand and tap water at different impact angles shows typical ductile erosion behavior for the selected materials. The maximum erosion is observed at 22.5{\textdegree} angle for AISI SS 304, 45o for AA 6063, 22.5o for Copper and 30o for Brass. The minimum erosion is observed at 90o orientation angle for all the materials. The eroded specimens were examined under the Scanning Electron Microscope (SEM) at minimum and maximum wear orientation angles. The SEM micrographs of eroded specimens depict the mechanism of material removal.

}, keywords = {AA 6063, AISI SS304, brass, Copper, Quart, SEM, Slurry erosion}, issn = {22147853}, doi = {10.1016/j.matpr.2017.11.428}, author = {Nandre, Bhushan D. and Desale, Girish R.} } @article {44542, title = {Substituent-induced deformed ni{\textendash}porphyrin as an electrocatalyst for the electrochemical conversion of water into dioxygen}, journal = {European Journal of Inorganic Chemistry}, volume = {14}, year = {2018}, month = {APR}, pages = {1549-1555}, type = {Article}, abstract = {

The electrochemical water oxidation ability of complexes 5,15-diphenylporphinatonickel(II) (A) and 5,15-bis(3,5-di-tert-butylphenyl)porphinatonickel(II) (B) in the oxygen evolution reaction (OER) have been investigated in an alkaline medium. Complex B was found to be kinetically and thermodynamically more active than complex A. The overpotential and Tafel slope of complex B are lower than those of complex A by 30 mV and around 45 mV/decade, respectively, which supports the higher activity of B. Moreover, stability tests endorse the sustainability of both samples under alkaline conditions. It has been found that the 3,5-di-tert-butylphenyl substituent in B plays a decisive role in achieving a better OER onset potential and current than that obtained with A, which is a result of the modulation of the structural parameters of B. Furthermore, the measured OER activities of A and B have been correlated with their molecular arrangement as well as differences in their bonding characteristics and dipole moments. For further insight, the obtained results have been confirmed by a theoretical study.

}, issn = {14341948}, doi = {10.1002/ejic.201701427}, author = {Krishna, J. V. S. and Krishna, Narra Vamsi and Singh, Santosh K. and Shaw, Pankaj K. and Dhavale, Vishal M. and Vardhaman, Anil Kumar and Giribabu, Lingamallu} } @article {44161, title = {Sucrose capped gold nanoparticles as a plasmonic chemical sensor based on non-covalent interactions: application for selective detection of vitamins B-1 and B-6 in brown and white rice food samples}, journal = {Food Chemistry}, volume = {250}, year = {2018}, month = {JUN}, pages = {14-21}, type = {Article}, abstract = {

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

}, doi = {10.1016/j.foodchem.2018.01.002}, author = {Shrivas, Kamlesh and Nirmalkar, Nidhi and Thakur, Santosh Singh and Deb, Manas Kanti and Shinde, Sandip S. and Shankar, Ravi} } @article {44512, title = {Synthesis and biological evaluation of novel triazole-biscoumarin conjugates as potential antitubercular and anti-oxidant agents}, journal = {Research on Chemical Intermediates}, volume = {44}, year = {2018}, month = {MAY}, pages = {1-28}, type = {Journal Article}, abstract = {

The synthesis of a new series of triazole-biscoumarin conjugates by using a molecular hybridization approach is described. The newly synthesized compounds 6a{\textendash}k were evaluated for their in vitro antitubercular activity against active and dormant Mtb H37Ra and anti-oxidant activity against DPPH radical scavenging. Molecular docking simulations for the antitubercular activity showed that the conjugates 6a{\textendash}k bind in the pocket of the DprE1 enzyme. Most of the conjugates displayed good antitubercular activity against both the active and dormant Mtb H37Ra strain. The compound 6h displayed very good antitubercular activity against dormant Mtb H37Ra with an IC50 value of 1.44 μg/mL. Most of the synthesized conjugates exhibit excellent anti-oxidant activity with an IC50 of less than the standard BHT. Compound 6b is the most active among all the conjugates with an IC50 value of 08.17 {\textpm} 0.11 μg/mL. The molecular docking study shows good agreement between the observed antitubercular activity and the binding affinity.

}, keywords = {1, 2, 3-triazoles, Anti-oxidant activity, Antitubercular activity, Biscoumarins, Molecular docking}, issn = {9226168}, doi = {10.1007/s11164-018-3490-1}, author = {Danne, Ashruba B.}, editor = {Choudhari, Amit S.} } @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 {44500, title = {Synthesis of novel alpha-aminophosphonate derivatives, biological evaluation as potent antiproliferative agents and molecular docking}, journal = {ChemistrySelect}, volume = {3}, year = {2018}, month = {MAY}, pages = {5552-5558}, type = {Journal Article}, abstract = {

A series of novel fluorine containing α-aminophosphonate derivatives (4 a{\textendash}4 q) were synthesized in excellent yield and high purity. All these novel Fluorinated α-aminophosphonate compounds were screened for antiproliferative and apoptosis activity on human non small cell lung carcinoma cells (A549) and human skin melanoma cells (SK-MEL-2). Compounds 4 a, 4 b, 4 c, 4 f, 4 i, 4 j and 4 m were found to be more active antiproliferative agent against A549 and SK-MEL-2 cells with IC50 value 0.22 to 1.25 μM. Molecular docking study related to binding affinity and binding mode analysis showed that synthesized compounds had potential to inhibit human Topoisomerase IIa enzyme system. Flow cytometric study showed some of these derivatives also induced cell apoptosis and arrest cell cycle at G1 and at G2/M phase. Overall, this study provides future perspective of lead candidate for the future anticancer drug discovery initiatives.

}, issn = {23656549}, doi = {10.1002/slct.201800798}, author = {Deshmukh, Satish U.}, editor = {Kharat, Kiran R.} } @article {45379, title = { Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals}, journal = {IUCrJ}, volume = {5}, year = {2018}, month = {NOV}, pages = {816-822}, type = {Article}, abstract = {The single-crystal X-ray structure of a 6-component organic-salt alloy (hexanary) of naftopidil (1) (an active pharmaceutical ingredient) with benzoic acid (2) and four different hydroxy-substituted benzoic acids, i.e. salicylic acid (3), 2,3-dihydroxybenzoic acid (4), 2,4-dihydroxybenzoic acid (5) and 2,6-dihydroxybenzoic acid (6), is reported. The hexanary assembly originates from the observation that the binary salts of naftopidil with the above acids are isostructural. In addition to the 6-component solid, we also describe five 5-component, ten 4-component, and ten 3-component organic-salt alloys of naftopidil (1) with carboxylic acids (2)-(6). These alloys were obtained from different combinations of the acids with the drug. The synthetic design of the multicomponent organic alloys is based on the rationale of geometrical factors (shape and size) and chemical interactions (hydrogen bonds). The common supramolecular synthon in all these crystal structures was the cyclic N+ - H center dot center dot center dot O- and O-H center dot center dot center dot O hydrogen-bonded motif of R-2(2) (9) graph set between the 2-hydroxyammonium group of naftopidil and the carboxylate anion. This ionic synthon is strong and robust, directing the isostructural assembly of naftopidil with up to five different carboxylic acids in the crystal structure together with the lower-level multicomponent adducts. Solution crystallization by slow evaporation provided the multicomponent organic salts and alloys which were characterized by a combination of single-crystal X-ray diffraction, powder X-ray diffraction, NMR and differential scanning calorimetry techniques.}, issn = { 2052-2525}, doi = { 10.1107/S2052252518014057}, author = {Dandela, Rambabu and Tothadi, Srinu and Marelli, Udaya Kiran and Nangia, Ashwini} } @article {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 {44592, title = {Ti-doped Pd-Au catalysts for one-pot hydrogenation and ring opening of furfural}, journal = {Catalysts}, volume = {8}, year = {2018}, month = {JUN}, pages = {252}, abstract = {

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

}, keywords = {Bimetallic catalyst, furfural, Hydrogenation, ring-opening}, issn = {2073-4344}, doi = {10.3390/catal8060252}, author = {Date, Nandan Shreehari and La Parola, Valeria and Rode, Chandrashekhar Vasant and Testa, Maria Luisa} } @article {45380, title = {Total synthesis of an anticancer natural product (+/-)-peharmaline A and its analogues}, journal = { European Journal of Organic Chemistry}, year = {2018}, month = {DEC}, pages = {6453-6456}, type = {Article}, abstract = {

First total synthesis of a rare beta-carboline-vasicinone hybrid alkaloid (+/-)-peharmaline A has been accomplished in just 3 steps starting from known compounds. Stereoselective Pictet-Spengler reaction to nitrogenated tertiary carbon center and one-pot construction of the tricyclic skeleton of vasicinone are the highlights of present synthesis. We have also synthesized structurally close analogues of the natural product by following the developed route.

}, issn = {1434-193X}, doi = {10.1002/ejoc.201800949}, author = {Kulkarni, Akshay S. and Shingare, Rahul D. and Dandela, Rambabu and Reddy, D. Srinivasa} } @article {45414, title = { Total synthesis of notoryne}, journal = {Journal of Organic Chemistry}, volume = {83}, year = {2018}, month = {OCT}, pages = {12863-12868}, type = {Article}, abstract = {The structure of notoryne comprises a halogenated 2,2{\textquoteright}-bifuranyl moiety along with a terminal cis-enyne unit. In this work, we document the first total synthesis of notoryne, confirming its assigned relative and absolute configurations. The devised route comprises a glucose diacetonide-derived chiral pool intermediate as the starting point and 5-endo bromo-etherification for making the key bis-furan unit, anomeric C-allylation, as well as a relay cross-metathesis to install the cis-enyne unit.}, issn = {0022-3263}, doi = {10.1021/acs.joc.8b01757}, author = {Senapati, Sibadatta and Das, Shyamsundar and Ramana, Chepuri V.} } @article {45351, title = {Total synthesis of (+)-trans- dihydronarciclasine from (+)-7-azabicyclo[2.2.1]heptanone}, journal = {Tetrahedron }, volume = {74}, year = {2018}, month = {SEP}, pages = {5752-5757}, type = {Article}, abstract = {

A concise asymmetric total synthesis of Amaryllidaceae alkaloid (+)-trans-dihydronarciclasine is accomplished starting from optically pure 7-azabicyclo[2.2.1]heptanone scaffold in 13 linear steps. Key features of the strategy include substrate-directed stereoselective installation of the trans B-C ring junction and regioselective Wacker-type internal olefin oxidation to provide a rapid access to all hydroxyl functionalities over the key cyclohexane ring in a stereocontrolled manner. (C) 2018 Elsevier Ltd. All rights reserved.

}, doi = {10.1016/j.tet.2018.08.016}, author = {Pandey, Ganesh and Fernandes, Rushil and Dey, Debasis and Majumder, Binoy} } @article {44183, title = {Tracking HOCl concentrations across cellular organelles in real time using a super resolution microscopy probe}, journal = {Chemical Communications}, volume = {54}, year = {2018}, month = {FEB}, pages = {1849-1852}, type = {Article}, abstract = {

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

}, issn = {1359-7345}, doi = {10.1039/c7cc09433g}, author = {Ali, Firoj and Aute, Sunil and Sreedharan, Sreejesh and Anila, H. A. and Saeed, Hiwa K. and Smythe, Carl G. and Thomas, Jim A. and Das, Amitava} } @article {44238, title = {Transition-metal-catalyzed reactions involving arynes}, journal = {Synthesis-Stuttgart}, volume = {50}, year = {2018}, month = {JAN}, pages = {1-16}, type = {Article}, abstract = {

The plethora of transformations attainable by the transition-metal-catalyzed reactions of arynes has found immense contemporary interest in the scientific community. This review highlights the scope and importance of transition-metal-catalyzed aryne reactions in the field of synthetic organic chemistry reported to date. It covers transformations achieved by the combination of arynes and various transition metals, which provide a facile access to a biaryl motif, fused polycyclic aromatic compounds, different novel carbocycles, various heterocycles, and complex natural products. 1 Introduction 2 Insertion of Arynes 3 Annulation of Arynes 4 Cycloaddition of Arynes 5 Multicomponent Reactions of Arynes 6 Miscellaneous Reactions of Arynes 7 Total Synthesis of Natural Products Using Arynes 8 Conclusion

}, keywords = {annulation, arynes, Cycloaddition, Insertion, multicomponent, Natural products, Transition Metal}, issn = {0039-7881}, doi = {10.1055/s-0036-1589517}, author = {Dhokale, Ranjeet A. and Mhaske, Santosh B.} } @article {44625, title = {Triazole-diindolylmethane conjugates as new antitubercular agents: synthesis, bioevaluation, and molecular docking}, journal = {MedChemComm}, volume = {9}, year = {2018}, month = {JUL }, pages = {1114-1130}, abstract = {

We describe the synthesis of novel triazole-incorporated diindolylmethanes (DIMs) using a molecular hybridization approach. The in vitro antitubercular activity of the DIMs against Mycobacterium tuberculosis H37Ra (ATCC 25177) was tested in the active and dormant state. Among all the synthesized conjugates, the compounds 6b, 6f, 6l, 6n, 6q, 6r, and 6s displayed good antitubercular activity against both the active and dormant Mtb H37Ra strain. The compound 6l exhibited good antitubercular activity against dormant Mtb H37Ra with an IC50 value of 1 g mL(-1) and IC90 (MIC) value of 3 g mL(-1). The compounds 6b, 6l, and 6r displayed good antitubercular activity against active Mtb H37Ra with IC50 values of 2.19, 1.52, and 0.22 g mL(-1), respectively. The compounds 6b, 6h, 6l, and 6s displayed more than 70\% inhibition against the Gram-positive Bacillus subtilus strain at 3 g mL(-1). The molecular docking study showed the binding modes of the titled compounds in the active site of the DprE1 enzyme and assisted with elucidating a structural basis for the inhibition of Mycobacteria.

}, issn = {2040-2503}, doi = {10.1039/c8md00055g}, author = {Danne, Ashruba B. and Choudhari, Amit S. and Chakraborty, Shakti and Sarkar, Dhiman and Khedkar, Vijay M. and Shingate, Bapurao B.} } @article {44455, title = {Tris-hydroxymethylaminomethane (THAM): An efficient organocatalyst in diversity-oriented and environmentally benign synthesis of spirochromenes}, journal = {Comptes Rendus Chimie}, volume = {21}, year = {2018}, month = {JUN }, pages = {814-821}, type = {Article}, abstract = {

Tris-hydroxymethylaminomethane has been demonstrated to be an efficient organocatalyst in diversity-oriented synthesis of medicinally prevalent spirochromenes by one-pot, three-component reactions between isatins, malononitrile, and enolizable CH acids like dimedone, 4-hydroxycoumarin, 4-hydroxy-N-methylquinolin-2-one, or in situ generated 2-methylpyrazolon-2-one. Biodegradability and extremely low cost of the catalyst are the noteworthy features of this chromatography-free protocol.

}, keywords = {green chemistry, Multicomponent synthesis, organocatalysis, Spirochromenes, Tris-hydroxymethylaminomethane}, issn = {16310748}, doi = {10.1016/j.crci.2018.05.005}, author = {Khot, Supriya S. and Anbhule, Prashant V. and Desai, Uday V. and Wadgaonkar, Prakash P.} } @article {44450, title = {Tuning of terahertz resonances of pyridyl benzamide derivatives by electronegative atom substitution}, journal = {Journal of Infrared, Millimeter, and Terahertz Waves}, volume = {39}, year = {2018}, month = {JUL}, pages = {636{\textendash}650}, type = {Journal Article}, abstract = {

N-(pyridin-2-yl) benzamide (Ph2AP)-based organic molecules with prominent terahertz (THz) signatures (less than 5 THz) have been synthesized. The THz resonances are tuned by substituting the most electronegative atom, fluorine, at ortho (2F-Ph2AP), meta (3F-Ph2AP), and para (4F-Ph2AP) positions in a Ph2AP molecule. Substitution of fluorine helps in varying the charge distribution of the atoms forming hydrogen bond and hence strength of the hydrogen bond is varied which helps in tuning the THz resonances. The tuning of lower THz resonances of 2F-Ph2AP, 3F-Ph2AP, and 4F-Ph2AP has been explained in terms of compliance constant (relaxed force constant). Four-molecule cluster simulations have been carried out using Gaussian09 software to calculate the compliance constant of the hydrogen bonds. Crystal structure simulations of the above molecules using CRYSTAL14 software have been carried out to understand the origin of THz resonances. It has been observed that THz resonances are shifted to higher frequencies with stronger hydrogen bonds. The study shows that 3F-Ph2AP and 4F-Ph2AP have higher hydrogen bond strength and hence the THz resonances originating due to stretching of intermolecular hydrogen bonds have been shifted to higher frequencies compared to 2F-Ph2AP. The methodology presented here will help in designing novel organic molecules by substituting various electronegative atoms in order to achieve prominent THz resonances.

}, keywords = {Compliance constant, Density functional theory, Ph2AP molecule, Terahertz spectroscopy}, issn = {18666892}, doi = {10.1007/s10762-018-0500-8}, author = {Dash, Jyotirmayee}, editor = {Ray, Shaumik} } @article {44447, title = {Tuning the dimensionality of layered Srn+1Tin-xNixO3n+1 perovskite structures for improved activity in syngas generation}, journal = {Journal of Catalysis}, volume = {360}, year = {2018}, month = {APR }, pages = {27-39}, type = {Journal Article}, abstract = {

Interest in perovskite type oxides is growing due to their versatile catalytic applications. A series of Ruddlesden-Popper (RP) type layered perovskite oxides Srn+1Tin-xNixO3n+1 were prepared and evaluated for their catalytic activity in steam reforming, CO2 reforming and bi-reforming of methane. These materials, prepared through citrate gel method were characterized to understand their structure and Ni reducibility. Substitution of Ni in RP phases was established through refinement of XRD powder pattern. During methane reforming, the catalytic activity increased with the order of RP phase of SrTi1-xNixO3-δ (n = $\infty$). TPR results show variation in Ni reducibility with the order of RP phase, while TPD-O2 study helped to estimate oxygen vacancies. These vacancies seem to influence catalytic activity during methane reforming. Transient pulse experiments show that CO2 dissociates over oxygen vacancies to give CO and oxygen, with later replenishing lattice oxygen in SrTi0.8Ni0.2O3-δ (n = $\infty$) phases. Highly labile oxygen vacancies generated in the bulk of SrTi0.8Ni0.2O3-δ must be migrating to the surface, helping in the removal of coke formed. Characterization of catalysts after reaction helped in better understanding of coke precursors.

}, keywords = {Dry reforming, NickelSyngas, Ruddlesden-Popper (RP) perovskites, Steam reforming}, issn = {219517}, doi = {10.1016/j.jcat.2018.01.015}, author = {Dama, Srikanth}, editor = {Ghodke, Seema} } @article {45374, title = { Twelve-armed hexaphenylbenzene-based giant supramolecular framework for entrapping guest molecules}, journal = {ChemPlusChem}, volume = {83}, year = {2018}, month = {NOV}, pages = {1032-1037}, type = {Article}, abstract = {

Host-guest chemistry is a functional model in supramolecular chemistry for understanding specific process occurring in biological systems. Herein, we describe a rationally designed giant multiarmed hexaphenylbenzene (HPB)-based supramolecular frameworks which encapsulate a variety of guest molecules in the voids of their crystal lattice through the cooperative interplay of multivalency, noncovalent forces and backbone rigidity. In this connection, pseudo-axially substituted twelve-armed hexaphenylbenzene was synthesized and its molecular entrapping nature was studied by varying number of H-bond donor-acceptor sites in the arms. The per-methyl esterified HPB acted as a cavitand to include nonpolar and polar aprotic guests in its crystal structure via C-H center dot center dot center dot pi, C-H center dot center dot center dot O and C-H center dot center dot center dot N interactions. The corresponding amidated HPB showed unprecedented inclusion of ammonia and segregation of the guest molecules according to their polarity in the lattice. Furthermore, this molecular entrapping system has been used to obtain the crystal structure of a hitherto unproven 2-azaallenium intermediate, which had been proposed to be involved in aminomethylation of activated arenes.

}, issn = { 2192-6506}, doi = {10.1002/cplu.201800478}, author = {Madhu, Suresh and Gonnade, Rajesh G. and Das, Tamal and Vanka, Kumar and Sanjayan, Gangadhar J.} } @article {44442, title = {Two stereocentered HKR of anti-β,β'-diphenylpropanoxirane and anti-3-phenylethyloxiranes catalysed by Co(III)(salen)-OAc complex: enantioselective synthesis of (+)-sertraline and (+)-naproxen}, journal = {New Journal of Chemistry}, volume = {42}, year = {2018}, month = {May 2018}, pages = {10414-10420}, type = {Journal Article}, abstract = {

The Co(III)(salen)OAc-catalyzed two stereocentered hydrolytic kinetic resolution (HKR) of anti-β,β'-diphenylmethyloxirane and anti-3-phenylethyloxiranes affords the corresponding anti-1,2-diols and oxiranes in high enantiomeric excess. The synthetic potential of this methodology is demonstrated by the enantioselective synthesis of (+)-sertraline, an antidepressant drug, and (+)-naproxen, an anti-inflammatory drug.

}, issn = {11440546}, doi = {10.1039/c8nj01616j}, author = {Kamble, Rohit B.}, editor = {Devalankar, Dattatraya} } @article {45456, title = {Ultrasound assisted synthesis of 4-(Benzyloxy)-N-(3-chloro-2-(substitutedphenyl)-4-oxoazetidin-1-yl) benzamide as challenging anti-tubercular scaffold}, journal = { Molecules}, volume = {23}, year = {2018}, month = {AUG}, pages = {Article No: 1945}, type = {Article}, abstract = {

A series of ten novel derivatives of 4-(benzyloxy)-N-(3-chloro-2-(substituted phenyl)-4-oxoazetidin-1-yl) benzamide 6a-j were synthesized in good yield from the key compound 4-(benzyloxy)-N-(substituted benzylidene) benzo hydrazide, called Schiff {\textquoteleft}s bases 5a-j, by Staudinger reaction ([2 + 2] ketene-imine cycloaddition reaction) with chloro acetyl chloride in the presence of catalyst tri ethylamine and solvent dimethyl formamide (DMF), by using ultra-sonication as one of the green chemistry tools. All the synthesised compounds were evaluated for in vitro anti-tubercular activity against Mycobacterium tuberculosis (MTB) and most of them showed promising activity with an IC50 value of less than 1 mu g/mL. To establish the safety, all the synthesized compounds were further tested for cytotoxicity against the human cancer cell line HeLa and all 6a-j compounds were found to be non-cytotoxic in nature. The molecular docking study was carried out with essential enzyme InhA (FabI/ENR) of Mycobacterium responsible for cell wall synthesis which suggests that 6a and 6e are the most active derivatives of the series. The theoretical evaluation of cell permeability based on Lipinski{\textquoteright}s rule of five has helped to rationalize the biological results and hence the synthesized azetidinone derivatives 6a-j were also analyzed for physicochemical evaluation that is, absorption, distribution, metabolism, excretion, and toxicity (ADMET) properties and the results showed that all the derivatives could comply with essential features required for a potential lead in the anti-tubercular drug discovery process.

}, keywords = {ADMET study, anti-tubercular screening, azetidinone, cytotoxicity study, green chemistry, Molecular docking, ultra-sonication}, issn = {1420-3049}, doi = {10.3390/molecules23081945}, author = {Nimbalkar, Urja D. and Seijas, Julio A. and Borkute, Rachna and Damale, Manoj G. and Sangshetti, Jaiprakash N. and Sarkar, Dhiman and Nikalje, Anna Pratima G.} } @article {45429, title = {Understanding conformational dynamics of complex lipid mixtures relevant to biology}, journal = {Journal of membrane biology}, volume = {251}, year = {2018}, month = {DEC}, pages = {609-631}, type = {Article}, abstract = {This is a perspective article entitled "Frontiers in computational biophysics: understanding conformational dynamics of complex lipid mixtures relevant to biology" which is following a CECAM meeting with the same name.}, issn = {0022-2631 }, doi = {10.1007/s00232-018-0050-y}, author = {Friedman, Ran and Khalid, Syma and Aponte-Santamaria, Camilo and Arutyunova, Elena and Becker, Marlon and Boyd, Kevin J. and Christensen, Mikkel and Coimbra, Joao T. S. and Concilio, Simona and Daday, Csaba and van Eerden, Floris J. and Fernandes, Pedro A. and Graeter, Frauke and Hakobyan, Davit and Heuer, Andreas and Karathanou, Konstantina and Keller, Fabian and Lemieux, M. Joanne and Marrink, Siewert J. and May, Eric R. and Mazumdar, Antara and Naftalin, Richard and Pickholz, Monica and Piotto, Stefano and Pohl, Peter and Quinn, Peter and Ramos, Maria J. and Schiott, Birgit and Sengupta, Durba and Sessa, Lucia and Vanni, Stefano and Zeppelin, Talia and Zoni, Valeria and Bondar, Ana-Nicoleta and Domene, Carmen} } @article {44352, title = {Understanding interactions between lignin and ionic liquids with experimental and theoretical studies during catalytic depolymerisation}, journal = {Catalysis Today}, volume = {309}, year = {2018}, month = {JUL}, pages = {98-108}, type = {Article}, abstract = {Compared to H2SO4, Bronsted acidic ionic liquid (BAIL, [C3SO3HMIM][HSO4]) catalyzed depolymerization of lignin yielded higher concentration of low molecular weight products under mild conditions (120 degrees C) as proven by GC and GC-MS. To comprehend this disparity in catalytic activity among H2SO4 and BAIL (at similar H+ concentration), experimental techniques [1D(H-1) NMR, 2D(N-15/H-1 HMBC) NMR and RAMAN] have been employed. Based on these studies, it has been proven that the transfer of electron density from substrate to the electron deficient imidazolium ring via formation of hydrogen bond between -OH/OCH3 (substrate) and -N1C2H2N3-(cation) is possible, while the anion plays an important role. Further, density functional theory (DFT) calculations also corroborated this fact by showing a change in the bond angle and decrease in bond length (C-2-H-2 in imidazole), due to the presence of weak and strong hydrogen bonding between the substrate and IL.}, doi = {10.1016/j.cattod.2017.09.050}, author = {Singh, Sandip Kumar and Banerjee, Subhrashis and Vanka, Kumar and Dhepe, Paresh Laxmikant} } @article {44439, title = {Untapped bacterial diversity and metabolic potential within Unkeshwar hot springs, India}, journal = {Archives of Microbiology}, volume = {200}, year = {2018}, month = {JUL }, pages = {753-770}, type = {Journal Article}, abstract = {

Hot springs support diverse and interesting groups of microorganisms adapted to extreme conditions and gaining attention in biotechnological applications. However, due to limitations of cultivation methods, a majority of such extremophiles remain uncultivated and unexplored. The advent of multiple cultivation conditions and specialized culture media could possibly aid to access the unexplored microbial portion of hot springs. In the present study, different media and isolation strategies were applied to isolate hitherto unexplored bacterial taxa in the water samples collected from Unkeshwar hot springs, India. Molecular, phylogenetic and predictive functional characterization of the isolated bacterial population was done using 16S rRNA sequencing coupled with Tax4Fun tools. Furthermore, representative isolates were screened for important enzymes (cellulase, xylanase, amylase, and protease) and heavy metal tolerance (chromium, arsenic) properties. A total of 454 bacterial isolates obtained were mapped into 57 unique bacterial genera and 4 different bacterial phyla. Interestingly, 37 genera not previously isolated from Indian hot springs, were isolated for the first time in the present study. However, most of these genera (23 out of 37) were reported only in metagenomics studies from Indian and global hot springs. Furthermore, around 14 genera not previously cultivated and not detected in metagenomics studies of hot springs are documented here. The metabolic potential was ascertained by determining the abundance of specific genes using in silico based Tax4Fun tool, which identified around 315 metabolic pathways for metabolism of carbohydrates, synthesis of secondary metabolites and degradation of xenobiotic compounds. Bioprospection study revealed that 33 and 25 bacterial genera were positive for enzyme production and resistance to the heavy metals, respectively. The present study revealed the advantages of cultivation methods using a comprehensive multiple isolation approach for exploring untapped and unique bacterial diversity, and also utilities for various biotechnological and environmental applications.

}, keywords = {Bacterial diversity, Bioprospecting, Cultivation, Heavy metals, Untapped}, issn = {3028933}, doi = {10.1007/s00203-018-1484-4}, author = {Mehetre, Gajanan T.}, editor = {Shah, Manan} } @article {44207, title = {Water induced morphological transformation of a poly(aryl ether) dendron amphiphile: helical fibers to nanorods, as light-harvesting antenna systems}, journal = {Nanoscale}, volume = {10}, year = {2018}, month = {JAN}, pages = {1464-1473}, type = {Article}, abstract = {

Self-assembly of suitable molecular building blocks is an efficient and convenient approach to generate nanomaterials with various morphologies and functions. Moreover, understanding the nature of molecules and controlling factors of their self-assembly process is crucial in fundamental aspects of molecular self-assembly which provide insights into the design of new assemblies with functional nano-architectures. To this end, the present study reports water induced self-assembled multifaceted morphology formation and the plausible pathway of the morphology transformation of a single poly(aryl ether) dendron amphiphile 1(D). In THF, 1(D) self-assembles into helical fibers. However, with an increase in the water fraction in its THF solution, the morphology changes to nanorods through an intermediate scroll-up pathway of exfoliated fibers. The nanorod formation and transformation of 1(D) are investigated using various microscopy and spectroscopy techniques, which indicate that it has highly ordered multilayered arrays of 1(D) molecules. Finally, these multilayered arrays of 1(D) nanorods are exploited for constructing a model light-harvesting system via the incorporation of small quantities of two newly designed BODIPY based molecules as energy acceptors and 1(D) as an antenna chromophore.

}, issn = {2040-3364}, doi = {10.1039/c7nr07663k}, author = {Maity, Arunava and Dey, Ananta and Gangopadhyay, Monalisa and Das, Amitava} } @article {44425, title = {Water mediated proton conductance in a hydrogen-bonded Ni(II)-bipyridine-glycoluril chloride self-assembled framework}, journal = {CrystEngComm}, volume = {20}, year = {2018}, month = {JAN}, pages = {1094-1100}, type = {Journal Article}, abstract = {

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

}, issn = {14668033}, doi = {10.1039/c7ce01814b}, author = {Tayade, Sakharam B. and Bhat, Satish S. and Illathvalappil, Rajith and Dhavale, Vishal M. and Kawade,Vitthal A. and Kumbhar, Avinash S. and Kurungot, Sreekumar and N{\"a}ther, Christian} } @article {44610, title = {WRKY1 acts as a key component improving resistance against Alternaria solani in wild tomato, Solanum arcanum Peralta}, journal = {Plant Biotechnology Journal }, volume = {16}, year = {2018}, month = {AUG}, pages = {1502-1513}, abstract = {

Early blight (EB), caused by Alternaria solani, is a major threat to global tomato production. In comparison with cultivated tomato (Solanum lycopersicum), a wild relative, S.arcanum exhibits strong resistance against EB. However, molecular cascades operating during EB resistance in wild or cultivated tomato plants are largely obscure. Here, we provide novel insight into spatio-temporal molecular events in S.arcanum against A.solani. Transcriptome and co-expression analysis presented 33-WRKYs as promising candidates of which 12 SaWRKYs displayed differential expression patterns in resistant and susceptible accessions during EB disease progression. Among these, SaWRKY1 exhibited induced expression with significant modulation in xyloglucan endotrans hydrolase 5 (XTH5) and MYB2 expressions that correlated with the disease phenotypes. Electro-mobility shift assay confirmed physical interaction of recombinant SaWRKY1 to SaXTH5 and SaMYB2 promoters. Comparative WRKY1 promoter analysis between resistant and susceptible plants revealed the presence of crucial motifs for defence mechanism exclusively in resistant accession. Additionally, many defence-related genes displayed significant expression variations in both the accessions. Further, WRKY1 overexpressing transgenic plants exhibited higher levels of EB resistance while RNAi silencing lines had increased susceptibility to A.solani with altered expression of XTH5 and MYB2. Overall, these findings demonstrate the positive influence of WRKY1 in improving EB resistance in wild tomato and this could be further utilized as a potential target through genetic engineering to augment protection against A.solani in crop plants.

}, keywords = {Alternaria solani, early blight, Solanum arcanum, Tomato, WRKY1, XTH5}, issn = {1467-7644}, doi = {10.1111/pbi.12892}, author = {Shinde, Balkrishna A. and Dholakia, Bhushan B. and Hussain, Khalid and Aharoni, Asaph and Giri, Ashok P. and Kamble, Avinash C.} } @article {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 {45508, title = {Adsorptive removal of chromium(VI) using spherical resorcinol-formaldehyde beads prepared by inverse suspension polymerization}, journal = { Journal of Polymer Research}, volume = {26}, year = {2019}, month = {JAN }, pages = {41}, type = {Article}, abstract = {

The spherical cross-linked beaded polymers were prepared by condensation of resorcinol and formaldehyde in presence of tri-ethylamine by inverse suspension polymerization technique. The m-cresol, aniline, urea and thiourea were used as co-monomer and polyethylene glycol (PEG 400) was used as porogen. Paraffin oil was used as non-aqueous suspension agent. The polymeric spherical beads were prepared using various types of comonomers exhibiting range of particle size 77.62 to 158.84m at 90 degrees C and 300rpm for 4h. The resulting beads were analyzed by elemental analysis, particle size analysis and scanning electron microscope (SEM). The synthesized beads were used for the removal of Cr(VI) from aqueous solutions. A simple and sensitive solid phase extraction procedure was used for the determination of chromium at trace level by spectrophotometric method using 1,5-diphenylcarbazide reagent. The adsorption of Cr(VI) on the resorcinol-formaldehyde beads was monitored by energy-dispersive X-ray spectroscopy (EDX) analysis. The metal adsorption parameters such as contact time, pH, metal ion concentration and adsorbent dose were investigated. For Cr(VI), the maximum adsorption capacity was about 99\% at pH2 for the resorcinol-formaldehyde beads obtained.

}, keywords = {adsorption kinetics, Beads, Chromium (VI), Formaldehyde, Inverse suspension, Resorcinol}, issn = {1022-9760}, doi = {10.1007/s10965-019-1705-9}, author = {Mulani, Khudbudin and Patil, Vishwanath and Chavan, Nayaku and Donde, Kamini} } @article {46155, title = {Adsorptive removal of strontium(II) using macroporous poly(AGE-co-EGDMA) beads modified with resorcin[4]arene}, journal = {Bulletin of Materials Science}, volume = {42}, year = {2019}, month = {APR}, pages = {UNSP 82}, type = {Article}, abstract = {

Adsorption behaviour of strontium(II) on macroporous poly(allyl glycidyl methacrylate-co-ethylene glycol dimethacrylate) [poly(AGE-co-EGDMA)] beads modified with resorcin[4]arene was studied using macroporous cross-linked [poly(AGE-co-EGDMA)] beads. The macroporous crosslinked [poly(AGE-co-EGDMA)] beads were synthesized by suspension polymerization techniques, followed by functionalization with amino derivatives of resorcin[4]arene. The poly(AGE-co-EGDMA) beads were characterized by FTIR, 1H and 13C-NMR, elemental analysis and particle-size analysis. The surface morphology of beads was studied by scanning electron microscopy. The functionalized poly(AGE-co-EGDMA) beads were used as adsorbents for strontium removal. The crucial factors including the effect of pH, time, initial concentration of metal ions and adsorbent dose were investigated to optimize the maximum adsorption efficiency of Sr(II). The equilibrium data of strontium(II) ions adsorbed on functionalized poly(AGE-co-EGDMA) beads were analysed by pseudo-first- and pseudo-second-order kinetic models. The pseudo-second-order kinetic model indicated that strontium was adsorbed by chemisorption.

}, keywords = {Adsorption, AGE-EGDMA beads, resorcin[4]arene, Sr(II)}, issn = {0250-4707}, doi = {10.1007/s12034-019-1786-4}, author = {Mulani, K. and Patil, V. and Chavan, N. and Donde, K.} } @article {46050, title = {AgQDs employing black box synthetic strategy: photocatalytic and biological behavior}, journal = {Journal of Luminescence}, volume = {212}, year = {2019}, month = {AUG}, pages = {133-140}, type = {Article}, abstract = {

This investigation relates FRET, photocatalytic and a biological study of AgQDs which found to be dependent on particle size and capping agent used. Surface of AgQDs was one of the most important factors that govern its activity. AgQDs with BSA binding was systematically studied by fluorescence quenching and electrostatic interaction. AgQDs mainly interacted to site II of BSA, binding distance r evaluated according to the FRET theory and was 4.6 nm for AgQDs, which suggested transfer of energy (non-radioactive) between surface modified AgQDs and biological molecule BSA. The photocatalytic activity of AgQDs for the appreciable degradation of erythrosine dye using Ultraviolet-B light was investigated. AgQDs showed specific antibacterial activity against E. coli bacterial stain. Quantum dots displayed a pronounced and specific activity causing \> 50\% growth of COLO-205 and MCF-7 human cancer Cells at concentrations \< 10(-7 )M. Hence, present black box synthetic protocol of AgQDs could be life science application.

}, keywords = {AgQDs, Black box, COLO-205, Photocatalytic}, issn = {0022-2313}, doi = {10.1016/j.jlumin.2019.04.014}, author = {Pansare, Amol V. and Shedge, Amol A. and Chhatre, Shraddha Y. and Das, Debabrata and Murkute, Punam and Pansare, Shubham V. and Nagarkar, Amit A. and Patil, Vishwnath R. and Chakrabarti, S.} } @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 {46131, title = {Alpha-Angelica lactone in a new role: facile access to N-Aryl tetrahydroisoquinolinones and isoindolinones via organocatalytic alpha-CH2 oxygenation}, journal = {Organic Letters}, volume = {21}, year = {2019}, month = {APR }, pages = {2532-2535}, type = {Article}, abstract = {

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

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.9b00224}, author = {Thatikonda, Thanusha and Deepake, Siddharth K. and Das, Utpal} } @article {46411, title = {Altering the O/C ratio of lignin derived monomers without sacrificing atom efficiency}, journal = {ChemistrySelect}, volume = {4}, year = {2019}, month = {DEC}, pages = {14050-14055}, type = {Article}, abstract = {

Synthesis of platform and fuel grade chemicals from lignin without losing atom efficiency and lowering O/C ratio is a challenge in a bio-refinery concept. In this work, we report solid acid catalysed alkylation of lignin derived variety of monomers such as guaiacol, veretrole, phenol, anisole, and catechol using numerous alcohols as alkylating agents. Results elaborate that the type of acidity and structure of catalyst play important role in achieving higher dialkylated products (DAP). With 85\% conversion of guaiacol, 30.9\% DAP formation was achieved at 250 degrees C within 2 h. A unique substrate adsorption study on the catalyst surface and effect of solubility of substrates on the activity of catalyst is evaluated. Catalyst was observed to be recyclable with marginal loss in the activity due to handling error.

}, keywords = {Alcohols, Alkylation, lignin, Monomers, solid acid catalyst, Up-gradation}, issn = {2365-6549}, doi = {10.1002/slct.201903320}, author = {Singh, Dheerendra and Dhepe, Paresh L.} } @article {46239, title = {Alternative synthesis of the CNS stimulant Prolintane}, journal = {Arkivoc}, year = {2019}, pages = { 292-297}, type = {Article}, abstract = {

An alternative synthesis of prolintane, a CNS stimulant, is reported using commercially available allyl benzene in good overall yield (32.3\%). The key transformations include epoxidation, Grignard reaction, Mitsunobu and reduction protocols.

}, doi = {10.24820/ark.5550190.p010.952}, author = {Mujahid, M. and Korpe, G. V. and Deshmukh, S. P. and Bhadange, S. G. and Muthukrishnan, M.} } @article {46041, title = {Amino acid amide based ionic liquid as an efficient organo-catalyst for solvent-free knoevenagel condensation at room temperature}, journal = {Catalysis Letters}, volume = {149}, year = {2019}, month = {SEP}, pages = {2368-2375}, type = {Article}, abstract = {

Ionic liquids of amino acid amide were synthesized and used as an efficient catalyst for solvent-free Knoevenagel condensation. Synthesized ionic liquids are an environmentally benign, inexpensive, metal free and plays the dual role of solvent as well as an efficient catalyst for Knoevenagel condensation. A wide range of aliphatic, aromatic and heteroaromatic aldehydes easily undergo condensation with malononitrile and ethyl cyanoacetate. The reaction proceeds at room temperature without using any organic solvent and is very fast with good to excellent yield. Additionally, the catalyst is easily separable and recyclable without loss of activity. [GRAPHICS] .

}, keywords = {Acrylonitrile, Amino acid amide, Cyanoacrylate, Ionic liquid, Knoevenagel condensation, Solvent-free}, issn = {1011-372X}, doi = {10.1007/s10562-019-02840-5}, author = {Burate, Pralhad A. and Javle, Balasaheb R. and Desale, Pranjal H. and Kinage, Anil K.} } @article {46072, title = {Aromatic polyesters containing pendant azido groups: synthesis, characterization, chemical modification and thermal cross-linking}, journal = {European Polymer Journal}, volume = {116}, year = {2019}, month = {JUL}, pages = {180-189}, type = {Article}, abstract = {

A partially bio-based bisphenol containing pendant azido group viz., 4,4{\textquoteright}-(5-azidopentane-2,2-diyl) diphenol (AZBPA) was synthesized starting from 4,4{\textquoteright}-bis (4-hydroxyphenyl) pentanoic acid. AZBPA was reacted with isophthaloyl chloride (IPC), terephthaloyl chloride (TPC) and a mixture of IPC/TPC (50:50 mol\%) by phase transfer-catalyzed interfacial polycondensation route to obtain aromatic polyesters containing pendant azido groups. Copolyesters containing pendant azido groups were also synthesized by polycondensation of different molar proportions of AZBPA and commercially available 4,4{\textquoteright}-(1-phenylethane-1,1-diyl) diphenol (BPA-AP) with IPC. Inherent viscosities and number average molecular weights of (co)polyesters were in the range 0.85-1.64 dL/g and 58,900-190,400, respectively, indicating the formation of reasonably high molecular weight polymers. Tough, transparent, and flexible films could be cast from chloroform solutions of these polyesters. X-Ray diffraction analysis showed that (co)polyesters were amorphous in nature. (Co)polyesters were characterized using FT-IR, H-1 NMR spectroscopy, XRD, TGA and DSC analysis. The chemical modification of a representative copolyester containing pendant azido groups was carried out quantitatively using copper-catalyzed azide-alkyne cycloaddition (CuAAC) with two alkynes viz., phenyl acetylene (PA) and ethynyl-4-nitrobenzene (ENB). Additionally, (co)polyesters containing pendant azido groups were thermally cross-linked (170 degrees C/12 h) leading to the formation of network structures based on azide to nitrene decomposition and subsequent reactions on polyester backbone. The selected cross-linked polyesters were characterized by stress-strain measurements. The cross-linked polymers exhibited higher tensile strength and Young{\textquoteright}s modulus and lower \% elongation at break compared to corresponding pristine polyesters containing pendant azido groups.

}, keywords = {Aromatic polyester, Chemical modification, Click chemistry, Pendant azido group, Thermal cross-linking}, issn = {0014-3057}, doi = {10.1016/j.eurpolymj.2019.04.019}, author = {Nagane, Samadhan S. and Verma, Savita and Tawade, V, Bhausaheb and Sane, Prakash S. and Dhanmane, Sushilkumar A. and Wadgaonkar, Prakash P.} } @article {46113, title = {Azadirachtin-A from azadirachta indica impacts multiple biological targets in cotton bollworm helicoverpa armigera}, journal = {ACS Omega}, volume = {4}, year = {2019}, month = {MAY}, pages = {9531-9541}, type = {Article}, abstract = {

Azadirachtin-A (AzaA) from the Indian neem tree (Azadirachta indica) has insecticidal properties; however, its molecular mechanism remains elusive. The {\textquoteleft}{\textquoteleft}targeted and nontargeted proteomic profiling{\textquoteright}{\textquoteright}, metabolomics, matrix-assisted laser desorption/ionization time of flight (MALDI-TOF) imaging, gene expression, and in silico analysis provided clues about its action on Helicoverpa armigera. Fourth instar H. armigera larvae fed on AzaA-based diet (AzaD) suffered from significant mortality, growth retardation, reduced larval mass, complications in molting, and prolonged development. Furthermore, death of AzaD-fed larvae was observed with various phenotypes like bursting, blackening, and half-molting. Liquid chromatography-mass spectrometry (LC-MS) data showed limited catabolic processing of ingested AzaA and dramatic alternations of primary metabolism in H. armigera. MALDI-TOF imaging indicated the presence of AzaA in midgut of H. armigera. In the gut, out of 79 proteins identified, 34 were upregulated, which were related to digestion, immunity, energy production, and apoptosis mechanism. On the other hand, 45 proteins were downregulated, including those from carbohydrate metabolism, lipid metabolism, and energy transfer. In the hemolymph, 21 upregulated proteins were reported to be involved in immunity, RNA processing, and mRNA-directed protein synthesis, while 7 downregulated proteins were implicated in energy transfer, hydrolysis, lipid metabolism, defense mechanisms, and amino acid storage-related functions. Subsequently, six target proteins were identified using labeled AzaA that interacted with whole insect proteins. In silico analysis suggests that AzaA could be efficiently accommodated in the hydrophobic pocket of juvenile hormone esterase and showed strong interaction with active site residues, indicating plausible targets of AzaA in H. armigera. Quantitative polymerase chain reaction analysis suggested differential gene expression patterns and partly corroborated the proteomic results. Overall, data suggest that AzaA generally targets more than one protein in H. armigera and hence could be a potent biopesticide.

}, issn = {2470-1343}, doi = {10.1021/acsomega.8b03479}, author = {Dawkar, Vishal V. and Barage, Sagar H. and Barbole, Ranjit S. and Fatangare, Amol and Grimalt, Susana and Haldar, Saikat and Heckel, David G. and Gupta, Vidya S. and Thulasiram, Hirekodathakallu V. and Svatos, Ales. and Giri, Ashok P.} } @article {45602, title = {Bifunctional oxygen reduction and evolution activity in brownmillerites Ca2Fe(1- x)CoxO5}, journal = {ACS Omega}, volume = {4}, year = {2019}, month = {JAN}, pages = {31{\textendash}38}, type = {Article}, abstract = {State-of-the-art catalysts for oxygen reduction and evolution reactions (ORR and OER), which form the basis of advanced fuel cell applications, are based on noble metals such as Pt and Ir. However, high cost and scarcity of noble metals have led to an increased demand of earth-abundant metal oxide catalysts, especially for bifunctional activity in ORR and OER. The fact that Pt and Ir or C, the cost-effective alternatives suggested, do not display satisfactory bifunctional activity has also helped in turning the interest to metal oxides which are stable under both ORR and OER conditions. Brownmillerite A2B2O5 type oxides are promising as bifunctional oxygen electrocatalysts because of intrinsic structural features, viz., oxygen vacancy and catalytic activity of the B-site transition metal. In this study, Co-doped Ca2Fe2O5 compounds are synthesized by the solid state method and structurally analyzed by Rietveld refinement of powder X-ray diffraction data. The compound Ca2Fe2O5, crystallizing in the Pcmn space group has alternative FeO4 tetrahedral and FeO6 octahedral layers. Its Co-doped analogue, Ca2Fe1.75Co0.25O5, also crystallizes in the same space group with both tetrahedral and octahedral Fe positions substituted with Co. However, Ca2FeCoO5 in the Pbcm space group shows interlayer ordering with Co-rich octahedra connected to Fe-rich tetrahedra and vice versa. Oxygen bifunctional activities of these catalysts are monitored by rotating disc electrode and rotating ring disc electrode techniques in alkaline media. A close analysis of the ORR and OER was conducted through comparison of various parameters such as onset potential, current density, halfwave potential, and other kinetic parameters, which suggests that the presence of Co in the B site aids in achieving better bifunctional activity and bulk conductivity. In addition, Co(II)/Co(III) redox systems and their comparative concentrations also play a decisive role in enhancing the activity.}, doi = {10.1021/acsomega.8b02468}, author = {Thundiyil, S. and Kurungot, S. and Devi, R. N.} } @article {46228, title = {Bioactivities and molecular networking-based elucidation of metabolites of potent actinobacterial strains isolated from the Unkeshwar geothermal springs in India}, journal = {RSC Advances}, volume = {9}, year = {2019}, month = {MAR}, pages = {9850-9859}, type = {Article}, abstract = {

The bioactive potential of Actinobacteria endemic to hot springs has rarely been investigated. This study highlights the cultivable diversity and bioactivities of Actinobacteria associated with the Unkeshwar hot springs, India. Potent strains were evaluated for their biosynthetic potentials and metabolite analysis was performed using effective dereplication molecular networking tools. A total of 86 actinobacterial strains were isolated and grouped into 21 distinct genera, based on 16S rRNA gene sequence analysis. These strains included rare members such as Micromonospora, Marmoricola, Actinomadura, Cellulomonas, Cellulosimicrobium, Janibacter, Rothia, Barrentisimonas, Dietzia and Glycomyces. In antimicrobial screening, Micromonospora sp. strain GH99 and Streptomyces sp. strain GH176 were found to be potent antimicrobial strains. The metabolic extracts of these strains exhibited strong antimicrobial activity against Staphylococcus epidermidis (NCIM 2493), Shigella flexneri (NCIM 5265), Klebsiella pneumonia (NCIM 2098), and Salmonella abony (NCIM 2257). The extracts also displayed strong anti-biofilm and anticancer activities against Pseudomonas aeruginosa (NCIM 5029), Acinetobacter junii (NCIM 5188) and breast cancer cell line MCF7, respectively. Both strains also tested positive for the presence of the PKS biosynthetic gene cluster in their genomes. To effectively delineate the secondary metabolites, the extracts were subjected to MS/MS-guided molecular networking analysis. Structurally diverse compounds including the polyketides 22-dehydroxymethyl-kijanolide (GH99 strain) and Abyssomicin I (GH176 strain) were detected in the extracts. Interestingly, Brevianamide F was detected in the extract of Micromonospora, which has previously been mostly found in fungal species. Other compounds such as cyclic tripeptides, Cyclo(l-Pro-d-Ile) and Cyclo(d-Pro-l-Phe), were also identified in this strain. In summary, for the first time, we explored the diversity of Actinobacteria and evaluated their bioactive potential from the Unkeshwar hot springs. The potent strains isolated in the study could be useful in drug discovery programs.

}, doi = {10.1039/c8ra09449g}, author = {Mehetre, Gajanan T. and Vinodh, J. S. and Burkul, Bhushan B. and Desai, D. and Santhakumari, B. and Dharne, Mahesh S. and Dastager, Syed G} } @inbook {47471, title = {Biochemical and molecular aspects of dimorphism in fungi}, booktitle = {Advancing Frontiers in Mycology \& Mycotechnology}, year = {2019}, pages = {69-94}, publisher = {Springer}, organization = {Springer}, abstract = {Most of the eukaryotic differentiation processes are unidirectional. However, fungi have the ability to grow reversibly as unicellular yeast (Y) or as filamentous hypha (H) in response to the specific strain-dependent environmental stimuli. Such a phenomenon known as {\textquotedblleft}dimorphism{\textquotedblright} is not limited to a specific class of fungi. Most of the plant, human, and insect pathogenic fungi show Y-H and reversible morphogenesis, associated with their saprophytic to pathogenic change, for survival and proliferation in the host. In this chapter, we have described the factors stimulating dimorphism, the signal transduction pathways induced by these stimuli, changes in the gene/protein expression patterns due to a cascade of these signals, and, finally, translation of this genotypic effect into phenotypic change, i.e., the morphological outcome. The process of fungal differentiation and formation of tumor cells follow the same regulatory series of events, involving cAMP, MAP, and RAS kinase cascades. Therefore, the molecules inhibiting Y-H transition in fungi can be explored for their anticancer potential.}, doi = {10.1007/978-981-13-9349-5_3}, author = {Pathan, Ejaj K. and Ghormade, Vandana and Panmei, Redeemson and Deshpande, Mukund V.} } @article {46042, title = {Biodegradation of mixed polycyclic aromatic hydrocarbons by pure and mixed cultures of biosurfactant producing thermophilic and thermo-tolerant bacteria}, journal = {Science of the Total Environment}, volume = {679}, year = {2019}, month = {AUG}, pages = {52-60}, type = {Article}, abstract = {

Applicability of thermophilic and thereto-tolerant microorganisms for biodegradation of polycyclic aromatic hydrocarbons (PAHs) with low water solubility is an interesting strategy for improving the biodegradation efficiency. In this study, we evaluated utility of thermophilic and thermo-tolerant bacteria isolated from Unkeshwar hot spring (India) for biodegradation of four different PAHs. Water samples were enriched in mineral salt medium (MSM) containing a mixture of four PAHs compounds (anthracene: ANT, fluorene: FLU, phenanthrenc: PHE and pyrene: PYR) at 37 degrees C and 50 degrees C. After growth based screening, four potent strains obtained which were identified as Aeribacillus pallidus (UCPS2), Bacillus axarquiensis (UCPD1), Bacillus siamensis (GHP76) and Bacillus subtilis subsp. inaquosorum (U277) based on the 16S rRNA gene sequence analysis. Degradation of mixed PAH compounds was evaluated by pure as well as mixed cultures under shake flask conditions using MSM supplemented with 200 mg/L concentration of PAHs (50 mg/L of each compound) for 15 days at 37 degrees C and 50 degrees C. A relatively higher degradation of ANT (92\% - 96\%), FLU (83\% - 86\%), PHE (16\% - 54\%) and PYR (51\% - 71\%) was achieved at 50 degrees C by Aeribacillus sp. (UCPS2) and mixed culture. Furthermore, crude oil was used as a substrate to study the degradation of same PAHs using these organisms which also revealed with similar results with the higher degradation at 50 degrees C. Interestingly, PAH-degrading strains were also positive for biosurfactant production. Biosurfactants were identified as the variants of surfactins (lipopeptide biosurfactants) based on analytical tools and phylogenetic analysis of the surfactin genes. Overall, this study has shown that hot spring microbes may have a potential for PAHs degradation and also biosurfactant production at a higher temperature, which could provide a novel perspective for removal of PAHs residues from oil contaminated sites. (C) 2019 Elsevier B.V. All rights reserved.

}, keywords = {Biodegradation, Biosurfactants, Crude oil, Mixed culture, PAHs, Thermophiles}, issn = {0048-9697}, doi = {10.1016/j.scitotenv.2019.04.376}, author = {Mehetre, Gajanan T. and Dastager, Syed G. and Dharne, Mahesh S.} } @article {46047, title = {Biodegradation of squalene and n-hexadecane by Gordonia amicalis HS-11 with concomitant formation of biosurfactant and carotenoids}, journal = {International Biodeterioration \& Biodegradation}, volume = {142}, year = {2019}, month = {AUG}, pages = {172-181}, type = {Article}, abstract = {

Gordonia amicalis HS-11 has been enriched from a hydrocarbon contaminated tropical soil sample. The ability of this organism to utilize a triterpenic polyunsaturated hydrocarbon, squalene (2,6,10,15,19,23-hexamethyl-6,6,10,14,18,20-tetracosahexane) and the model saturated hydrocarbon n-hexadecane is described here. The isolate degraded squalene and n-hexadecane (79 +/- 3.02 and 96 +/- 4.11\%, respectively) after eight days of incubation. The isolate produced an extracellular biosurfactant that reduced surface tension from 69 +/- 2.83 to 40 +/- 1.63 and 35 +/- 2.34 mN m(-1) with squalene and n-hexadecane as carbon sources, respectively, after 6 days. The Actinomycete cleaved squalene to geranylacetone and famesyl acetaldehyde that were further utilized for supporting growth. n-Hexadecane was degraded via monoterminal oxidation and activities of important enzymes (alkane hydroxylase and alcohol dehydrogenase) were highest (215 +/- 8.76 and 169 +/- 6.02 units mg(-1) protein, respectively) after four days. Cells grown on squalene were short and with n-hexadecane there were clumps of longer cells. Squalene and n-hexadecane-grown cell surfaces were smooth possibly due to extracellular surface active compounds. While growing on hydrophobic substrates, some cells were seen adhering to droplets and others were in the free form. The culture was able to simultaneously degrade hydrocarbons and produce two commercially relevant value-added products. The yield of the extracellular biosurfactant on n-hexadecane was 480 mg l(-1) and cells grown on squalene and n-hexadecane also yielded carotenoids (2.3 +/- 0.14 and 2.9 +/- 0.10 mg g(-1) dry cell weight, respectively). This is the first report on the utilization of squalene by Gordonia.

}, keywords = {Aerobic biodegradation, Carotenoids, Catabolic pathways, Emulsifier, Gordonia amicalis HS-11}, issn = {0964-8305}, doi = {10.1016/j.ibiod.2019.05.005}, author = {Sowani, Harshada and Deshpande, Ashish and Gupta, Vidya and Kulkarni, Mohan and Zinjarde, Smita} } @article {46419, title = {Biopolymer/glycopolypeptide-blended scaffolds: synthesis, characterization and cellular interactions}, journal = {Chemistry-An Asian Journal}, year = {2019}, month = {DEC}, type = {Article; Early Access}, abstract = {

Three-dimensional (3D) scaffolds formed from natural biopolymers gelatin and chitosan that are chemically modified by galactose have shown improved hepatocyte adhesion, spheroid geometry and functions of the hepatocytes. Galactose specifically binds to the hepatocytes via the asialoglycoprotein receptor (ASGPR) and an increase in galactose density further improves the hepatocyte proliferation and functions. In this work, we aimed to increase the galactose density within the biopolymeric scaffold by physically blending the biopolymers chitosan and gelatin with an amphiphlic beta-galactose polypeptide (PPO-GP). PPO-GP, is a di-block copolymer with PPO and beta-galactose polypeptide, exhibits lower critical solution temperature and is entrapped within the scaffold through hydrophobic interactions. The uniform distribution of PPO-GP within the scaffold was confirmed by fluorescence microscopy. SEM and mechanical testing of the hybrid scaffolds indicated pore size, inter connectivity and compression modulus similar to the scaffolds made from 100 \% biopolymer. The presence of the PPO-GP on the surface of the scaffold was tested monitoring the interaction of an analogous mannose containing PPO-GP scaffold and the mannose binding lectin Con-A. In vitro cell culture experiments with HepG2 cells were performed on GLN-GP and CTS-GP and their cellular response was compared with GLN and CTS scaffolds for a period of seven days. Within three days of culture the Hep G2 cells formed multicellular spheroids on GLN-GP and CTS-GP more efficiently than on the GLN and CTS scaffolds. The multicellular spheroids were also found to infiltrate more in GLN-GP and CTS-GP scaffolds and able to maintain their round morphology as observed by live/dead and SEM imaging.

}, keywords = {adhesion, Aggregates, Cellular infiltration, Spheroids}, issn = {1861-4728}, doi = {10.1002/asia.201901227}, author = {Dhaware, Vinita and Diaz, David Diaz and Sen Gupta, Sayam} } @inbook {47470, title = {Bioprospecting of fungal entomo- and myco-pathogens}, booktitle = {Advancing Frontiers in Mycology \& Mycotechnology}, year = {2019}, pages = {497-513}, publisher = {Springer}, organization = {Springer}, abstract = {The pest and pathogen control in the field using fungi and their metabolites has indeed gone beyond {\textquoteleft}proof of concept{\textquoteright}. However, in view of the performances of these biocontrol fungi in the fields, moreover, acceptability by the end users regarding cost-effectiveness, shelf life, intellectual property rights (IPR), the additional roles, and possible applications are being explored. Dual pathogenicity, viz. entomopathogenesis and mycoparasitism, has added the advantage of wide-spectrum biocontrol in single-crop system. In addition to plant protection, these fungi can promote plant growth. Further, in integrated pest management, the bioremediation of pesticide residues, if any, can also be achieved by these organisms. For value addition, use of cuticle-degrading and mycolytic enzymes produced as killing components can be explored in food, detergent, organic synthesis, and pharmaceutical industries. While exploring the additional applications, the safety to beneficial insects and fungi, biodiversity, and humans, in general, is also addressed.}, doi = {10.1007/978-981-13-9349-5_20}, author = {Pathan, E. K. and Patil, A. V. and Deshpande, M. V.} } @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 {46064, title = {Boron-conjugated pyrenes as fluorescence-based molecular probes and security markers}, journal = {ChemPlusChem}, year = {2019}, month = {JUL}, type = {Article}, abstract = {

Boron-embedded aromatic hydrocarbons are a class of molecules known for their distinct electronic and/or optoelectronic properties and are thus suitable for many potential applications. Among those, boronic ester and acid containing molecules have been widely used for sensing and molecular recognition applications, respectively. We compared the sensing and molecular recognition properties of two boron-containing pyrene derivatives for fluoride and glucose sensing applications. The presence of four boronate ester groups enabled fluoride ion sensing at the mu M level. The boronic acid derivative is very selective towards glucose compared to other saccharides. Furthermore, we used the mechano-responsive fluorescence changes and self-assembly of these derivatives, respectively, for fluorescence-based inkless and ink (water)-based writing in invisible security labeling applications.

}, keywords = {boron, carbohydrates, mechanoluminescence, pyrene, sensors}, issn = {2192-6506}, doi = {10.1002/cplu.201900280, Early Access Date = JULY, Early Access Year = 2019}, author = {Wakchaure, Vivek Chandrakant and Das, Tamal and Babu, Sukumaran Santhosh} } @article {47490, title = {Catalytic hydrogenation products of aromatic and aliphatic dicarboxylic acids}, journal = {Asian Journal of Chemistry}, volume = {31}, year = {2019}, month = {APR}, pages = {1137-1142}, type = {Article}, abstract = {Hydrogenation of aromatic dicarboxylic acids gave 100 \% selectivity to respective cyclohexane dicarboxylic acid with 5 \% Pd/C catalyst. 5 \% Ru/C catalyst was observed to give over hydrogenation products at 493 K and at lower temperature (453 K) the selectivity for cyclohexane dicarboxylic acids was increased. Hydrogenation of phthalic acid with Ru-Sn/Al2O3 catalyst was observed to give phthalide instead of 1,2-benzene dimethanol or 2-hydroxy methyl benzoic acid. Ru-Sn/Al2O3 catalyst selectively hydrogenated the carboxylic group of cyclohexane dicarboxylic acids to give cyclohexane dimethanol. Use of proper catalysts and reaction conditions resulted in desired products.}, doi = {10.14233/ajchem.2019.21921}, author = {Shinde, Sunil and Deshpande, Raj M.} } @article {45568, title = {Characterization of novel acidic and thermostable phytase secreting Streptomyces sp. (NCIM 5533) for plant growth promoting characteristics}, journal = {Biocatalysis and Agricultural Biotechnology}, volume = {18}, year = {2019}, month = {MAR}, pages = {Article No: 101020}, type = {Article}, abstract = {Successful agricultural practices in acidic and arid region soils are still challenging worldwide. We investigated Actinomycete strain obtained from soil, which was found to produce extracellular phytase having the optimum pH, temperature of 2.5 and 70 {\textdegree}C, respectively and Plant growth promoting (PGP) attributes. These abilities of the phytase make it novel as compared to other Streptomyces derived phytases. Strain was also evaluated for physiological traits such as salinity, temperature, and pH followed by morphological and molecular identification. The Streptomyces sp. strain (NCIM 5533) displayed additional PGP traits such as indole-3-acetic acid (IAA), ammonia and phosphate solubilization activity. A significant increment in Tomato plant (Solanum lycopersicum) root, shoot and as well as total height in bioassays at laboratory scale and green house level and its ability to colonize roots substantiated its potency as a true plant growth promoting rhizobacteria (PGPR). To our knowledge this is the first report of Streptomyces sp. having the ability to produce acidic and thermostable phytase as well as PGP traits showing enhanced plant growth could have implications in soils having acidic nature and also in arid region.}, doi = {10.1016/j.bcab.2019.101020}, author = {Puppala, K. R. and Bhavsar, K. and Sonalkar, V. and Khire, J. M. and Dharne, M. S.} } @article {46434, title = {Chiral separation of styrene oxides supported by enantiomeric tetrahedral neutral Pd(II) cages}, journal = {Inorganic Chemistry}, volume = {58}, year = {2019}, month = {NOV}, pages = {15017-15020}, type = {Article}, abstract = {

The separation of enantiomers is of considerable importance in the preparation of the compounds of biological interests, catalysis, and drug development. Here, we report a novel enantioseparation of styrene epoxides (SOs) resolved in the presence of a pair of enantio-enriched tetrahedral cages. Chiral neutral cages of formula [(Pd3X*)(4)(C6O4Cl2)(6)] ([X*](3-) = RRR-or SSS-[PO(N(*CH(CH3)Ph)(3)](3)) are constructed from Pcl, building units supported by tris(imido)phosphate trianions and chloranilate linkers. These cages exhibit considerable enantioselective separation capabilities toward a series of styrene epoxides via a crystallization inclusion method. A highest enantiomeric excess (ee) value of up to 80\% is achieved for the (R)-4-fluorostyrene oxide.

}, issn = {0020-1669}, doi = {10.1021/acs.inorgchem.9b02389}, author = {Rajasekar, Prabhakaran and Pandey, Swechchha and Ferrara, Joseph D. and Del Campo, Mark and Le Magueres, Pierre and Boomishankar, Ramamoorthy} } @article {47173, title = {Comparative study of a class of mean field theories of the glass transition}, journal = {Journal of Statistical Mechanics-Theory and Experiment}, volume = {2019}, year = {2019}, month = {AUG}, pages = {084008}, type = {Article}, abstract = {

In a recently developed microscopic mean field theory, we have shown that the dynamics of a system, when described only in terms of its pair structure, can predict the correct dynamical transition temperature. Further, the theory predicted the difference in dynamics of two systems (the Lennard-Jones and the Weeks-Chandler-Andersen) despite them having quite similar structures. This is in contrast to the Schweizer-Saltzman (SS) formalism which predicted the dynamics of these two systems to be similar. The two theories although similar in spirit have certain differences. Here we present a comparative study of these two formalism to find the origin of the difference in their predictive power. We show that not only the dynamics in the potential energy surface, as described by our earlier study, but also that in the free energy surface, like in the SS theory, can predict the correct dynamical transition temperature. Even an approximate one component version of our theory, similar to the system used in the SS theory, can predict the transition temperature reasonably well. Interestingly, we show here that despite the above mentioned shortcomings the SS theory can actually predict the correct transition temperatures. Thus microscopic mean field theories of this class which express dynamics in terms of the pair structure of the liquid while being unable to predict the actual dynamics of the system are successful in predicting the correct dynamical transition temperature.

}, keywords = {aging, etc), glasses (colloidal, glassy dynamics, mode coupling theory, Polymer, slow relaxation}, issn = {1742-5468}, doi = {10.1088/1742-5468/ab3115}, author = {Saha, Indranil and Nandi, Manoj Kumar and Dasgupta, Chandan and Bhattacharyya, Sarika Maitra} } @article {46353, title = {Concise formal synthesis of (-)-(6R,11R,14R)-colletallol via D-proline catalysed alpha-aminooxylation-Wittig olefination strategy}, journal = {Indian Journal of Chemistry Section B-Organic Chemistry Including Medicinal Chemistry}, volume = {58}, year = {2019}, month = {SEP}, pages = {1029-1036}, type = {Article}, abstract = {

An efficient enantioselective formal synthesis of marine macrolide (-)-(6R,11R,14R)-colletallol has been achieved starting from commercially available raw materials. The key reactions include the D-proline catalyzed a-aminooxylation of aldehyde followed by Horner-Wardsworth-Emmons olefination in a sequential fashion to give the macrolide key intermediate 5 in high enantiomeric purity (97\% ee) and high overall yield (32\%).

}, keywords = {alpha-aminoxylation, Asymmetric synthesis, Enantioselectivity, Natural products, organocatalysis}, issn = {0376-4699}, author = {Dey, Soumen and Gadakh, Sunita and Sudalai, Arumugam} } @article {46156, title = {Conversion of curved assemblies into two dimensional sheets}, journal = {Nanoscale}, volume = {11}, year = {2019}, month = {MAR}, pages = {5732-5736}, type = {Article}, abstract = {

The design and preparation of organic two dimensional (O2D) sheets and their conversion to curved nanostructures is in its infancy. To convert a flat structure into a curved structure, the molecule must have multiple interaction possibilities and an in-built twist. The conjugated small molecule iso-Indigo (i-Indigo) comprises two phenyl rings that are twisted (the dihedral angle is 15 degrees) at the junction. The i-Indigo has been connected with moieties that impart hydrogen bonding and van der Waals interactions. Due to the presence of the cloud in i-Indigo, - interactions are also present in the molecule. While all three interactions are in operation, rings and toroids are formed. Upon addition of hydrogen bonding competing solvents, the rings and toroids unravel to form O2D sheets. Control molecules that don{\textquoteright}t have hydrogen bonding moieties and - interactions form random assemblies. Please note that the rings, toroids and O2D sheets are formed in a single solvent by simple dissolution, unlike previous approaches that involve multiple steps and solvents.

}, issn = {2040-3364}, doi = {10.1039/c8nr09915d}, author = {Deshmukh, Gunvant and Krishnamoorthy, Kothandam} } @article {46219, title = { Covalent organic frameworks: chemistry beyond the structure }, journal = {Journal of the American Chemical Society}, volume = {141}, year = {2019}, month = {FEB}, pages = {1807-1822}, type = {Article}, abstract = {

Covalent organic frameworks (COFs) represent a new field of rapidly growing chemical research that takes direct inspiration from diverse covalent bonds existing between atoms. The success of linking atoms in two and three dimensions to construct extended framework structures moved the chemistry of COFs beyond the structures to methodologies, highlighting the possibility of prospective applications. Although structure to property relation in COFs has led to fascinating properties, chemical stability, processability and scalability were some of the important challenges that needed to be overcome for their successful implementation. In this Perspective, we take a closer look at the growth of COFs from mere supramolecular structures to potential industrializable materials.

}, doi = { 10.1021/jacs.8b10334}, author = {Kandambeth, Sharath and Dey, Kaushik and Banerjee, Rahul} } @article {46413, title = {Covalent self-assembly in two dimensions: connecting covalent organic framework nanospheres into crystalline and porous thin films}, journal = {Journal of the American Chemical Society}, volume = {141}, year = {2019}, month = {DEC }, pages = {20379}, type = {Article}, chapter = {20371}, abstract = {

Insolubility of covalent organic frameworks (COFs) in organic solvents is one of the major obstacles for the potential application of these extended networks such as drug delivery, sensing, optoelectronics, and semiconductor device fabrication. The present work proposes a unique way to make uniform, solution-processable, crystalline, and porous COF nanospheres directly from the homogeneous solution of amine and aldehyde via spatial and temporal control of the nucleation and growth. This strategy of direct nucleation simultaneously showcases the caliber to tune the size of the COF nanospheres from 25 to 570 nm. We have also demonstrated the concept of mesoscale covalent self-assembly of those solution-processable COF nanospheres in the liquid-liquid interface (DCM-water bilayer) for the very first time, transmuting them into self-standing COF thin films with long-range ordered arrangements in two dimensions. The crystalline and porous (with TpAzo showing highest S-BET of 1932 m(2) g(-1)) free-standing COF thin films could be fabricated in a wide range of thicknesses from as low as 21 nm to as high as 630 nm. Both beta-ketoenamine (TpAzo, TpDPP) and imine (TpOMeAzo, TpOMeDPP) linked COF thin films have been synthesized via mesoscale covalent self-assembly of the solution-processable COF nanospheres illustrating the generality of this eloquent methodology. Further, the solution processability has been tested and utilized to cast COF thin films uniformly in the inner and outer surface of an alumina hollow fiber membrane. The COF thin film-alumina hollow fiber membrane composites have showcased promising selective molecular separation of He and O-2, He and CO2, and He and N-2.

}, issn = {0002-7863}, doi = {10.1021/jacs.9b10788}, author = {Sasmal, Himadri Sekhar and Halder, Arjun and Kunjattu, Shebeeb and Dey, Kaushik and Nadol, Athulya and Ajithkumar, Thalasseril G. and Bedadur, Prachiti Ravindra and Banerjee, Rahul} } @article {46161, title = {Crystal engineering: an outlook for the future}, journal = {Angewandte Chemie-International Edition}, volume = {58}, year = {2019}, month = {MAR}, pages = {4100-4107}, type = {Article}, abstract = {

Crystal Engineering has traditionally dealt with molecular crystals. It is the understanding of intermolecular interactions in the context of crystal packing and in the utilization of such understanding in the design of new solids with desired physical and chemical properties. We outline here five areas which come under the umbrella of Crystal Engineering and where we feel that a proper planning of research efforts could lead to higher dividends for science together with greater returns for humankind. We touch on themes and domains where science funding and translation efforts could be directed in the current climate of a society that increasingly expects applications and utility products from science and technology. The five topics are: 1)pharmaceutical solids; 2)industrial solid state reactions; 3)mechanical properties with practical applications; 4)MOFs and COFs framework solids; 5)new materials for solar energy harvesting and advanced polymers.

}, keywords = {crystal engineering, metal-organic frameworks, pharmaceutical solids, solar energy, solid-state reactions}, issn = {1433-7851}, doi = {10.1002/anie.201811313}, author = {Nangia, Ashwini K. and Desiraju, Gautam R.} } @article {46280, title = {Cyclic tetrapeptides from nature and design: a review of synthetic methodologies, structure, and function}, journal = {Chemical Reviews}, volume = {119}, year = {2019}, month = {SEP}, pages = { 10318-10359}, type = {Article}, abstract = {

Small cyclic peptides possess a wide range of biological properties and unique structures that make them attractive to scientists working in a range of areas from medicinal to materials chemistry. However, cyclic tetrapeptides (CTPs), which are important members of this family, are notoriously difficult to synthesize. Various synthetic methodologies have been developed that enable access to natural product CTPs and their rationally designed synthetic analogues having novel molecular structures. These methodologies include the use of reversible protecting groups such as pseudoprolines that restrict conformational freedom, ring contraction strategies, on-resin cyclization approaches, and optimization of coupling reagents and reaction conditions such as temperature and dilution factors. Several fundamental studies have documented the impacts of amino acid configurations, N-alkylation, and steric bulk on both synthetic success and ensuing conformations. Carefully executed retrosynthetic ring dissection and the unique structural features of the linear precursor sequences that result from the ring dissection are crucial for the success of the cyclization step. Other factors that influence the outcome of the cyclization step include reaction temperature, solvent, reagents used as well as dilution levels. The purpose of this review is to highlight the current state of affairs on naturally occurring and rationally designed cyclic tetrapeptides, including strategies investigated for their syntheses in the literature, the conformations adopted by these molecules, and specific examples of their function. Using selected examples from the literature, an in-depth discussion of the synthetic techniques and reaction parameters applied for the successful syntheses of 12-, 13-, and 14-membered natural product CTPs and their novel analogues are presented, with particular focus on the cyclization step. Selected examples of the three-dimensional structures of cyclic tetrapeptides studied by NMR, and X-ray crystallography are also included.

}, author = {Sarojini, Vijayalekshmi and Cameron, Alan J. and Varnava, Kyriakos G. and Denny, William A. and Sanjayan, Gangadhar} } @article {45582, title = {Data on metabolic profiling of spongy tissue disorder in Mangifera indica cv. Alphonso}, journal = {Data in Brief}, volume = {22}, year = {2019}, month = {FEB}, pages = {145-157}, type = {Article}, abstract = {Data in this article presents aroma volatiles and fatty acids composition of mesocarp specific malady namely spongy tissue disorder in Mangifera indica cv. Alphonso. Quantitative changes in various aroma volatile compound classes as well as saturated and unsaturated fatty acids in spongy tissue vis-{\`a}-vis healthy mesocarp have been analyzed throughout the development of the disorder. Statistical data analysis correlates the dynamic changes in the aroma volatiles composition to that of the modulation in the fatty acids profile.}, doi = {10.1016/j.dib.2018.11.140}, author = {Oak, P. S. and Deshpande, A. B. and Pujari, K. H. and Prabhudesai, S. S. and Giri, A. P. and Gupta, V. S.} } @article {46111, title = {Depolymerization of lignin using a solid base catalyst}, journal = {Energy \& Fuels}, volume = {33}, year = {2019}, month = {MAY}, pages = {4369-4377}, type = {Article}, abstract = {

Lignin extraction from lignocellulosic biomass has attracted considerable attention for an alternative production of sustainable fuels and chemicals. We report the lignin isolation from coconut coir using Klason, organosolv, and soda methods and the depolymerization of isolated lignin to value-added chemicals using a solid base catalyst. The yield of isolated lignin by the Klason method was found to be about 4 to 6 times higher than that by other methods. The structure of isolated Klason lignin (CC-KL), organosolv lignin (CC-ORGL), and soda lignin (CC-SL) was studied using attenuated total reflection (ATR), NMR, microanalysis, and so forth. The monomer molecular formula derived from microanalysis suggested that coir lignin is rich in guaiacyl units. ATR and C-13 NMR clearly indicate that CC-ORGL contains more C-C bonds compared to CC-KL and CC-SL. Subsequently, these isolated lignins were depolymerized over a solid base catalyst (NaX) under atmospheric pressure. CC-SL shows a high yield of aromatic products (28\%) compared to CC-ORGL and CC-KL. In order to develop a sustainable future technology, one-pot depolymerization of coconut coir was performed which resulted in a high yield (64\%) of aromatic products.

}, issn = {0887-0624}, doi = {10.1021/acs.energyfuels.9b00621}, author = {Chaudhary, Richa and Dhepe, Paresh L.} } @article {46420, title = {Descriptors to predict dye-sensitized semiconductor based photocatalyst for hydrogen evolution reaction}, journal = {ChemCatChem}, year = {2019}, type = {Article; Early Access}, abstract = {

Discovering efficient photocatalysts for hydrogen production from water splitting is highly desirable. Computational studies can help in rational designing of such catalysts through high throughput screening of materials. However, for that purpose one needs to identify descriptors that not only connects material properties with their functionality but are easy and inexpensive to compute. Using a combination of density functional theory based calculations and experiments we show two descriptors, namely, charge injection efficiency and electron hole separation, that can be used for in silico design of new and efficient dye-sensitized-semiconductor composites as catalysts for hydrogen evolution reaction.

}, keywords = {charge injection, descriptor, dye-sensitized semiconductors, electron-hole separation, H-2 evolution}, issn = {1867-3880}, doi = {10.1002/cctc.201901924}, author = {Sappati, Subrahmanyam and George, Leena and Swamy, Vincent Paul and Devi, R. Nandini and Ghosh, Prasenjit} } @article {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 {46234, title = {Detection of toxic metal ions Pb2+ in water using SiO2@Au core-shell nanostructures: A simple technique for water quality monitoring}, journal = {Chemical Physics Letters}, volume = {732}, year = {2019}, month = {OCT}, type = {Article}, abstract = {

The present paper demonstrates a development of simple, sensitive and selective optical probe for detection of Pb2+ ions in water using monodispersed silica-gold core-shell nanostructures (SiO2@Au NSs). Structural and elemental analysis confirms the phase purity of nanostructures. The SPR studies for SiO2 @Au NSs reveals, linear dynamic range for Pb2+ ions detection, in the concentration range of 100 ppb to 2 ppm, with detection limit of 100 ppb, which is 5 times higher than AuNPs. Cross sensitivity study confirm its selectivity towards Pb2+ ions over other metal ions. XPS analysis shows the interaction of Pb2+ ions with core-shell NPs.

}, doi = {10.1016/j.cplett.2019.136635}, author = {Daware, Krishna and Kasture, Manasi and Kalubarme, Ramchandra and Shinde, Rakesh and Patil, Kashinath and Suzuki, Norihiro and Terashima, Chiaki and Gosavi, Suresh and Fujishim, Akira} } @article {46144, title = {Development and evaluation of taxon-specific primers for the selected Caudovirales taxa}, journal = {Virus Research}, volume = {263}, year = {2019}, month = {APR }, pages = {184-188}, type = {Article}, abstract = {

The phage taxonomy is primarily based on the morphology derived from Transmission Electron Microscopic (TEM) studies. TEM based characterization is authentic and accepted by scientific community. However, TEM based identification is expensive and time consuming. After the phage isolation, before analysis TEM, a DNA based rapid method could be introduced. The DNA based method could dramatically reduce the number of samples analyzed by TEM and thereby increase the speed and reduce the cost of identification. In the present work, four environmental phage isolates were identified based on TEM studies and genome size. The identification of these four phages was validated using DNA based method. The taxon-specific DNA markers were identified through multiple sequence alignments. The primers were designed at conserved genes (DNA polymerase or integrase) of 4 different phage taxa viz. family Ackermannviridae, genus Jerseyvirus, genus T4virus, and genus P22virus. These primers were evaluated using both in vitro and in silico approach for the amplification of the target taxons. Majority of the primer sets were found to amplify member species of the targeted taxa in vitro. In In silico analysis, six primer sets intended for identification of family Ackermannviridae showed positive amplification of \>= 86.7\% classified species. Further, the primers targeting the genus Jerseyvirus and T4virus showed the amplification of 53.8\% and \>= 84.6\% species, respectively. The present work is a case study performed to explore the possibility of use of taxon-specific primers for identification and taxonomic studies of newly isolated phages to supplement the TEM.

}, keywords = {Bacteriophage, DNA markers, Pcr, Primers, Taxonomy, TEM}, issn = {0168-1702}, doi = {10.1016/j.virusres.2019.02.005}, author = {Newase, Sandeep K. and Gupta, Alka and Dastager, Syed G. and Kapadnis, Balu P. and Shashidhar, Ravindranath} } @article {46232, title = {Development of low-cost plant probiotic formulations of functional endophytes for sustainable cultivation of Coleus forskohlii}, journal = {Microbiological Research}, year = {2019}, month = {AUG}, type = {Article}, abstract = {

Deployment of plant endophytes at field level is reported to make an impact on agricultural crop productivity; development and deployment of suitable crop specific plant probiotics in a suitable delivery matrix is a value-added task. In our study, we attempted to develop bioformulations of native, fungal endophytes of Coleus forskohlii to improve plant yield using two different carrier-based materials (talc and wheat bran). Initially, fungal endophytes (RF1, SF1, and SF2) were grown on sterilized wheat bran under solid state condition and their growth kinetics and pattern were analyzed by ergosterol content and scanning electron microscope, respectively. 10-day-grown fungal endophytic cultures were used for the development of two types of formulations (wheat bran and talc-based formulations) and tested for their efficacy on host plant, C. forskohlii under field conditions. Interestingly, application of wheat bran-based endophytic formulations significantly (p \< 0.01) enhanced plant height (12-29\%), number of branches (51-63\%), root biomass (26-33\%), photosynthetic pigments (32-101\%), and forskolin content (35-56\%) compared to talc-based formulations under field conditions. Shelf life of endophytes (RF1, SF1, and SF2) in both formulations revealed spore viability in wheat bran-based formulations for 6 months storage period as compared to talc-based formulations. Overall, the present investigation envisages developing plant probiotic bioformulations of functional endophytes of C. forskohlii to enhance root biomass and in planta forskolin content.

}, doi = {10.1016/j.micres.2019.126310}, author = {Mastan, Anthati and Rane, Digeshwar and Dastager, Syed and VivekBabu, C. S.} } @article {46315, title = {Devising chemically robust and cationic Ni(II)-MOF with nitrogen-rich micropores for moisture-tolerant CO2 capture: highly regenerative and ultrafast colorimetric sensor for TNP and multiple Oxo-anions in water with theoretical revelation}, journal = {ACS Applied Materials \& Interfaces}, volume = {11}, year = {2019}, month = {OCT}, pages = {40134-40150}, type = {Article}, abstract = {

Metal-organic frameworks (MOFs) show distinctive superiority for carbon dioxide (CO2) capture and luminescent sensing of toxic pollutants over other materials where combination of both of these properties together with improvement of hydrolytic stability and pore functionality is critical to environmental remediation applications. The Ni(II) framework [Ni-2(mu 2OH)(azdc)(tpim)](NO3)center dot 6DMA center dot 6MeOH (CSMCRI-3) (tpim = 44{\textquoteright}4(2)-(1H-imidazole-245-triyl)tripyridine H(2)azdc = azobenzene-44{\textquoteright}-dicarboxylic acid DMA = dimethylacetamide CSMCRI = Central Salt \& Marine Chemicals Research Institute) encompassing cationic [Ni-2(mu(2)-OH)(CO2)(2)] SBUs is solvothermally synthesized from nitrogen-rich and highly fluorescent organic struts. The noninterpenetrated structure containing free nitrogen atom affixed microporous channels is stable in diverse organic solvents and weakly basic and acidic aqueous solutions. The activated MOF (3a) exhibits strong CO2-framework interaction and extremely selective CO2 adsorption over N-2 (292.5) and CH4 (11.7). Importantly water vapor exposure does not affect the surface area and/or multiple CO2 uptake-release cycles signifying potential of the porous structure for long-term use under humid conditions. Aqueous-phase sensing studies illustrate extremely specific and ultrafast detection of explosive 246-trinitrophenol (TNP) via remarkable fluorescence quenching (K-SV = 1.3 x 10 (5) M-1) with a 0.25 ppm limit of detection (LOD). Furthermore 3a serves as unique luminescent probe for highly discriminative and quick responsive detection of three noxious oxo-anions (Cr2O7 (2-) CrO4 (2-) MnO4-) in water via noteworthy turn-off responses and extreme low LODs (Cr2O7 (2-) 0.9; CrO4 (2-) 0.29; MnO4- 0.25 ppm). It is imperative to stress the outstanding reusability of the MOF toward multicyclic sensing of all four major water contaminants alongside visible colorimetric changes upon individual analyte detection. Mechanistic insights in light of the electron transfer route together with density functional theory calculations portray the influence of pore functionalization in framework-analyte interactions including alternation in energy levels where varying degrees of contribution of energy transfer explicitly authenticates high quenching of the material.

}, keywords = {chemically robust cationic MOF, DFT calculation, fast responsive detection, humid CO2 capture, TNP and oxo-anion sensing}, issn = {1944-8244}, doi = {10.1021/acsami.9b15179}, author = {Goswami, Ranadip and Seal, Nilanjan and Dash, Soumya Ranjan and Tyagi, Anshu and Neogi, Subhadip} } @article {45626, title = {Dicationic liquid mediated synthesis of tetrazoloquinolinyl methoxy phenyl 4-thiazolidinones and their antibacterial and antitubercular evaluation}, journal = {Synthetic Communications}, year = {2019}, month = {JAN}, type = {Article}, abstract = {In a search of new potentially active antitubercular agents here we have synthesized 3-substituted phenyl-2-(4-(tetrazolo[1,5-a]quinolin-4-ylmethoxy)phenyl)thiazolidin-4-ones (8a{\textendash}l) and evaluated their antibacterial, particularly antitubercular activity. These have been conveniently synthesized by performing one{\textendash}pot cyclocondensation of 4-(tetrazolo[1,5-a]quinolin-4-ylmethoxy)benzaldehyde, anilines and mercaptoacetic acid in dicationic ionic liquid, (3-methyl-1-[3-(methyl-1H-imidazolium-1-yl)propyl]-1H-imidazolium dibromide [C3(MIM)2{\textendash}2Br]) and obtained excellent yields of (8a{\textendash}l). 4-Thiazolidinones (8a{\textendash}l) were thoroughly characterized by their spectral analyses. These compounds have been screened for their in vitro antitubercular activity against Mycobacterium tuberculosis H37Ra and Mycobacterium bovis (BCG). The compounds 8a, 8c, and 8e exhibited notable in vitro antitubercular activity compare to the reference, Rifampicin. Molecular docking study has also been performed to know the binding mode of these analogs in to the active site of DprE1 enzyme. The synthesized compounds were also evaluated for their in vitro antibacterial activity and amongst them compound 8k has shown moderate activity against both gram-negative and gram-positive bacterial strains.}, doi = {10.1080/00397911.2018.1564928}, author = {Deshmukh, A. R. and Dhumal, S. T. and Nawale, L. U. and Khedkar, V. M. and Sarkar, D. and Mane, R. A.} } @article {46104, title = {Direct thermal polymerization approach to N-rich holey carbon nitride nanosheets and their promising photocatalytic H-2 evolution and charge-storage activities}, journal = {ACS Sustainable Chemistry \& Engineering}, volume = {7}, year = {2019}, month = {MAY }, pages = {9428-9438}, type = {Article}, abstract = {

Energy conversion and energy storage are two crucial challenges in green chemistry that have attracted tremendous attention for the last several decades. In this work, we have addressed both issues by synthesizing nitrogen-rich, few-layer-thick holey graphitic carbon nitride (g-C3N4) nanosheets by a simple, novel, direct thermal polymerization method, which is found to be very good in photocatalytic H-2 evolution reaction (energy-conversion) and charge-storage supercapacitor (energy-storage) applications. This as-synthesized conjugated polymer semiconductor (obtained stoichiometry C3N4.8) with unique structural and morphological advantages exhibits superior photocatalytic water splitting activity to H-2 evolution (2 620 mu mol h(-1) g(-1)) without the help of any cocatalysts under visible light in the presence of 20\% triethanolamine (TEOA). The calculated apparent quantum yield is 8.5\% at 427 nm, and the rate of photocatalytic hydrogen generation remained constant for nine consecutive catalytic cycles (9 h photocatalysis). The present material also shows electrochemical double layer capacitor (EDLC) behavior in alkaline electrolyte, where a symmetric coin cell device consisting of this electrode material without any large area support or conductive filler delivers high specific capacitance (275 F g(-1)), energy density (30 Wh kg(-1)), and power density (6651 W kg(-1)), and the supercapacitor cell can retain \>98\% capacitance efficiency up to 10 000 measured cycles at various current densities.

}, keywords = {g-C3N4, Hydrogen evolution, nanosheets, Photocatalyst, supercapacitor, water splitting}, issn = {2168-0485}, doi = {10.1021/acssuschemeng.9b00626}, author = {Antil, Bindu and Kumar, Lakshya and Reddy, K. P. and Gopinath, C. S. and Deka, Sasanka} } @inbook {47468, title = {Distribution and bioprospecting potential of actinobacteria from Indian mangrove ecosystems}, booktitle = {Microbial Diversity in Ecosystem Sustainability and Biotechnological Applications}, year = {2019}, pages = {319-353}, publisher = {Springer, Singapore}, organization = {Springer, Singapore}, abstract = {Actinobacteria are the ecologically and economically important prokaryotes with the unprecedented ability to produce novel metabolites. They are widely distributed in nature due to their physiological and metabolic versatility. Actinobacteria from marine ecosystem are recognized as a promising source for novel bioactive metabolites. Notably, mangroves are the most fertile and productive marine ecosystem due to their ecophysiological conditions and vast microbial diversity. At the global level, there are many novel actinobacteria which have been reported from mangrove ecosystems and also explored for their bioprospecting potential. However, in India, microbiologists have explored actinobacteria from selected mangrove ecosystems for the past five decades with special reference to culturable diversity and antimicrobial, antimycobacterial, anticancer, and enzymatic activities. So far, around 22 rare actinobacterial genera have been reported from the Indian mangrove ecosystems. However, several other novel actinobacteria with promising bioprospecting potential are yet to be explored. Hence, research on actinobacteria in the Indian mangrove ecosystem is still in its infancy. This chapter will describe the exploratory research work carried out on the importance, diversity, antimicrobial and enzymatic activity, biodegradation, and nanotechnological potency of actinobacteria from the Indian mangrove ecosystems. This chapter will enable researchers to identify the gaps to be bridged for further research on Indian mangrove actinobacteria and exploit their potential to the maximum benefit to mankind.}, isbn = {978-981-13-8315-1}, doi = {10.1007/978-981-13-8315-1_11}, author = {Manikkam, Radhakrishnan and Pati, Premalata and Thangavel, Shanmugasundaram and Venugopal, Gopikrishnan and Joseph, Jerrine and Ramasamy, Balagurunathan and Dastager, Syed G.} } @article {47167, title = {Draft genome sequence of freshwater-derived streptomyces sp. strain BPSDS2, isolated from damte stream, northeast India}, journal = {American Society for Microbiology}, year = {2019}, month = {OCT}, type = {Article}, abstract = {

We report the draft genome sequence of Streptomyces sp. strain BPSDS2, isolated from freshwater sediments in Northeast India. The draft genome has a size of 8.27 Mb and 7,559 protein-coding sequences.

}, doi = {10.1128/MRA.00874-19}, author = {Zothanpuia and Passari, Ajit Kumar and Deka, Vinay and Rajput, Lakshmi P. M. and Priya, Purbajyoti and Dharne, Mahesh and Dastager, Syed and Mathew, Oommen K. and Hashem, Abeer and Abd_ Allah, Elsayed Fathi and Singh, Bhim Pratap} } @article {47496, title = {Efficient and cost effective synthesis of acetamides catalyzed by calcium chloride}, journal = {Indian Journal of Chemistry Section B-Organic Chemistry Including Medicinal Chemistry}, volume = {58}, year = {2019}, month = {OCT}, pages = {1125-1130}, type = {Article}, abstract = {CaCl2 has been found to be an efficient and cost effective catalyst for the rapid synthesis of acetamides in high yields. The use of stoichiometric quantities of acetic anhydride under solvent free conditions without any additional chromatographic purifications makes this protocol a safe alternative to the existing methods.}, keywords = {Acetamide, acetylation, Acylation, Amine, CaCl2}, issn = {0376-4699}, author = {Sangole, M. T. and Thorat, S. M. and Shirsath, S. and Deshmukh, S. P. and Muthukrishnan, M. and Mujahid, M.} } @article {46446, title = {Electrocatalysis of oxygen reduction reaction on shape-controlled pt and pd nanoparticles-importance of surface cleanliness and reconstruction}, journal = {Frontiers in Chemistry}, volume = {7}, year = {2019}, month = {OCT}, pages = {648}, type = {Review}, abstract = {

Shape-controlled precious metal nanoparticles have attracted significant research interest in the recent past due to their fundamental and scientific importance. Because of their crystallographic-orientation-dependent properties, these metal nanoparticles have tremendous implications in electrocatalysis. This review aims to discuss the strategies for synthesis of shape-controlled platinum (Pt) and palladium (Pd) nanoparticles and procedures for the surfactant removal, without compromising their surface structural integrity. In particular, the electrocatalysis of oxygen reduction reaction (ORR) on shape-controlled nanoparticles (Pt and Pd) is discussed and the results are analyzed in the context of that reported with single crystal electrodes. Accepted theories on the stability of precious metal nanoparticle surfaces under electrochemical conditions are revisited. Dissolution, reconstruction, and comprehensive views on the factors that contribute to the loss of electrochemically active surface area (ESA) of nanoparticles leading to an inevitable decrease in ORR activity are presented. The contribution of adsorbed electrolyte anions, in-situ generated adsorbates and contaminants toward the ESA reduction are also discussed. Methods for the revival of activity of surfaces contaminated with adsorbed impurities without perturbing the surface structure and its implications to electrocatalysis are reviewed.

}, keywords = {Adsorption, Dissolution, oxygen reduction reaction, Palladium, platinum, reconstruction, shape-control, surface cleaning}, issn = {2296-2646}, doi = {10.3389/fchem.2019.00648}, author = {Devivaraprasad, Ruttala and Nalajala, Naresh and Bera, Bapi and Neergat, Manoj} } @article {46253, title = {Electron crystallography}, journal = {IUCRJ}, volume = {6}, year = {2019}, month = {SEP}, pages = {786-787}, type = {Article}, doi = {10.1107/S2052252519011497}, author = {Blake, Alexander J. and de Boissieu, Marc and Nangia, Ashwini} } @article {46090, title = {Embedding S=1/2 Kagome-like lattice in reduced graphene oxide}, journal = {Journal of Physical Chemistry Letters}, volume = {10}, year = {2019}, month = {JUN }, pages = {2663-2668}, type = {Article}, abstract = {

An elegant platform to explore frustrated magnetism is the kagome spin lattice. In this work, clinoatacamite, a naturally occurring S = 1/2 kagome-like antiferromagnetic insulator, is synthesized in water at ambient pressure for the first time from a cuprous chloride (CuCl) precursor whereby Cu(I) was spontaneously oxidized to Cu(II) in the form of clinoatacamite [Cu-2(OH)(3)Cl] with a simultaneous reduction of graphene oxide (GO) to reduced graphene oxide (rGO) in one pot. A stable nanocomposite of phase-pure clinoatacamite nanocrystals embedded in the rGO matrix was isolated. The clinoatacamite-rGO nanocomposite was determined to be magnetically active with a markedly enhanced coercive field of similar to 2500 Oe at S K as well as electronically active with a conductivity value of similar to 200 S.m(-1) at 300 K. Our results illustrate an avenue of combining exotic magnetic and electronic lattices without impeding their individual characteristics and synergistically generating a new class of magnetic semiconductors.

}, issn = {1948-7185}, doi = {10.1021/acs.jpclett.9b00839}, author = {Gupta, Kriti and Jha, Plawan Kumar and Dadwal, Arun and Debnath, Anil K. and Jaiswal, Ishan and Rana, Shammi and Joy, Pattayil A. and Ballav, Nirmalya} } @article {46213, title = {Enhancing epi-cedrol production in escherichia coli by fusion expression of farnesyl pyrophosphate synthase and epi-cedrol synthase}, journal = {Engineering in Life Science }, year = {2019}, month = {JULY}, type = {Article}, abstract = {

Terpene synthase catalyses acyclic diphosphate farnesyl diphosphate into desired sesquiterpenes. In this study, a fusion enzyme was constructed by linking Santalum album farnesyl pyrophosphate synthase (SaFPPS) individually with terpene synthase and Artemisia annua Epi-cedrol synthase (AaECS). The stop codon at the N-terminus of SaFPPS was removed and replaced by a short peptide (GSGGS) to introduce a linker between the two open reading frames. This fusion clone was expressed in Escherichia coli Rosseta DE3 cells. The fusion enzyme FPPS-ECS produced sesquiterpene 8-epi-cedrol from substrates isopentenyl pyrophosphate and dimethylallyl pyrophosphate through sequential reactions. The K-m values for FPPS-ECS for isopentyl diphosphate was 4.71 mu M. The fusion enzyme carried out the efficient conversion of IPP to epi-cedrol, in comparison to single enzymes SaFPPS and AaECS when combined together in enzyme assay over time. Further, the recombinant E. coli BL21 strain harbouring fusion plasmid successfully produced epi-cedrol in fermentation medium. The strain having fusion plasmid (pET32a-FPPS-ECS) produced 1.084 +/- 0.09 mg/L epi-cedrol, while the strain harbouring mixed plasmid (pRSETB-FPPS and pET28a-ECS) showed 1.002 +/- 0.07 mg/L titre in fermentation medium by overexpression and MEP pathway utilization. Structural analysis was done by I-TASSER server and docking was done by AutoDock Vina software, which suggested that secondary structure of the N- C terminal domain and their relative positions to functional domains of the fusion enzyme was greatly significant to the catalytic properties of the fusion enzymatic complex than individual enzymes.

}, doi = {10.1002/elsc.201900103}, author = {Navale, Govinda R and Sharma, Poojadevi and Said, Madhukar S and Ramkumar, Sudha and Dharne, Mahesh S and Thulasiram, H., V and Shinde, Sandip S} } @article {46298, title = {Estrogen receptor activation in response to Azadirachtin A stimulates osteoblast differentiation and bone formation in mice}, journal = {Journal of Cellular Physiology}, volume = {234}, year = {2019}, month = {DEC}, pages = {23719-23735}, type = {Article}, abstract = {

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

}, keywords = {ALP, Gene expression, micro-CT, mineralization, osteoblast cells}, issn = {0021-9541}, doi = {10.1002/jcp.28940}, author = {Kushwaha, Priyanka and Ahmad, Naseer and Dhar, V. Yogeshwar and Verma, Ashwni and Haldar, Saikat and Mulani, Fayaj A. and Trivedi, Prabodh K. and Mishra, Prabhat R. and Thulasiram, V. Hirekodathakallu and Trivedi, Ritu} } @article {47175, title = {Experimental investigation on performance of helical spring lock washer under different operating conditions}, journal = {Journal of Failure Analysis and Prevention}, volume = {19}, year = {2019}, month = {JUL}, pages = {992{\textendash}1000}, type = {Article}, abstract = {

In mechanical systems, emphasis has been given to the selection and health monitoring of both bolt and nut in the bolted joint assembly; less attention has been given to the performance of spring washers due to tightening torque, usage duration and reuse. In the present experimental investigation, the load{\textendash}deflection characteristics of helical spring lock (HSL) washer during compressive loading and unloading are determined using newly designed and developed test rig. Also, the load{\textendash}deflection characteristics of the HSL washers are examined for reuse cycles. Additionally, the effect of compressive loading and unloading on the reaction load within elastic limit is determined. Further, the loss of helix height due to compressive loading and its effect on strain energy is examined. The tests have evidenced of loss of helix height and strain energy of HSL washer due to compressive loading which deteriorates its functionality in further usage.

}, doi = {10.1007/s11668-019-00685-z}, author = {Wagh, Hemant Krishnarao and Desale, Girish R.} } @article {46017, title = {Fine-tuning of Terahertz resonances in hydrogen-bonded organic molecular complexes}, journal = {Journal of Molecular Structure}, volume = {1184}, year = {2019}, month = {MAY}, pages = {495-502}, type = {Article}, abstract = {

Novel organic molecular complexes have been designed and synthesized to obtain prominent Terahertz (THz) resonances in the low-frequency region. Intermolecular hydrogen bonds give rise to low-frequency THz resonances and hence binary organic molecular complexes of pyridyl alkylamide/benzamide (DAP) and hexyl thymine (C6THY) with multiple strong intermolecular hydrogen bonds (N-H{\textendash}-O and N-H{\textendash}-N) are designed and synthesized. THz resonances of the complexes are fine-tuned by varying the number of benzene rings in the DAP moiety (PrDAP + C6THY, PrPhDAP + C6THY and PhDAP + C6THY). DFT simulation studies of two molecule clusters have been carried out to understand the origin of low-frequency THz resonances. It has been observed that the lowest THz resonances (\< 2 THz) originate due to translation/rotation of the whole crystal structure and the resonances from 2 to 4 THz are mainly due to intermolecular hydrogen bond bending/stretching vibrations. In order to understand the individual hydrogen bond strengths, compliance constants, which are inverse of the force constants are calculated and Natural Bond Orbital (NBO) analysis has been carried out. Comparison of the experimental THz spectra of different complexes shows that there is a small but tunable variation in THz resonances from one complex to another. Tuning of THz resonances has potential applications in designing THz tags, which can be used in various anti-counterfeiting applications such as currency notes, pharmaceutical tablets. (C) 2019 Elsevier B.V. All rights reserved.

}, keywords = {Compliance constant, Natural bond orbital analysis, Organic molecular complex, Terahertz spectroscopy}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2019.02.002}, author = {Dash, Jyotirmayee and Ray, Shaumik and Devi, Nirmala and Basutkar, Nitin and Ambade, Ashootosh V. and Pesala, Bala} } @article {46054, title = {Flower bud proteome reveals modulation of sex-biased proteins potentially associated with sex expression and modification in dioecious Coccinia grandis}, journal = {BMC Plant Biology}, volume = {19}, year = {2019}, month = {JUL}, pages = {330}, type = {Article}, abstract = {

BackgroundDioecy is an important sexual system wherein, male and female flowers are borne on separate unisexual plants. Knowledge of sex-related differences can enhance our understanding in molecular and developmental processes leading to unisexual flower development. Coccinia grandis is a dioecious species belonging to Cucurbitaceae, a family well-known for diverse sexual forms. Male and female plants have 22A+XY and 22A+XX chromosomes, respectively. Previously, we have reported a gynomonoecious form (22A+XX) of C. grandis bearing morphologically hermaphrodite flowers (GyM-H) and female flowers (GyM-F). Also, we have showed that foliar spray of AgNO3 on female plant induces morphologically hermaphrodite bud development (Ag-H) despite the absence of Y-chromosome.ResultsTo identify sex-related differences, total proteomes from male, female, GyM-H and Ag-H flower buds at early and middle stages of development were analysed by label-free proteomics. Protein search against the cucumber protein sequences (Phytozome) as well as in silico translated C. grandis flower bud transcriptome database, resulted in the identification of 2426 and 3385 proteins (FDR \<= 1\%), respectively. The latter database was chosen for further analysis as it led to the detection of higher number of proteins. Identified proteins were annotated using BLAST2GO pipeline. SWATH-MS-based comparative abundance analysis between Female_Early_vs_Male_Early, Ag_Early_vs_Female_Early, GyM-H_Middle_vs_Male_Middle and Ag_Middle_vs_ Male_Middle led to the identification of 650, 1108, 905 and 805 differentially expressed proteins, respectively, at fold change \>= 1.5 and P \<= 0.05. Ethylene biosynthesis-related candidates as highlighted in protein interaction network were upregulated in female buds compared to male buds. AgNO3 treatment on female plant induced proteins related to pollen development in Ag-H buds. Additionally, a few proteins governing pollen germination and tube growth were highly enriched in male buds compared to Ag-H and GyM-H buds.ConclusionOverall, current proteomic analysis provides insights in the identification of key proteins governing dioecy and unisexual flower development in cucurbitaceae, the second largest horticultural family in terms of economic importance. Also, our results suggest that the ethylene-mediated stamen inhibition might be conserved in dioecious C. grandis similar to its monoecious cucurbit relatives. Further, male-biased proteins associated with pollen germination and tube growth identified here can help in understanding pollen fertility.

}, keywords = {Coccinia grandis, Dioecy, Pollen fertility, proteomics, Sex modification, Stamen arrest}, issn = {1471-2229}, doi = {10.1186/s12870-019-1937-1}, author = {Devani, Ravi Suresh and Chirmade, Tejas and Sinha, Sangram and Bendahmane, Abdelhafid and Dholakia, Bhushan B. and Banerjee, Anjan Kumar and Banerjee, Jayeeta} } @article {46082, title = {Fluorogenic BODIPY molecular rotor as an apoptosis marker}, journal = {Chemical Communications}, volume = {55}, year = {2019}, month = {JUN }, pages = {6902-6905}, type = {Article}, abstract = {

Based on a BODIPY molecular rotor and a zinc-dipicolylamine receptor, we designed a fluorogenic probe for the detection of apoptosis. Being poorly emissive in solution and with healthy cells, it selectively binds phosphatidylserine of early apoptotic cells and internalizes into late apoptotic cells, lighting up its green fluorescence.

}, issn = {1359-7345}, doi = {10.1039/c9cc03242h}, author = {Ashokkumar, Pichandi and Ashoka, Anila Hoskere and Collot, Mayeul and Das, Amitava and Klymchenko, Andrey S.} } @article {46424, title = {Formic-acid-induced using recyclable-ionic liquids as catalysts for lignin conversion into aromatic co-products}, journal = {Waste and Biomass Valorization}, year = {2019}, month = {NOV}, type = {Article; Early Access}, abstract = {

Lignin has been widely named as a sustainable and renewable bioresource of energy, fuels, chemicals and materials, particularly phenolic chemicals production on Earth. These bio-derived compounds are in great potential need of biorefinery to valorize complete plant biomass. Lignin depolymerization showed a great promise approach to convert into low molecular aromatic products. In this report, high molecular weight (54,000 Da) lignin depolymerization into maximum yields (87\%), (\>= 95 +/- 6\% mass balance) using a formic acid along with dual (-SO3H) functionalized imidazole-based recyclable (4 times) Bronsted acidic ionic liquids (BAILs) as catalysts have been investigated in H2O-CH3OH (1:5, v/v) at 120 degrees C for 1 h. The structural correlations between the lignin and aromatic products were studied by bulk (CHNS, GPC, etc.) and molecular (UV-Vis, FT-IR, NMR (1D/2D) levels experimental techniques. Additionally, the identification of aromatic products was carried out by applying HPLC, GC and GC-MS techniques. Graphic Addition of a formic acid into Bronsted acidic ionic liquids improved the catalytic efficiency significantly for lignin depolymerization into 87\% low molecular weight aromatic products. [GRAPHICS] .

}, keywords = {Bulk and molecular levels analysis, depolymerization, Dual functionalized ionic liquids, Formic acid, lignin}, issn = {1877-2641}, doi = {10.1007/s12649-019-00896-3}, author = {Singh, Sandip K. and Dhepe, Paresh L.} } @article {46067, title = {Friction-mediated flow and jamming in a two-dimensional silo with two exit orifices}, journal = {Physical Review E}, volume = {100}, year = {2019}, month = {JUL }, pages = {012901}, type = {Article}, abstract = {

We show that the interparticle friction coefficient significantly influences the flow and jamming behavior of granular materials exiting through the orifice of a two-dimensional silo in the presence of another orifice located in its vicinity. The fluctuations emanating from a continuous flow through a larger orifice results in an intermittent flow through the smaller orifice consisting of sequential jamming and flowing events. The mean time duration of jammed and flow events, respectively, increase and decrease monotonically with increasing interparticle friction coefficient. The frequency of unjamming instances (n(u)), however, shows a nonmonotonic behavior comprising an increase followed by a decrease with increasing friction coefficient. The decrease on either side of the maximum, then, represents a system moving progressively towards a permanently jammed or a permanently flowing state. The overall behavior shows a systematic dependence on the interorifice distance, which determines the strength of the fluctuations reaching the smaller orifice leading to unjamming instances. The probability distributions of jamming and flowing times are nearly similar for different combinations of friction coefficients and interorifice distances studied and, respectively, exhibit exponential and power-law tails.

}, issn = {2470-0045}, doi = {10.1103/PhysRevE.100.012901}, author = {Orpe, Ashish V. and Doshi, Pankaj} } @article {46048, title = {Glycerol acetylation considering competing dimerization}, journal = {International Journal of Chemical Kinetics}, volume = {51}, year = {2019}, month = {AUG}, pages = {634-640}, type = {Editorial Material}, abstract = {

Glycerol acetylation is a very interesting reaction for studies of consecutive kinetics. In this short communication, we present a pseudo-homogeneous model for the synthesis of triacetyl glycerol from the reaction of glycerol and acetic acid over strongly acidic Amberlyst-15 and Amberlyst-70 catalysts, considering a dimerization of diacetyl glycerol (DAG) into diglycerol tetraacetate as a parallel reaction and compare the results with a model without side reactions. The best fits were obtained for apparent zeroth-order dimerization and first-order consecutive reactions in the presence of acetic acid in excess and with removal of water. An adaptation was made for DAG. The proposed model shows that the formation of DAG is faster than the consumption of glycerol, which could be an explanation for the occurrence of DAG dimerization instead of other parallel reactions in acetylation.

}, keywords = {apparent kinetics, diacetyl glycerol dimerization, glycerol acetylation}, issn = {0538-8066}, doi = {10.1002/kin.21282}, author = {Soares, Andre V. -H. and Kale, Sumeet S. and Armbruster, Udo and Passos, Fabio B. and Umbarkar, Shubhangi B. and Dongare, Mohan K. and Martin, Andreas} } @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 {46101, title = {High-energy flexible supercapacitor-synergistic effects of polyhydroquinone and RuO2 center dot xH(2)O with microsized, few-layered, self-supportive exfoliated-graphite sheets}, journal = {ACS Applied Materials \& Interfaces}, volume = {11}, year = {2019}, month = {MAY }, pages = {18349-18360}, type = {Article}, abstract = {

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

}, keywords = {graphite exfoliation, polyhydroquinone, ruthenium oxide, solid-state flexible supercapacitor, Ternary Composite}, issn = {1944-8244}, doi = {10.1021/acsami.9b01712}, author = {Muniraj, Vedi Kuyil Azhagan and Dwivedi, Pravin Kumari and Tamhane, Parikshit Shivaji and Szunerits, Sabine and Boukherroub, Rabah and Shelke, Manjusha Vilas} } @article {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 {45619, title = {Highly efficient rhodium-phosphite catalyzed hydroformylation of camphene and other terpenes}, journal = {Asian Journal of Chemistry}, volume = {31}, year = {2019}, month = {JAN}, pages = {213-219}, type = {Article}, doi = {10.14233/ajchem.2019.21656}, author = {Pagar, N. S. and Deshpande, R. M.} } @article {46441, title = {Hydrocarbon chain-length dependence of solvation dynamics in alcohol-based deep eutectic solvents: a two-dimensional infrared spectroscopic investigation}, journal = {Journal of Physical Chemistry B}, volume = {123}, year = {2019}, month = {NOV}, pages = {9355-9363}, type = {Article}, abstract = {

Deep eutectic solvents (DESs) have gained popularity in recent years as an environmentally benign, inexpensive alternative to organic solvents for diverse applications in chemistry and biology. Among them, alcohol-based DESs serve as useful media in various applications due to their significantly low viscosity as compared to other DESs. Despite their importance as media, little is known how their solvation dynamics change as a function of the hydrocarbon chain length of the alcohol constituent. In order to obtain insights into the chain-length dependence of the solvation dynamics, we have performed two-dimensional infrared spectroscopy on three alcohol-based DESs by systematically varying the hydrocarbon chain length. The results reveal that the solvent dynamics slows down monotonically with an increase in the chain length. This increase in the dynamic timescales also shows a strong correlation with the concomitant increase in the viscosity of DESs. In addition, we have performed molecular dynamics simulations to compare with the experimental results, thereby testing the capacity of simulations to determine the amplitudes and timescales of the structural fluctuations on fast timescales under thermal equilibrium conditions.

}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.9b08954}, author = {Chatterjee, Srijan and Ghosh, Deborin and Haldar, Tapas and Deb, Pranab and Sakpal, Sushil S. and Deshmukh, Samadhan H. and Kashid, Somnath M. and Bagchi, Sayan} } @article {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 {46341, title = {Hydrogen bond assisted photoinduced intramolecular electron transfer and proton coupled electron transfer in an ultrafast time domain using a ruthenium-anthraquinone dyad}, journal = {Photochemical \& Photobiological Sciences}, volume = {18}, year = {2019}, month = {OCT }, pages = {2430-2441}, type = {Article}, abstract = {

Quinones play a significant role as primary electron acceptors in the natural photosynthetic system of photosystem II, and their reduction is known to be facilitated by hydrogen-bond donors or protonation. In this study, a ruthenium(ii) polypyridyl complex 1 coupled to an anthraquinone (AQ) functionality through a rigid imidazole (Im) spacer has been synthesized to examine the effect of H-bonding on both the thermal and photoinduced electron transfer reactions. The anthraquinone moiety of complex 1 is fused to a benzi-imidazole system bearing C \& xe001;(OMIDLINE)-M-AQ HORIZONTAL ELLIPSISHNIm based H-bonding at one side of the anthraquinone moiety so that intramolecular hydrogen bonding from the imidazole group to the nearby quinone carbonyl can occur. The hydrogen bond formation involving the semiquinone radical anion produced through the photoinduced reduction process in Ru-im-AQ and the imidazole proton in complex 1 resulted in a significant positive shift of one electron reduction potential of complex 1. The kinetics for the formation of the charge-separated states was explored by using femtosecond transient absorption spectroscopy. Hydrogen bonding between water and the reduced anthraquinone accounted for thermodynamic and kinetic stabilization of these charge-separated states. An attempt has been made to assess the relative importance of the driving force and solvent polarity, in the rates of photoinduced electron transfer in complex 1. The 490 nm transient absorption band of anthraquinone radical anions (AQ(-)) and a broad absorption in the 580-750 nm region having maxima at similar to 690 nm have been observed and this is attributed to the generation of a transient Ru3+-species of the corresponding complex 1. Addition of water entails an acceleration of electron transfer rates by a factor of 3.33. The system investigated may serve as a model for the mechanistic diversity of PCET reactions in general with water as a primary proton donor. Furthermore, our studies are relevant for understanding proton-coupled electron transfer (PCET) reactivity of electronically excited states at a fundamental level because changes in hydrogen-bonding strength accompanying changes in redox states may be regarded as a variant form of PCET.

}, issn = {1474-905X}, doi = {10.1039/c9pp00135b}, author = {Dey, Ananta and Dana, Jayanta and Aute, Sunil and Das, Amitava and Ghosh, Hirendra N.} } @article {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 {46019, title = {Inducing disorder in order: hierarchically porous covalent organic framework nanostructures for rapid removal of persistent organic pollutants}, journal = {Journal of the American Chemical Society}, volume = {141}, year = {2019}, month = {MAY }, pages = {7572-7581}, type = {Article}, abstract = {

The key factor responsible for fast diffusion and mass transfer through a porous material is the availability of a widely open pore interior having complete accessibility from their surface. However, because of their highly stacked nature, ordered two-dimensional (2D) materials fail to find real-world applicability, as it is difficult to take advantage of their complete structure, especially the inner cores. In this regard, three-dimensional (3D) nanostructures constructed from layered two-dimensional crystallites could prove to be advantageous. However, the real challenge is to cultivate a porous nanostructure with ordered pores where the pores are surrounded by crystalline walls. Herein, a simple yet versatile in situ gas-phase foaming technique has been employed to address these cardinal issues. The use of baking soda leads to the continuous effervescence of CO2 during the crystallization of foam, which creates ripples and fluctuations on the surface of the 2D crystallites. The induction of ordered micropores within the disordered 3D architecture synergistically renders fast diffusion of various guests through the interconnected pore network. The high-density defects in the hierarchically porous structure help in ultrafast adsorption (\<10 s) of various pollutants (removal efficiency of 99\%) from water, all of which would lead to significant environmental benefit. The pseudo-second-order rate constant for the BPA pollutant is 182.3 g mg(-1) min(-1), which is the highest among all the literature reports to date. The high removal efficiency (highest efficiency of 94\% and average efficiency of 70\%) of a persistent organic pollutant has been attended for the first time.

}, issn = {0002-7863}, doi = {10.1021/jacs.9b02706}, author = {Karak, Suvendu and Dey, Kaushik and Torris, Arun and Halder, Arjun and Bera, Saibal and Kanheerampockil, Fayis and Banerjee, Rahul} } @article {46276, title = {Insights into the origin of life: did it begin from HCN and H2O?}, journal = {Acs Central Science}, volume = {5}, year = {2019}, month = {SEP}, pages = {1532-1540}, type = {Article}, abstract = {

The seminal Urey-Miller experiments showed that molecules crucial to life such as HCN could have formed in the reducing atmosphere of the Hadean Earth and then dissolved in the oceans. Subsequent proponents of the "RNA World" hypothesis have shown aqueous HCN to be the starting point for the formation of the precursors of RNA and proteins. However, the conditions of early Earth suggest that aqueous HCN would have had to react under a significant number of constraints. Therefore, given the limiting conditions, could RNA and protein precursors still have formed from aqueous HCN? If so, what mechanistic routes would have been followed? The current computational study, with the aid of the ab initio nanoreactor (AINR), a powerful new tool in computational chemistry, addresses these crucial questions. Gratifyingly, not only do the results from the AINR approach show that aqueous HCN could indeed have been the source of RNA and protein precursors, but they also indicate that just the interaction of HCN with water would have sufficed to begin a series of reactions leading to the precursors. The current work therefore provides important missing links in the story of prebiotic chemistry and charts the road from aqueous HCN to the precursors of RNA and proteins.

}, doi = {10.1021/acscentsci.9b00520}, author = {Das, Tamal and Ghule, Siddharth and Vanka, Kumar} } @article {46305, title = {In-situ generated Mn3O4-reduced graphene oxide nanocomposite for oxygen reduction reaction and isolated reduced graphene oxide for supercapacitor applications}, journal = {Carbon}, volume = {154}, year = {2019}, month = {DEC}, pages = {285-291}, type = {Article}, abstract = {

We have generated in situ nanocomposite of Mn3O4 and reduced graphene oxide (rGO) upon employing wet-chemical reduction of graphene oxide (GO) by Mn(II) salt as mild-reducing agent for the first time and examined the oxygen reduction reaction (ORR) activity in 0.1 M KOH electrolyte. The half-wave potential (E-1/2) of the nanocomposite catalyst (20\% Mn3O4-rGO/C) was found to be around -0.153 V which is only similar to 87 mV negative from the commercially available catalyst (20\% Pt/C). Remarkably, after 5000 linear sweep voltammetry cycles the E-1/2 shifted marginally by 20 mV; and the number of electrons transferred during ORR was estimated to be close to 4. Such an efficient electrocatalytic performance of the nanocomposite was primarily attributed to the synergistic interaction between Mn3O4 and rGO. The fabricated all-solid-state supercapacitor of rGO (extracted from the nanocomposite) in aqueous polyvinyl alcohol-sulfuric acid (PVA-H2SO4) gel polymer electrolyte (GPE) showed C-s value of similar to 310 F/g at a current density of 1 A/g along with long durability (10,000 charge-discharge cycles). All-solid-state flexible rGO supercapacitor exhibited high-flexibility and excellent durability (30,000 cycles with 100\% retention of C-s). Our results provide an enormous opportunity in designing transition metal oxides decorated semiconducting reduced graphene oxide nanocomposite platforms for various electrochemical applications. (C) 2019 Elsevier Ltd. All rights reserved.

}, issn = {0008-6223}, doi = {10.1016/j.carbon.2019.08.012}, author = {Jha, Plawan Kumar and Kashyap, Varchaswal and Gupta, Kriti and Kumar, Vikash and Debnath, Anil Krishna and Roy, Debashree and Rana, Shammi and Kurungot, Sreekumar and Ballav, Nirmalya} } @article {45489, title = {Kinetics of hydroformylation of 1-decene using carbon-supported ossified HRh(CO)(TPPTS)(3) catalyst}, journal = {International Journal of Chemical Kinetics}, volume = {51}, year = {2019}, month = {FEB}, pages = {112-122}, type = {Article}, abstract = {

The kinetics of hydroformylation of 1-decene has been investigated using a carbon-supported ossified HRh(CO)(TPPTS)(3)/Ba catalyst in a temperature range of 343-363 K. The effect of concentration of 1-decene, catalyst loading, partial pressure of H-2 and CO, and stirring speed on the reaction rate has been investigated. A first-order dependence was observed for catalyst concentration and hydrogen partial pressure. The rate showed a typical case of substrate inhibition for high 1-decene concentration. The rate varied with a linear dependence on P-CO up to a CO partial pressure of 5-6 MPa in contrast to the general trends; for most of the rhodium-phosphine catalyzed hydroformylation reactions, severe inhibition of rate is observed with an increase in CO pressure. A rate equation has been proposed, which was found to be in good agreement with the observed rate data within the limit of experimental errors. The kinetic parameters and activation energy values have been reported.

}, keywords = {1-decene, Hydroformylation, kinetics, ossification, supported ossified}, issn = {0538-8066}, doi = {10.1002/kin.21234}, author = {Pagar, Nitin S. and Deshpande, Raj M.} } @article {46338, title = {Ligand-enabled gold-catalyzed C(sp(2))-n cross-coupling reactions of aryl iodides with amines}, journal = {Organic Letters}, volume = {21}, year = {2019}, month = {OCT }, pages = {8101-8105}, type = {Article}, abstract = {

The first example of ancillary (P,N)-ligand-enabled gold-catalyzed C-N cross-coupling reactions of aryl iodides with amines is reported. The high generality of the reaction in de novo synthesis, late-stage modifications, and cascade processes to access functionalized indolinones and carbazoles underscores the synthetic potential of the presented strategy. Monitoring the reaction with ESI-HRMS and NMR provided strong evidence for the in situ formation of putative high valent Au(III) intermediates.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.9b03082}, author = {Akram, Manjur O. and Das, Avishek and Chakrabarty, Indradweep and Patil, Nitin T.} } @article {45611, title = {Light-triggered, spatially localized chemistry by photoinduced electron transfer}, journal = {Angewandte Chemie-International Edition}, volume = {58}, year = {2019}, month = {FEB}, pages = {2715-2719}, type = {Article}, abstract = {

It is of immense interest to exert spatial and temporal control of chemical reactions. It is now demonstrated that irradiation can trigger reactions specifically at the surface of a simple colloidal construct, obtained by adsorbing polyethyleneimine on fluorescent colloidal particles. Exciting the fluorescent dye in the colloid affords photoinduced electron transfer to spatially proximal amine groups on the adsorbed polymer to form free radical ions. It is demonstrated that these can be harnessed to polymerize acrylic acid monomer at the particle surface, or to break up colloidal assemblies by cleaving a cross-linked polymer mesh. Formation of free radical ions is not a function of the size of the colloid, neither is it restricted to a specific fluorophore. Fluorophores with redox potentials that allow photoinduced electron transfer with amine groups show formation of free radical ions.

}, doi = {10.1002/anie.201812700}, author = {Usgaonkar, S. and Deshmukh, S. and Biswas, B. and Karjule, N. and Yadav, P. and Nithyanandhan, J. and Kumaraswamy, G.} } @article {46426, title = {Lignin conversion using catalytic ionic liquids: understanding the role of cations, anions, and hammett acidity functions}, journal = {Industrial \& Engineering Chemistry Research}, volume = {58}, year = {2019}, month = {NOV }, pages = {21273-21284}, type = {Article}, abstract = {

Because it is undisputable that lignin depolymerization is a must to make the biorefinery concept economically feasible, several efforts are put toward it; however, a lot of catalyst designing is required to achieve efficient depolymerization activities. In this work, we show a systematic approach in the synthesis and characterization of ionic liquids (ILs) with varying combinations of cations (imidazole, benzimidazole, phosphonium, and ammonium) and anions (HSO4, PTS (p-toluenesulfonate), Cl, H2PO4, SnCl3, FeCl4, and CuCl3) for the depolymerization of lignin into low-molecular weight aromatic fractions (\<220 g/mol) under mild reaction conditions (120 degrees C, 1 h, ambient pressure). In a methodical approach, effects of various reaction parameters such as temperature (70-170 degrees C), time (15-360 min), pressure (N-2, 0.5-3 MPa), solvents and substrate, and so forth were studied to achieve best activity. Among all the catalysts, IL with the imidazolium cation and HSO4 as the anion showed best activity (78\% yield). Subsequent to depolymerization, three aromatic monomers (5 wt \% pure vanillin) were isolated using flash column chromatography. These aromatic monomers were characterized using gas chromatography (GC), GC-mass spectrometry, and NMR techniques for their purity. Hammett acidity functions (H-0) of ILs were measured using UV-vis photo-spectroscopy, and values are correlated with lignin depolymerization results. Lignin and tetrahydrofuran-soluble products were thoroughly characterized using assorted physicochemical techniques such as NMR (H-1 and C-13), gel permittivity chromatography, thermogravimetric analysis, and so forth. The catalyst was recycled up to six runs and showed similar results in consecutive reactions.

}, issn = {0888-5885}, doi = {10.1021/acs.iecr.9b03375}, author = {Singh, Sandip K. and Dhepe, Paresh L.} } @article {46289, title = {Lithium compounds as single site catalysts for hydroboration of alkenes and alkynes}, journal = {Chemical Communications}, volume = {55}, year = {2019}, month = {OCT }, pages = {11711-11714}, type = {Article}, abstract = {

The hydroboration of alkenes and alkynes using easily accessible lithium compounds [2,6-di-tert-butyl phenolatelithium (1a) and 1,1 {\textquoteleft} dilithioferrocene (1b)] has been achieved with good yields, high functional group tolerance and excellent chemoselectivity. Deuterium-labeling experiments confirm the cis-addition of pinacolborane. The methodology has been further extended to myrcene, which undergoes selective 4,3-hydroboration. DFT calculations provide insights into the mechanism.

}, issn = {1359-7345}, doi = {10.1039/c9cc05783h}, author = {Bisai, Milan Kumar and Yadav, Sandeep and Das, Tamal and Vanka, Kumar and Sen, Sakya S.} } @article {46443, title = {Metabolomic dynamics reveals oxidative stress in spongy tissue disorder during ripening of mangifera indica l. fruit}, journal = {Metabolites}, volume = {9}, year = {2019}, month = {NOV}, pages = {255}, type = {Article}, abstract = {

Spongy tissue disorder, a mesocarp specific malady, severely affects the flavor and pulp characters of Alphonso mango fruit reducing its consumer acceptability. Here, we investigated comparative metabolomic changes that occur during ripening in healthy and spongy tissue-affected fruits using high resolution mass spectrometric analysis. During the spongy tissue formation, 46 metabolites were identified to be differentially accumulated. These putative metabolites belong to various primary and secondary metabolic pathways potentially involved in maintaining the quality of the fruit. Analysis revealed metabolic variations in tricarboxylic acid cycle and gamma amino butyric acid shunt generating reactive oxygen species, which causes stressed conditions inside the mesocarp. Further, reduced levels of antioxidants and enzymes dissipating reactive oxygen species in mesocarp deteriorate the fruit physiology. This oxidative stress all along affects the level of amino acids, sugars and enzymes responsible for flavor generation in the fruit. Our results provide metabolic insights into spongy tissue development in ripening Alphonso mango fruit.

}, keywords = {gamma amino butyric acid shunt, mango metabolomics, Oxidative stress, spongy tissue disorder, tricarboxylic acid cycle}, doi = {10.3390/metabo9110255}, author = {Oak, Pranjali and Deshpande, Ashish and Giri, Ashok and Gupta, Vidya} } @article {46005, title = {Metagenomic insights to understand transient influence of Yamuna River on taxonomic and functional aspects of bacterial and archaeal communities of River Ganges}, journal = {Science of the Total Environment}, volume = {674}, year = {2019}, month = {JUL}, pages = {288-299}, type = {Article}, abstract = {

River confluences are interesting ecosystems to investigate for their microbial community structure and functional potentials. River Ganges is one of the most important and holy river of India with great mythological history and religious significance. The Yamuna River meets Ganges at the Prayagraj (formerly known as Allahabad), India to form a unique confluence. The influence of Yamuna River on taxonomic and functional aspects of microbiome at this confluence and its downstream, remains unexplored. To unveil this dearth, whole metagenome sequencing of the microbial (bacterial and archaeal) community from the sediment samples of December 2017 sampling expedition was executed using high throughput MinION technology. Results revealed differences in the relative abundance of bacterial and archaeal communities across the confluence. Grouped by the confluence, a higher abundance of Proteobacteria and lower abundance of Bacteroidetes and Firnacutes was observed for Yamuna River (G15Y) and at immediate downstream of confluence of Ganges (G15DS), as compared to the upstream, confluence, and farther downstream of confluence. A similar trend was observed for archaeal communities with a higher abundance of Euryarchaeoto in G15Y and G15DS, indicating Yamuna River{\textquoteright}s influence. Functional gene(s) analysis revealed the influence of Yamuna River on xenobiotic degradation, resistance to toxic compounds, and antibiotic resistance interceded by the autochthonous microbes at the confluence and succeeding downstream locations. Overall, similar taxonomic and functional profiles of microbial communities before confluence (upstream of Ganges) and farther downstream of confluence, suggested a transient influence of Yamuna River. Our study is significant since it may be foundational basis to understand impact of Yamuna River and also rare event of mass bathing on the microbiome of River Ganges. Further investigation would be required to understand, the underlying cause behind the restoration of microbial profiles post-confluence farther zone, to unravel the rejuvenation aspects of this unique ecosystem. (C) 2019 Elsevier B.A. All rights reserved.

}, keywords = {Confluence zone, Ganges, Metagenomics, Transient influence, Yamuna}, issn = {0048-9697}, doi = {10.1016/j.scitotenv.2019.04.166}, author = {Samson, Rachel and Shah, Manan and Yadav, Rakeshkumar and Sarode, Priyanka and Rajput, Vinay and Dastager, Syed G. and Dharne, Mahesh S. and Khairnar, Krishna} } @article {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 {46120, title = {Microbacterium enclense sp. nov., isolated from sediment sample (vol 65, pg 2064, 2015)}, journal = {International Journal of Systematic and Evolutionary Microbiology}, volume = {69}, year = {2019}, month = {MAY}, pages = {1528}, type = {Correction}, issn = {1466-5026}, doi = {10.1099/ijsem.0.003331}, author = {Mawlankar, Rahul R. and Mual, Poonam and Sonalkar, Vidya V. and Thorat, Meghana N. and Verma, Ashish and Srinivasan, Krishnamurthi and Dastager, Syed G.} } @article {46272, title = {Microglial priming of antigen presentation and adaptive stimulation in Alzheimer{\textquoteright}s disease}, journal = {Cellular and Molecular Life Sciences}, volume = {76}, year = {2019}, month = {OCT}, pages = {3681-3694}, type = {Review}, abstract = {

The prominent pathological consequences of Alzheimer{\textquoteright}s disease (AD) are the misfolding and mis-sorting of two cellular proteins, amyloid-beta and microtubule-associated protein Tau. The accumulation of toxic phosphorylated Tau inside the neurons induces the increased processing of amyloid-beta-associated signaling cascade and vice versa. Neuroinflammation-driven synaptic depletion and cognitive decline are substantiated by the cross talk of activated microglia and astroglia, leading to neuron degeneration. Microglia are the brain-resident immune effectors that prove their diverse functions in maintaining CNS homeostasis via collaboration with astrocytes and T lymphocytes. Age-related senescence and chronic inflammation activate microglia with increased pro-inflammatory markers, oxidative damage and phagocytosis. But the improper processing of misfolded protein via lysosomal pathway destines the spreading of {\textquoteright}seed{\textquoteright} constituents to the nearby healthy neurons. Primed microglia process and present self-antigen such as amyloid-beta and modified Tau to the infiltrated T lymphocytes through MHC I/II molecules. After an effective conversation with CD4(+) T cells, microglial phenotype can be altered from pro-active M1 to neuro-protective M2 type, which corresponds to the tissue remodeling and homeostasis. In this review, we are focusing on the change in functionality of microglia from innate to adaptive immune response in the context of neuroprotection, which may help in the search of novel immune therapy in AD.

}, doi = {10.1007/s00018-019-03132-2}, author = {Das, Rashmi and Chinnathambi, Subashchandrabose} } @article {46241, title = {Molecular and dissociative adsorption of oxygen on au-pd bimetallic clusters: role of composition and spin state of the cluster}, journal = {Acs Omega}, volume = {4}, year = {2019}, month = {JULY}, pages = {12687-12695}, type = {Article}, abstract = {

Utilization of molecular oxygen as an oxidizing agent in industrially important reactions is the ultimate goal to design environmentally benign processes under ambient conditions. However, the high thermal stability and a large O-O dissociation barrier in O-2 molecule pose a great challenge toward its successful application in the oxidative chemistry. To achieve this goal, different catalysts based on monometallic and bimetallic clusters have been developed over the years to promote binding and dissociation of molecular oxygen. The successful design of efficient metal cluster catalysis needs an in-depth knowledge of synergistic effects between different metal atoms and intrinsic catalytic mechanisms for O-2 adsorption and dissociation. Here, we present a systematic theoretical investigation of reaction pathways for O-2 adsorption and dissociation on Au-8, Pd-8, and Au8-nPdn (n = 1-7) nanoclusters in different spin states. The density functional calculations point out that the O-2 dissociation barriers can be significantly reduced with the help of certain bimetallic clusters along specific spin channels. Our results particularly indicate that Au5Pd3 and Au1Pd7 show very large O-2 binding energies of 1.76 and 1.69 eV, respectively. The enhanced O-2 binding subsequently leads to low activation barriers of 0.98 and 1.19 eV along the doublet and quartet spin channels, respectively, without the involvement of any spin flip-over for O-2 dissociation. Furthermore, the computed O-2 dissociation barriers are significantly low as compared to the already reported barriers (1.95-3.65 eV) on monometallic and bimetallic Au-Ag clusters. The results provide key mechanistic insights into the interaction and dissociation of molecular oxygen with Au-Pd clusters, which can prove informative for the design of efficient catalysts for oxidative chemistry involving molecular oxygen as a reactant.

}, doi = {10.1021/acsomega.9b01581}, author = {Dar, Manzoor Ahmad and Krishnamurty, Sailaja} } @article {47168, title = {Molecular dynamics study on growth of carbon dioxide and methane hydrate from a seed crystal}, journal = {Chinese Journal of Chemical Engineering}, volume = {27}, year = {2019}, month = {SEP}, pages = {2074-2080}, type = {Article}, abstract = {

In the current work, molecular dynamics simulation is employed to understand the intrinsic growth of carbon dioxide and methane hydrate starting from a seed crystal of methane and carbon dioxide respectively. This comparison was carried out because it has relevance to the recovery of methane gas from natural gas hydrate reservoirs by simultaneously sequestering a greenhouse gas like CO2. The seed crystal of carbon dioxide and methane hydrate was allowed to grow from a super-saturated mixture of carbon dioxide or methane molecules in water respectively. Two different concentrations (1:6 and 1:8.5) of CO2/CH4 molecules per water molecule were chosen based on gas-water composition in hydrate phase. The molecular level growth as a function of time was investigated by all atomistic molecular dynamics simulation under suitable temperature and pressure range which was well above the hydrate stability zone to ensure significantly faster growth kinetics. The concentration of CO2 molecules in water played a significant role in growth kinetics, and it was observed that maximizing the CO2 concentration in the aqueous phase may not result in faster growth of CO2 hydrate. On the contrary, methane hydrate growth was independent of methane molecule concentration in the aqueous phase. We have validated our results by performing experimental work on carbon dioxide hydrate where it was seen that under conditions appropriate for liquid CO2, the growth for carbon dioxide hydrate was very slow in the beginning. (C) 2019 The Chemical Industry and Engineering Society of China, and Chemical Industry Press Co., Ltd. All rights reserved.

}, keywords = {Cage dynamics, CH4 recovery, CO2 sequestration, F-4 order parameter, kinetics, Natural gas hydrate, Thermodynamics}, issn = {1004-9541}, doi = {10.1016/j.cjche.2019.02.006}, author = {Nakate, Prajakta and Ghosh, Bappa and Das, Subhadip and Roy, Sudip and Kumar, Rajnish} } @article {47160, title = {Molecular studies of NAD- and NADP-glutamate dehydrogenases decipher the conundrum of yeast-hypha dimorphism in zygomycete Benjaminiella poitrasii}, journal = {Fems Yeast Research}, volume = {19}, year = {2019}, month = {DEC}, pages = {foz074}, type = {Article}, abstract = {

Benjaminiella poitrasii, a zygomycete, shows glucose- and temperature-dependent yeast (Y)-hypha (H) dimorphic transition. Earlier, we reported the biochemical correlation of relative proportion of NAD- and NADP-glutamate dehydrogenases (GDHs) with Y-H transition. Further, we observed the presence of one NAD-GDH and two form-specific NADP-GDH isoenzymes in B. poitrasii. However, molecular studies are necessary to elucidate the explicit role of GDHs in regulating Y-H reversible transition. Here, we report the isolation and characterization of one NAD (BpNADGDH, 2.643 kb) and two separate genes, BpNADPGDH I (Y-form specific, 1.365 kb) and BpNADPGDH II (H-form specific, 1.368 kb) coding for NADP-GDH isoenzymes in B. poitrasii. The transcriptional profiling during Y-H transition showed higher BpNADPGDH I expression in Y cells while expression of BpNADPGDH II was higher in H cells. Moreover, the yeast-form monomorphic mutant (Y-5) did not show BpNADPGDH II expression under normal dimorphism triggering conditions. Transformation with H-form specific BpNADPGDH II induced the germ tube formation in Y-5, which confirmed the cause-effect relationship between BpNADPGDH genes and morphological outcome in B. poitrasii. Interestingly, expression of H-form specific BpNADPGDH II also induced germ tube formation in human pathogenic, non-dimorphic yeast Candida glabrata, which further corroborated our findings.

}, keywords = {Benjaminiella poitrasii, Candida glabrata, differential gene expression, dimorphism, monomorphic mutant, NAD/NADP-glutamate dehydrogenase, yeast-hypha transition}, issn = {1567-1356}, doi = {10.1093/femsyr/foz074}, author = {Pathan, Ejaj K. and Ghormade, Vandana and Panwar, Sneh Lata and Prasad, Rajendra and Deshpande, Mukund V.} } @article {46250, title = { Molybdenum carbide catalyst for the reduction of CO2 to CO: surface science aspects by NAPPES and catalysis studies }, journal = {Dalton Transactions}, volume = {48}, year = {2019}, month = {AUG}, pages = {12199-12209}, type = {Article}, abstract = {

Carbon dioxide is a greenhouse gas, and needs to be converted into one of the useful feedstocks, such as carbon monoxide and methanol. We demonstrate the reduction of CO2 with H-2 as a reducing agent, via a reverse water gas shift (RWGS) reaction, by using a potential and low cost Mo2C catalyst. Mo2C was evaluated for CO2 hydrogenation at ambient pressure as a function of temperature, and CO2 : H-2 ratio at a gas hourly space velocity (GHSV) of 20 000 h(-1). It is demonstrated that the Mo2C catalyst with 1 : 3 ratio of CO2 : H-2 is highly active (58\% CO2 conversion) and selective (62\%) towards CO at 723 K at ambient pressure. Both properties (basicity and redox properties) and high catalytic activity observed with Mo2C around 700 K correlate well and indicate a strong synergy among them towards CO2 activation. X-ray diffraction and Raman analysis show that the Mo2C catalyst remains in the beta-Mo2C form before and after the reaction. The mechanistic aspects of the RWGS reaction were determined by near-ambient pressure X-ray photoelectron spectroscopy (NAPXPS) with in situ generated Mo2C from carburization of Mo-metal foil. NAPXPS measurements were carried out at near ambient pressure (0.1 mbar) and various temperatures. Throughout the reaction, no significant changes in the Mo2+ oxidation state (of Mo2C) were observed indicating that the catalyst is highly stable; C and O 1s spectral results indicate the oxycarbide species as an active intermediate for RWGS. A good correlation is observed between catalytic activity from atmospheric pressure reactors and the electronic structure details derived from NAPXPS results, which establishes the structure-activity correlation.

}, doi = {10.1039/c9dt01774g}, author = {Reddy, Kasala Prabhakar and Dama, Srikanth and Mhamane, Nitin B. and Ghosalya, Manoj K. and Raja, Thirumalaiswamy and Satyanarayana, Chilukuri V. and Gopinath, Chinnakonda S.} } @inbook {47479, title = {Nanobiopesticide perspectives for protection and nutrition of plants}, booktitle = {Nano-Biopesticides Today and Future Perspectives}, year = {2019}, pages = {47-68}, publisher = {Elsevier}, organization = {Elsevier}, abstract = {Presently, the actual utilization of pesticides on the target is < 0.1\% due to spray drift, rainwater leaching, etc., which makes pesticide usage inefficient. Therefore, in the agriculture scenario, the use of nanobiopesticides for ease of application, targeted delivery and a reduction in the load of pesticides, and protection of microbial diversity is holding significant promise. The nanomaterials in sensors and biosensors help in miniaturization, the real-time measurement of more variables present in low quantities, and early detection of pests and pathogens. The metal and metal oxide nanoparticles play significant roles in biopesticide degradation. However, one has to address issues related to associated risks to crop health, soil microbial diversity, and mankind due to such nano-based products. Accordingly, formulation of regulatory guidelines for their use also becomes an important component of the strategy.}, doi = {10.1016/B978-0-12-815829-6.00003-6}, author = {Deshpande, Mukund V.} } @article {46137, title = {Neural anti-inflammatory natural product periconianone A: total synthesis and biological evaluation}, journal = {European Journal of Organic Chemistry}, year = {2019}, month = {APR }, pages = {2376-2381}, type = {Article}, abstract = {

Total synthesis of periconianone A, an eremophilane-type sesquiterpenoid with impressive neural anti-inflammatory potential, has been accomplished. Diels-Alder/aldol strategy to construct tetrahydro-naphthalene-2,6-dione scaffold, allylic oxidation of dienone using DBU/O-2 and postulated biomimetic aldol reaction to construct 6/6/6 tricyclic system are the highlights of the present synthesis. Furthermore, the synthesized (+/-)-periconianone A and two close analogs were tested for their neural anti-inflammatory activity using various assays. In the course of our study we found a structurally simplified analog is superior to (+/-)-periconianone A.

}, keywords = {Aldol, Allylic oxidation, Biological evaluation, Cytotoxicity, Diels-Alder, Periconianone A}, issn = {1434-193X}, doi = {10.1002/ejoc.201900048}, author = {Kalmode, Hanuman P. and Patil, Suhag S. and Handore, Kishor L. and Athawale, Paresh R. and Dandela, Rambabu and Verma, Abhishek Kumar and Basu, Anirban and Reddy, D. Srinivasa} } @article {46112, title = {Neutral imino-methyl benzenesulfonate-ligated Pd(II) complexes and implications in ethylene polymerization}, journal = {ACS Omega}, volume = {4}, year = {2019}, month = {MAY}, pages = {9502-9511}, type = {Article}, abstract = {

A reaction between sodium 2-formylbenzenesulfonate and aniline revealed the near-quantitative (91\%) formation of sodium-2-((phenylimino)methyl)benzenesulfonate L1. The identity of L1 was unambiguously ascertained using spectroscopic and analytical methods. The scope of this methodology was widened and various electron-donating amines were treated with sodium 2-formylbenzenesulfonate, and a small library of 6 imine ligands L2-L6 was generated. When L2 was treated with [(COD)PdMeCI], instead of the anticipated [L2PdMe(DMSO)] complex, the formation of [(DMSO)(2)Pd2Cl2Me2] Pd Dim was observed. Nevertheless, the desired imino-methyl benzenesulfonate-ligated palladium complex [L2PdMe(Lu)] C1 was obtained by in situ abstraction of chloride and addition of bulky 2,6-lutidine as the donor group. The observation of characteristic Pd-Me protons at 0.06 ppm and the corresponding carbon at -8.1 ppm indicated the formation of C1. These 1D NMR observations were corroborated by 2D C-H correlation spectra and mass analysis, and the existence of C1 was unambiguously ascertained. Along the same lines, L4 and L5 were treated with a palladium precursor to produce [L4/SPdMe(Lu)]-type complexes C2-C3 in 55-84\% yield, and their identity was established by using a combination of spectroscopic tools, analytical methods, and single-crystal X-ray diffraction. The synthetic utility of C1-C3 has been demonstrated by utilizing these complexes in the insertion polymerization of ethylene to polyethylene.

}, issn = {2470-1343}, doi = {10.1021/acsomega.9b00709}, author = {Deshmukh, Satej S. and Gaikwad, Shahaji R. and Mote, Nilesh R. and Manod, M. and Gonnade, Rajesh G. and Chikkali, Samir H.} } @article {46021, title = {N-Heterocyclic carbene-catalyzed umpolung of imines for the enantioselective synthesis of dihydroquinoxalines}, journal = {ACS Catalysis}, volume = {9}, year = {2019}, month = {MAY}, pages = {4065-4071}, type = {Article}, abstract = {

N-heterocyclic carbene (NHC) organocatalysis is widely employed for the umpolung of aldehydes and recently to the umpolung of Michael acceptors and aldimines. Described herein is the NHC-organocatalyzed umpolung of aldimines for the enantioselective synthesis of nitrogen heterocycles. The bisimines generated from the condensation of 1,2-phenylenediamines and salicylaldehydes undergo intramolecular cyclization in the presence of a chiral NHC catalyst, resulting in the formation of dihydroquinoxalines in moderate to good yields and er values. Detailed DFT studies shed light on the role of -OH groups in stabilizing the initially generated aza-Breslow intermediates via intramolecular hydrogen bonds. Preliminary photophysical studies on the synthesized dihydroquinoxalines revealed that these molecules can be used for the sensing of various acids and bases.

}, keywords = {dihydroquinoxalines, imines, N-heterocyclic carbenes, organocatalysis, umpolung}, issn = {2155-5435}, doi = {10.1021/acscatal.9b00737}, author = {Das, Tamal Kanti and Ghosh, Avik and Balanna, Kuruva and Behera, Pradipta and Gonnade, Rajesh G. and Marelli, Udaya Kiran and Das, Abhijit Kumar and Biju, Akkattu T.} } @article {46099, title = {Nickel(ii)-catalyzed direct olefination of benzyl alcohols with sulfones with the liberation of H-2}, journal = {Chemical Communications}, volume = {55}, year = {2019}, month = {MAY }, pages = {6130-6133}, type = {Article}, abstract = {

A nickel(II)-catalyzed direct olefination of benzyl alcohols with sulfones to access various terminal and internal olefins with the liberation of hydrogen gas is reported.

}, issn = {1359-7345}, doi = {10.1039/c9cc02603g}, author = {Landge, Vinod G. and Yadav, Vinita and Subaramanian, Murugan and Dangarh, Pragya and Balaraman, Ekambaram} } @article {46307, title = {Novel fatty alkene from marine bacteria: a thermo stable biosurfactant and its applications}, journal = {Journal of Hazardous Materials}, volume = {380}, year = {2019}, month = {DEC}, pages = {UNSP 120868}, type = {Article}, abstract = {

In this study, a novel thermo stable biosurfactants, 1-Pentanonacontene (C95H190) a fatty alkene and 3-Hydroxy16-methylheptadecanoic acid (C18H36O3) were isolated from a marine isolate SGD-AC-13. Biosurfactants were produced using 1\% yeast extract in tap water as production medium at 24 h in flask and 12 h in bioreactor. Using 16S rRNA gene sequence (1515 bp) and BCL card (bioMerieux VITEK (R)), strain was identified as Bacillus sp. Crude biosurfactant reduced the surface tension of distilled water to 31.32 +/- 0.93 mN/m with CMC value of 0.3 mg/ml. Cell free supernatant showed excellent emulsification and oil displacement activity with stability up to 160 degrees C, pH 6-12 and 50 g/L NaCl conc. Biosurfactants were characterized using FTIR, TLC, HPLC LC-MS and NMR spectroscopy. Cell free supernatant reduced the contact angle of distilled water droplet from 117 degrees to 52.28 degrees and of 2\% pesticide from 78.77 degrees to 73.42 degrees while 750 mu g/ml of crude biosurfactant reduced from 66.06 degrees to 56.33 degrees for 2\% pesticide and recovered 35\% ULO and 12\% HWCO from the contaminated sand. To our best of knowledge, this is the first report of thermo stable fatty alkene as a biosurfactant and is structurally different from previously reported, with having potential application in agriculture, oil recovery and bioremediation.

}, keywords = {Bioremediation, Biosurfactants, Fatty alkene, Thermo stability, Wettability}, issn = {0304-3894}, doi = {10.1016/j.jhazmat.2019.120868}, author = {Ram, Hari and Sahu, Amit Kumar and Said, Madhukar S. and Banpurkar, Arun G. and Gajbhiye, Jayant M. and Dastager, Syed G.} } @article {46270, title = {Novel synthetic approach for designing metal-free, redox-active quinoxaline-benzimidazole-based organic polymers with high energy storage capacity}, journal = {New Journal of Chemistry}, volume = {44}, year = {2019}, month = {OCT}, pages = {14806-14817}, type = {Article}, abstract = {

New organic framework materials, namely, polyphenylquinoxaline (QOP) and polyphenylquinoxaline-benzimidazole (QOP-BOP) were designed using a high-temperature (\>100 degrees C) polymerization reaction with different monomers, i.e., 2,5-bis-[(4-benzoylcarbonyl)phenyl]-3-4 diphenyl thiophene (BbcPDT), aromatic tetraamines and biphenyl dicarboxylic acid. The QOP-BOP copolymer exhibited specific capacitance (SC) of 305 F g(-1) at the current density of 2 A g(-1) and 88\% retention of its initial specific capacitance after 1000 cycles, which resulted in good cyclic stability. This work establishes the first use of thiophene integrated with quinoxaline-benzimidazole units for energy storage applications and provides strategies for further developments in the performance of such conjugated materials. Cyclic voltammetry, charge-discharge and electrochemical impedance techniques were used to evaluate the electrochemical parameters, which demonstrated their potential in future energy storage devices.

}, doi = {10.1039/c9nj02877c}, author = {Salunkhe, Pravin S. and Patil, Yuvraj S. and Dhole, Indrajeet A. and Kalshetti, Basavraj S. and Patil, Vikas B. and Mane, Shivshankar R. and Ghanwat, Anil A.} } @article {46292, title = {One-pot Au [III]-/lewis acid catalyzed cycloisomerization of nitroalkynes and [3+3]cycloaddition with donor-acceptor cyclopropanes}, journal = {Organic Letters}, volume = {21}, year = {2019}, month = {AUG}, pages = {6221-6224}, type = {Article}, abstract = {

A one-pot protocol for the synthesis of a tricyclic pseudoindoxyl scaffold from 2-nitroalkynylbenzenes, comprising of an Au(III)-catalyzed nitroalkyne cycloisomerization leading to isatogen and its [3 + 3]-cycloaddition with donor-acceptor cyclopropanes mediated by a suitable Lewis acid, has been developed.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.9b02035}, author = {Dhote, Pawan S. and Ramana, V. Chepuri} } @article {45620, title = {Paintable room-temperature phosphorescent liquid formulations of alkylated bromonaphthalimide}, journal = {Angewandte Chemie - International Edition}, volume = {58}, year = {2019}, month = {FEB}, pages = {2284-2288}, type = {Article}, abstract = {Organic phosphors have been widely explored with an understanding that crystalline molecular ordering is a requisite for enhanced intersystem crossing. In this context, we explored the room-temperature phosphorescence features of a solvent-free organic liquid phosphor in air. While alkyl chain substitution varied the physical states of the bromonaphthalimides, the phosphorescence remained unaltered for the solvent-free liquid in air. As the first report, a solvent-free liquid of a long swallow-tailed bromonaphthalimide exhibits room-temperature phosphorescence in air. Doping of the phosphor with carbonyl guests resulted in enhanced phosphorescence, and hence a large-area paintable phosphorescent liquid composite with improved lifetime and quantum yield was developed.}, doi = {10.1002/anie.201811834}, author = {Goudappagouda and Manthanath, A. and Wakchaure, V. C. and Ranjeesh, K. C. and Das, T. and Vanka, K. and Nakanishi, T. and Babu, S. S.} } @article {46139, title = {Palladium impregnated amine Co-condensed hexagonal mesoporous silica: a novel catalyst in tailoring suzuki and heck coupling reactions in base free condition}, journal = {ChemistrySelect}, volume = {4}, year = {2019}, month = {APR }, pages = {3823-3832}, type = {Article}, abstract = {

Palladium impregnated amine co-condensed hexagonal mesoporous silicas (HMS-X) were synthesized (sol-gel process) using different amines (Ethylene diamine and pyridine) of various concentrations (0.25 equiv. and 2 equiv.). The effect of amine concentration on the local structure of hexagonal mesoporous silica was studied. The catalyst shows excellent catalytic activity and high TOF towards both Suzuki and Heck coupling reactions without using any base in reaction medium with the solvent DMF:water in (1:1) ratio. The catalyst was reused and it was recyclable up to three cycle without any appreciable loss of activity and the kinetics of the reaction varying different parameters also have been studied thoroughly.

}, keywords = {Amine functionalized silica, Base free, Heck reaction, Palladium supported catalysts, Suzuki reaction}, issn = {2365-6549}, doi = {10.1002/slct.201803485}, author = {Das, Prangya Paramita and Prabhakaran, Vinod C. and Nanda, Samik and Sen, Debasis and Chowdhury, Biswajit} } @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 {46251, title = { Phosphite-Catalyzed C-H allylation of azaarenes via an enantioselective [2,3]-Aza-wittig rearrangement }, journal = {Angewandte Chemie-International Edition}, year = {2019}, month = {AUG}, type = {Article}, abstract = {

A phosphite-mediated [2,3]-aza-Wittig rearrangement has been developed for the regio- and enantioselective allylic alkylation of six-membered heteroaromatic compounds (azaarenes). The nucleophilic phosphite adducts of N-allyl salts undergo a stereoselective base-mediated aza-Wittig rearrangement and dissociation of the chiral phosphite for overall C-H functionalization of azaarenes. This method provides efficient access to tertiary and quaternary chiral centers in isoquinoline, quinoline, and pyridine systems, tolerating a broad variety of substituents on both the allyl part and azaarenes. Catalysis with chiral phosphites is also demonstrated with synthetically useful yields and enantioselectivities.

}, doi = {10.1002/anie.201906681}, author = {Motaleb, Abdul and Rani, Soniya and Das, Tamal and Gonnade, Rajesh G. and Maity, Pradip} } @article {46439, title = {Photoexcited toluidine blue inhibits tau aggregation in Alzheimer{\textquoteright}s disease}, journal = {Acs Omega}, volume = {4}, year = {2019}, month = {NOV }, pages = {18793-18802}, type = {Article}, abstract = {

The aggregates of microtubule-associated protein Tau are considered as a major hallmark of Alzheimer{\textquoteright}s disease. Tau aggregates accumulate intracellularly leading to neuronal toxicity. Numerous approaches have been targeted against Tau protein aggregation, which include application of synthetic and natural compounds. Toluidine blue is a basic dye of phenothiazine family, which on irradiation with a 630 nm light gets converted into a photoexcited form, leading to generation of singlet oxygen species. Methylene blue is the parent compound of toluidine blue, which has been reported to be potent against tauopathy. In the present work, we studied the potency of toluidine blue and photoexcited toluidine blue against Tau aggregation. Biochemical and biophysical analyses using sodium dodecyl sulfate-polyacrylamide gel electrophoresis, ThS fluorescence, circular dichroism spectroscopy, and electron microscopy suggested that toluidine blue inhibited the aggregation of Tau in vitro. The photoexcited toluidine blue potentially dissolved the matured Tau fibrils, which indicated the disaggregation property of toluidine blue. The cell biology studies including the cytotoxicity assay and reactive oxygen species (ROS) production assay suggested toluidine blue to be a biocompatible dye as it reduced ROS levels and cell death. The photoexcited toluidine blue modulates the cytoskeleton network in cells, which was supported by immunofluorescence studies of neuronal cells. The studies in a UAS Tau E14 transgenic Drosophila model suggested that photoexcited toluidine blue was potent to restore the survival and memory deficits of Drosophila. The overall finding of our studies suggested toluidine blue to be a potent molecule in rescuing the Tau-mediated pathology by inhibiting its aggregation, reducing the cell death, and modulating the tubulin levels and behavioral characteristics of Drosophila. Thus, toluidine blue can be addressed as a potent molecule against Alzheimer{\textquoteright}s disease.

}, issn = {2470-1343}, doi = {10.1021/acsomega.9b02792}, author = {Dubey, Tushar and Nalini, Gorantla Vijay and Chandrashekara, Kagepura Thammaiah and Chinnathambi, Subashchandrabose} } @article {47165, title = {pH-responsive {\textquotedblleft}supra-amphiphilic{\textquotedblright} nanoparticles based on homoarginine polypeptides}, journal = {ACS Applied Bio Materials}, volume = {2}, year = {2019}, month = {AUG}, pages = {4162{\textendash}4172}, type = {Article}, abstract = {

pH-responsive {\textquotedblleft}supra-amphiphiles{\textquotedblright} based on double hydrophilic, positively charged block copolypeptides such as PEG-b-poly-l-lysine together with low molecular weight stimuli-sensitive partners that contain phosphate and carboxylate groups have been widely studied. In contrast, the other widely used cationic polypeptide poly-l-arginine whose cell-penetrating properties are well-known has been much less explored for the synthesis of supra-amphiphile-based nanomaterials. It is also known that the guanidine side chain of arginine binds to carboxylate anions with binding constants that are 2.5 times higher than the corresponding amines of poly-l-lysine. Here, we demonstrate the fabrication of pH-sensitive supra-amphiphilic nanoparticles by simple mixing of PEG2k-b-poly(homoarginine) block copolymer and carboxylic acid containing functional low molecular weight organic compounds. A high yielding three-step methodology was developed for the synthesis of ε-N,N'-di-Boc-l-homoarginine-α-N-carboxyanhydride which was polymerized using amine-terminated PEG (2000 MW) to yield 100\% guanine-functionalized polypeptide (PEG2k-b-PHR30) with controlled molecular weights and low PDIs. Incubation of PEG2k-b-PHR30 with four different carboxylic acids (including dexamethasone a glucocorticoid receptor used in cancer therapy) in water leads to the formation of {\textquotedblleft}supra-amphiphilic{\textquotedblright} nanoparticles (\<200 nm size) due to the charge neutralization resulting from the strong interaction between the guanidine group and the carboxylate group. All these nanoparticles were able to encapsulate the hydrophobic dye Nile red with varying efficiency. Although these assemblies were stable at neutral pH, upon lowering the pH of the solution between 4 and 5, the protonation of the carboxylic acids leads to disassembly of these nanoparticles. The cytotoxicity of all four {\textquotedblleft}supra-amphiphilic{\textquotedblright} nanoparticles varied depending on the carboxylic acid used for their fabrication. While the nanoparticle formed using dioctylbenzoic acid displayed 80\% cell viability at concentration of 60 μg/mL, those formed with the steroid deoxycholic acid or dexamethasone showed only 40\% cell viability at similar concentrations. Colocalization studies performed using epifluorescence microscopy demonstrate the successful uptake of intact dye-encapsulated nanoparticle inside the cell.

}, doi = {10.1021/acsabm.9b00432}, author = {Praveen, Korra and Das, Soumen and Dhaware, Vinita and Pandey, Bhawana and Mondal, Basudeb and Sengupta, Sayam} } @article {46162, title = {Porosity switching in polymorphic porous organic cages with exceptional chemical stability}, journal = {Angewandte Chemie-International Edition}, volume = {58}, year = {2019}, month = {MAR}, pages = {4243-4247}, type = {Article}, abstract = {

Porous solids that can be switched between different forms with distinct physical properties are appealing candidates for separation, catalysis, and host-guest chemistry. In this regard, porous organic cages (POCs) are of profound interest because of their solution-state accessibility. However, the application of POCs is limited by poor chemical stability. Synthesis of an exceptionally stable imine-linked (4+6) porous organic cage (TpOMe-CDA) is reported using 2,4,6-trimethoxy-1,3,5-triformyl benzene (TpOMe) as a precursor aldehyde. Introduction of the -OMe functional group to the aldehyde creates significant steric and hydrophobic characteristics in the environment around the imine bonds that protects the cage molecules from hydrolysis in the presence of acids or bases. The electronic effect of the -OMe group also plays an important role in enhancing the stability of the reported POCs. As a consequence, TpOMe-CDA reveals exceptional chemical stability in neutral, acidic and basic conditions, even in 12m NaOH. Interestingly, TpOMe-CDA exists in three different porous and non-porous polymorphic forms (, , and ) with respect to differences in crystallographic packing and the orientation of the flexible methoxy groups. All of the polymorphs retain their crystallinity even after treatment with acids and bases. All the polymorphs of TpOMe-CDA differ significantly in their properties as well as morphology and could be reversibly switched in the presence of an external stimulus.

}, keywords = {chemical stability, Morphology, organic cages, polymorphism, porosity switching}, issn = {1433-7851}, doi = {10.1002/anie.201813773}, author = {Bera, Saibal and Dey, Kaushik and Pal, Tapan K. and Halder, Arjun and Tothadi, Srinu and Karak, Suvendu and Addicoat, Matthew and Banerjee, Rahul} } @article {46427, title = {Preparation and activity of copper-gallium nanocomposite catalysts for carbon dioxide hydrogenation to methanol}, journal = {Industrial \& Engineering Chemistry Research}, volume = {58}, year = {2019}, month = {NOV}, pages = {21331-21340}, type = {Article}, abstract = {

Copper (Cu) nanocomposite catalysts with gallium (Ga) and aluminum (Al) were prepared using the simultaneous coprecipitation digestion method. The catalysts were characterized by N-2 adsorption, N2O titration, XRD (X-ray diffraction), H-2-TPR (H-2 temperature-programmed reduction), XPS (X-ray photoelectron spectroscopy), and CO2-TPD (CO2 temperature-programmed desorption) techniques, and CO2 hydrogenation to methanol synthesis was performed. The use of Ga in Cu catalysts enhanced the weak basic sites more than the Cu catalysts with Al. With the CuGa nanocomposite formation, the catalyst showed a sequential reduction of CuO, for example, Cu+2 to Cu+ to Cu-0, and the Cu surface area was also high in comparison with CuAl. These findings confirmed that both the Cu surface area and CuO reducibility in the catalyst helped to boost the conversion of CO2, whereas selectivity to methanol was associated with the basicity of the catalyst. CuAl catalysts showed very poor selectivity to methanol despite CO formation, which could be due to the weak interaction of the CuAl nanocomposite catalysts compared to the CuGa nanocomposite catalysts.

}, issn = {0888-5885}, doi = {10.1021/acs.iecr.9b04083}, author = {Hengne, Amol M. and Yuan, Ding Jier and Date, Nandan S. and Saih, Youssef and Kamble, Sanjay P. and Rode, V. Chandrashekhar and Huang, Kuo-Wei} } @article {46158, title = {Promising visible-light driven hydrogen production from water on a highly efficient CuCo2S4 nanosheet photocatalyst}, journal = {Journal of Materials Chemistry A}, volume = {7}, year = {2019}, month = {MAR }, pages = {6985-6994}, type = {Article}, abstract = {

Here we report the development of CuCo2S4 nanosheets (NSs) as a promising semiconductor photocatalyst for the first time for water splitting reactions under visible light ( 420 nm) conditions, without the support of any noble metal co-catalyst. These NSs were produced via a simple hydrothermal route and have desirable properties with a band gap of 2.24 eV, and are photo-catalytically active under visible light with an apparent quantum yield (AQY) of 2.48\%. Under visible light, CuCo2S4 NSs exhibit excellent weight-normalized photoactivity that generates approximate to 25900 mol h(-1) H-2 for 1 g of material with sulphide + sulphite as the sacrificial agent under 7.68 mW cm(-2) illumination, which is the best evolution reported for any chalcogenide semiconductor material without any co-catalyst to date with unprecedented long-term operational stability (up to 12 h study time). The rate and number of hydrogen gas molecules produced are 8.2855 x 10(15) s(-1) cm(-2) which remained constant for three catalytic cycles with a turnover frequency (TOF) value of 0.017 s(-1). The effect of Cu substitution on photoactivity was also investigated for comparative studies and it was found that CuCo2S4 NSs show superior activity to Cu0.5Co2.5S4 and Co3S4. These CuCo2S4 NSs absorb the entire visible range of the spectrum from 420 to 800 nm, and have a highly populated density of states at the Fermi level and a high donor concentration of 7.22 x 10(18) cm(-3) which have been evaluated by Mott-Schottky analysis and favourable adsorption of H+ on S-sites and conversion to H-2 corroborate their efficient photocatalytic activity.

}, issn = {2050-7488}, doi = {10.1039/c9ta00391f}, author = {Chauhan, Meenakshi and Soni, Kiran and Karthik, P. E. and Reddy, Kasala Prabhakar and Gopinath, Chinnakonda S. and Deka, Sasanka} } @article {46153, title = {Puzzle of highly virulent Metarhizium anisopliae strains from Annona squamosa fields against Helicoverpa armigera}, journal = {Journal of Basic Microbiology}, volume = {59}, year = {2019}, month = {APR}, pages = {392-401}, type = {Article}, abstract = {

In our search for indigenous virulent strains of the entomopathogenic fungi, we observed that Metarhizium isolates from soils associated with Annona squamosa (custard apple) have higher virulence (\>90\% mortality of Helicoverpa armigera larvae at 1/10(th) spore concentration) than strains isolated from Solanum lycopersicum (tomato) fields. Proteomic analysis revealed two insecticidal cyclopeptides of A. squamosa origin in the M. anisopliae strains that led to higher virulence against H. armigera. Transcriptomic and genomic data indicated that M. anisopliae strains and A. squamosa had more than 20 genes in common, including those for cyclic hexapeptide synthase, non-ribosomal peptide synthetase, and plant cyclotide genes, which are involved in the biosynthesis of insecticidal cyclopeptides. These genes were absent in M. anisopliae strains isolated from the S. lycopersicum fields. Further, these strains can establish an endophytic relationship with A. squamosa suggesting that these rhizospheric strains originally could be endophytes, which were eventually released into the soil. Further, Metarhizium strains associated with Capsicum annuum (chili), Azadirachta indica (neem), and Carica papaya (papaya) - plants with insecticidal properties - also had higher virulence against H. armigera. Thus exploration of rhizospheres of plants producing insecticidal metabolites to isolate entomopathogenic fungi, per se, could be a viable strategy in agricultural for crop protection.

}, keywords = {Annona squamosa, Biocontrol, endophyte, entomopathogen, Helicoverpa armigera, horizontal gene transfer, insecticidal peptides, Metarhizium, natural transformation}, issn = {0233-111X}, doi = {10.1002/jobm.201800631}, author = {Pathan, Ejaj K. and Deshpande, Mukund V.} } @article {45569, title = {Rapid and greener method for utilization of plaster of paris (POP) waste generated from biomedical samples}, journal = {International Journal of Environmental Science and Technology}, volume = {16}, year = {2019}, month = {OCT}, pages = {2475-2480}, type = {Article}, abstract = {

Plaster of Paris (POP) is one of the recalcitrant wastes generated from dentistry and orthopaedic materials used in healthcare sector. The current practice of disposal of POP waste-harbouring biomedical material by incineration is very critical and environmentally unfriendly. The eco-friendly and rapid disintegration of such biomedical-related POP waste was done by treating with ammonium bicarbonate solution (20\% w/v ABC) to form non-hazardous products like ammonium sulphate and calcium carbonate in the form of sludge. The ammonium sulphate (NH4)2SO4 is generally used in agriculture as a chemical fertilizer and calcium carbonate (CaCO3) as an additive in construction sector making this process cost-effective and value addition. Interestingly, 20\% ABC solution also had significant antibiofilm, antimicrobial activity against fungi, yeast and bacterial strains probably due to its high pH-driven osmotic effect. Therefore, 20\% ABC solution finds dual eco-friendly application in disinfection of used POP, especially arising from biomedical waste from patients.

}, keywords = {Biomedical waste, Eco-friendly disintegration, Plaster of Paris waste}, issn = {1735-1472}, doi = {10.1007/s13762-018-2070-7}, author = {Navale, G.R. and Gohil, K.N. and Puppala, K.R. and Shinde, S.S. and Umbarkar, S. and Dharne, M.S.} } @article {46187, title = {Remarkably distinct mechanical flexibility in three structurally similar semiconducting organic crystals studied by nanoindentation and molecular dynamics}, journal = {Chemistry of Materials}, volume = {31}, year = {2019}, month = {FEB}, pages = {1391-1402}, type = {Article}, abstract = {

Distinct macroscopic mechanical responses of the three crystals of naphthalene diimide derivatives, 1Me, 1Et, and 1nPr, studied here are very intriguing because their molecular structures are very similar, with the difference only in the alkyl chain length. Among the three crystals examined, 1Me shows highly plastic bending nature, 1Et shows elastic flexibility, and 1nPr is brittle. A detailed investigation by nanoindentation and molecular dynamics (MD) simulations allowed us to correlate their distinct mechanical responses with the way the weak interactions pack in crystal structures. The elastic modulus (E) of 1Me is nearly an order of magnitude lower than that of 1Et, whereas hardness (H) is less than half. The low values of E and H of 1Me indicate that these crystals are highly compliant and offer a low resistance to plastic flow. As the knowledge of hardness and elastic modulus of molecular crystals alone is insufficient to capture their macroscopic mechanical deformation nature, that is, elastic, brittle, or plastic, we have employed three-point bending tests using the nanoindentation technique. This allowed a quantitative evaluation of flexibility of the three mechanically distinct semiconducting molecular crystals, which is important for designing larger-scale applications; these were complemented with detailed MD simulations. The elastic 1Et crystals showed remarkable flexibility even after 1000 cycles. The results emphasize that the alkyl side chains in functional organic crystals may be exploited for tuning their self-assembly as well as their mechanical properties. Hence, the study has broad implications, for example, in crystal engineering of various flexible, ordered molecular materials.

}, issn = {0897-4756}, doi = {10.1021/acs.chemmater.8b04800}, author = {Devarapalli, Ramesh and Kadambi, Sourabh Bhagwan and Chen, Chun-Teh and Krishna, Gamidi Rama and Kammari, Bal Raju and Buehler, Markus J. and Ramamurty, Upadrasta and Reddy, C. Malla} } @article {46178, title = {Re-purposing is needed for beneficial bugs, not for the drugs}, journal = {International Microbiology}, volume = {22}, year = {2019}, month = {MAR}, pages = {1-6}, type = {Review}, abstract = {

Between 150 and 200 species of plants, insects, birds or mammals go extinct every day. We do not have any idea what the global extinction rate for microorganisms is. What is clear is that we have already lost a maximum number of the microbes that used to live in and on our skins. Many of our microbial partners are facing extinction as we apply selection pressures that are unprecedented in our long-standing relationships. Recent estimates are that we have lost at least one third of the diversity of our skin microbiome. Every day, most of us bath or shower in water that contains chlorine or fluorine; these additives do a great job of killing pathogenic microbes, but they are probably not helping our skin microbiome. Most of the people apply cosmetic products every day, as these products contain preservatives that prevent microbial growth on the shelf. These same chemicals may well kill microbes on the skin. The daily use of high-pH soaps probably will not help microbial life that is adapted to living on the skin{\textquoteright}s natural pH of 5. The rise in the rate of C-section births from around 5\% in 1970 to more than 30\% today is likely to be a contributing factor. Vaginal microbes seed our skins at birth and C-sections disrupt this process. The overuse of broad-spectrum antibiotics has contributed to the loss of our microbial partners in all body sites and the skin is no exception. It is now clear that skin is an ecosystem that is dependent on commensal microbes for optimal health. In general, a diverse ecosystem is a healthy ecosystem that is robust in the face of change. Low-diversity ecosystems are more fragile and susceptible to dysbiosis. Eczema and acne rates have increased rapidly over the last 50 years. These diseases are almost unknown in hunter-gatherer communities. Now, we face two exciting challenges: finding out which species matter and how to get them back.

}, keywords = {Drugs, Dysbiosis, Microbiome, Probiotics}, issn = {1139-6709}, doi = {10.1007/s10123-018-00049-x}, author = {Ram, Hari and Dastager, Syed G.} } @article {45604, title = {Retraction: a highly concise and practical route to clavaminols, sphinganine and (+)-spisulosine via indium mediated allylation of α-hydrazino aldehyde and a theoretical insight into the stereochemical aspects of the reaction}, journal = {RSC Advances}, volume = {9}, year = {2019}, month = {FEB}, pages = {3336-3336 }, type = {Article}, abstract = {A conceptually different approach has been employed for the synthesis of 1,2-amino alcohols by proline-catalyzed α-amination of aldehyde and one-pot indium mediated allylation of the crude α-hydrazino aldehydes. DFT based quantum chemical calculations have been performed to obtain a quantitative explanation of the stereoselectivity of the reaction.}, doi = {10.1039/C9RA90005E}, author = {Pandey, M. and Chowdhury, P. S. and Dutta, A. K. and Kumar, P. and Pal, S.} } @article {46186, title = {Retraction: organocatalytic stereoselective synthesis of passifloricin A (Retraction of Vol 10, Pg 1820, 2012)}, journal = {Organic \& Biomolecular Chemistry}, volume = {17}, year = {2019}, month = {FEB}, pages = {2289}, type = {Retraction}, issn = {1477-0520}, doi = {10.1039/c9ob90027f}, author = {Kumar, Pradeep and Pandey, Menaka and Gupta, Priti and Dhavale, Dilip D.} } @article {46425, title = {Saturated N-heterocyclic carbene based thiele{\textquoteright}s hydrocarbon with a tetrafluorophenylene linker}, journal = {Chemistry-A European Journal}, year = {2019}, month = {NOV}, type = {Article; Early Access}, abstract = {

The synthesis of a SIPr [1,3-bis(2,6-diisopropylphenyl)-imidazolin-2-ylidene] derived Kekule diradicaloid with a tetrafluorophenylene spacer (3) has been described. Two synthetic routes have been reported to access 3. The cleavage of C-F bond of C6F6 by SIPr in the presence of BF3 led to double C-F activated compound with two tetrafluoro borate counter anions (2), which upon reduction by lithium metal afforded 3. Alternatively, 3 can be directly accessed in one step by reacting SIPr with C6F6 in presence of Mg metal. Compounds 2 and 3 were well characterized spectroscopically and by single-crystal X-ray diffraction studies. Experimental and computational studies support the cumulenic closed-shell singlet state of 3 with a singlet-triplet energy gap (Delta ES-T) of 23.7 kcal mol(-1).

}, keywords = {C-F activation, Density functional calculations, fluorine, Kekule diradicaloids, saturated NHC}, issn = {0947-6539}, doi = {10.1002/chem.201904421}, author = {Kundu, Gargi and De, Sriman and Tothadi, Srinu and Das, Abhishek and Koley, Debasis and Sen, Sakya S.} } @article {45529, title = {Scalable microwave-assisted continuous flow synthesis of CuO nanoparticles and their thermal conductivity applications as nanofluids}, journal = {Advanced Powder Technology}, volume = {30}, year = {2019}, month = {JAN}, pages = {13-17}, type = {Article}, abstract = {

We have demonstrated the novel and scalable synthesis of CuO nanoparticles by an integration of microwave and flow synthesis. The shape and size of CuO nanoparticles were tuned by changing the concentration of copper precursor. The production rate of CuO nanoparticles was found to be 5 g/h with 70\% conversion of copper acetate into the CuO nanoparticles. The thermal conductivity of CuO nanofluid prepared in ethylene glycol showed linear enhancement with increase in the volume content of CuO nanoparticles produced in batch and flow reactors. (C) 2018 The Society of Powder Technology Japan. Published by Elsevier B.V. and The Society of Powder Technology Japan. All rights reserved.

}, keywords = {Flow synthesis, Microwave, Nanofluids, Nanoparticles, scale-up, Thermal conductivity}, issn = {0921-8831}, doi = {10.1016/j.apt.2018.10.001}, author = {Nikam, Arun V. and Dadwal, Arun H.} } @article {46163, title = {Scalable synthesis of cladosporin}, journal = {Tetrahedron Letters}, volume = {60}, year = {2019}, month = {MAR }, pages = {831-833}, type = {Article}, abstract = {

Cladosporin, a secondary metabolite isolated from fungal sources like Cladosporium cladosporioides and Aspergillus flavus was found to exhibit selective nano-molar activity against malarial parasite Plasmodium falciparum by inhibiting parasitic protein biosynthesis. In addition, this natural product has a broad range of bioactivities including, antiparasitic, antifungal, antibacterial as well as plant growth inhibition. However, it has limited availability from the natural sources for further development. Herein, we report a modified and improved synthetic route which led us to produce this potent natural product in a gram scale. Conversion of the undesired diastereomer to desired one via Mitsunobu inversion of secondary alcohol and carbon monoxide insertion reaction towards the construction of isocoumarin unit are the key features of the present synthesis. (C) 2019 Elsevier Ltd. All rights reserved.

}, keywords = {Anti-malarials, Cladosporin, Mitsunobu, Total synthesis}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2019.02.012}, author = {Das, Pronay and Mankad, Yash and Reddy, D. Srinivasa} } @article {46184, title = {Selective targeting of integrin alpha v beta 8 by a highly active cyclic peptide}, journal = {Journal of Medicinal Chemistry}, volume = {62}, year = {2019}, month = {FEB }, pages = {2024-2037}, type = {Article}, abstract = {

Integrins play important roles in physiological and pathophysiological processes. Among the RGD-recognizing integrin subtypes, the alpha v beta 8 receptor is emerging as an attractive target because of its involvement in various illnesses, such as autoimmune diseases, viral infections, and cancer. However, its functions have, so far, not been investigated in living subjects mainly because of the lack of a selective alpha v beta 8 ligand. Here, we report the design and potential medical applications of a cyclic octapeptide as the first highly selective small-molecule ligand for alpha v beta 8. Remarkably, this compound displays low nanomolar alpha v beta 8 binding affinity and a strong discriminating power of at least 2 orders of magnitude versus other RGD-recognizing integrins. Peptide functionalization with fluorescent or radioactive labels enables the selective imaging of alpha v beta 8-positive cells and tissues. This new probe will pave the way for detailed characterization of the distinct (patho)physiological role of this relatively unexplored integrin, providing a basis to fully exploit the potential of alpha v beta 8 as a target for molecular diagnostics and personalized therapy regimens.

}, issn = {0022-2623}, doi = {10.1021/acs.jmedchem.8b01588}, author = {Reichart, Florian and Maltsev, Oleg V. and Kapp, Tobias G. and Raeder, Andreas F. B. and Weinmueller, Michael and Marelli, Udaya Kiran and Notni, Johannes and Wurzer, Alexander and Beck, Roswitha and Wester, Hans Juergen and Steiger, Katja and Di Maro, Salvatore and Di Leva, Francesco Saverio and Marinelli, Luciana and Nieberler, Markus and Reuning, Ute and Schwaiger, Markus and Kessler, Horst} } @article {45511, title = {On the sensitivity of alginate rheology to composition}, journal = {Soft Matter}, volume = {15}, year = {2019}, month = {JAN }, pages = {159-165}, type = {Article}, abstract = {

The linear response of alginate-phenyl boronic acid (Alg-PBA) esters shows a universal, composition-independent viscoelastic fluid-like behaviour. Reversible association of alginates governs their rheology at all compositions (viz. at all alginate concentrations and solution pH). However, their high strain behaviour is very sensitive to composition. Tuning composition affords liquids that neck to form filaments capable of being drawn to large elongations without failure. We interpret our data by invoking strain-dependent association and dissociation rates for the alginates. High association rates at high strain result in materials with viscoelastic liquid like behaviour.

}, issn = {1744-683X}, doi = {10.1039/c8sm02093k}, author = {Suresh, Karthika and Haering, Marleen and Kumaraswamy, Guruswamy and Diaz Diaz, David} } @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 {45614, title = {Squaraine-linked metalloporphyrin two-dimensional polymer photocatalyst for hydrogen and oxygen evolution reactions}, journal = {Chemical Communications}, volume = {55}, year = {2019}, month = {JAN}, pages = {1627-1630}, type = {Article}, abstract = {Efficient water splitting photocatalysts are an energetically demanding and cost-effective method for generating renewable energy. Significant research has been reported to advance this approach. However, the use of organic photocatalysts and the presence of residual catalysts trapped in the porous frameworks present major concerns about the efficiency of this strategy. Herein, we report the photocatalytic evolution of H2 and O2 by a multi-hydroxyl group-decorated metalloporphyrin-based two-dimensional catalyst developed via metal catalyst-free synthetic route. Though metalloporphyrins have long been used for catalytic functions, a heterogeneous photocatalyst delivering both H2 and O2 has not yet been realized. This polymer catalyst design enables the photocatalytic diatomic O2 release, a bottleneck in water splitting, in a facile way. Photocatalytic release of H2 as well as O2 occurs with long-term durability of 20 cycles in 300 days with negligible decrease in efficiency, thus demonstrating the excellent performance of this new catalyst.}, doi = {10.1039/C8CC09132C}, author = {Ranjeesh, K. C. and George, L. and Wakchaure, V. C. and Goudappagouda and Devi, R. N. and Babu, S. S.} } @article {46201, title = {Synthesis and biological evaluation of 2,4,5-trisubstituted thiazoles as antituberculosis agents effective against drug-resistant tuberculosis}, journal = {European Journal of Medicinal Chemistry}, volume = {178}, year = {2019}, month = {SEP}, pages = {315-328}, type = {Article}, abstract = {

The dormant and resistant form of Mycobacterium tuberculosis presents a challenge in developing new anti-tubercular drugs. Herein, we report the synthesis and evaluation of trisubstituted thiazoles as antituberculosis agents. The SAR study has identified a requirement of hydrophobic substituent at C2, ester functionality at C4, and various groups with hydrogen bond acceptor character at C5 of thiazole scaffold. This has led to the identification of 13h and 13p as lead compounds. These compounds inhibited the dormant Mycobacterium tuberculosis H37Ra strain and M. tuberculosis H37Rv selectively. Importantly, 13h and 13p were non-toxic to CHO cells. The 13p showed activity against multidrug-resistant tuberculosis isolates. (C) 2019 Elsevier Masson SAS. All rights reserved.

}, doi = {10.1016/j.ejmech.2019.05.082}, author = {Karale, Uttam B. and Krishna, Vagolu Siva and Krishna, E. Vamshi and Choudhari, Amit S. and Shukla, Manjulika and Gaikwad, Vikas R. and Mahizhaveni, B. and Chopra, Sidharth and Misra, Sunil and Sarkar, Dhiman and Sriram, Dharmarajan and Dusthackeer, V. N. Azger and Rode, Haridas B.} } @article {45575, title = {Synthesis and characterization of zinc oxide nanoparticles by using polyol chemistry for their antimicrobial and antibiofilm activity}, journal = {Biochemistry and Biophysics Reports }, volume = {17}, year = {2019}, month = {MAR}, pages = {71-80}, type = {Article}, abstract = {The present investigation deals with facile polyol mediated synthesis and characterization of ZnO nanoparticles and their antimicrobial activities against pathogenic microorganisms. The synthesis process was carried out by refluxing zinc acetate precursor in diethylene glycol(DEG) and triethylene glycol(TEG) in the presence and in the absence of sodium acetate for 2 h and 3 h. All synthesized ZnO nanoparticles were characterized by X-ray diffraction (XRD), UV visible spectroscopy (UV), thermogravimetric analysis (TGA), fourier transform infrared spectroscopy (FTIR), field emission scanning electron microscopy(FESEM), transmission electron microscopy (TEM) and energy dispersive X-ray spectroscopy (EDX) technique. All nanoparticles showed different degree of antibacterial and antibiofilm activity against Gram-positive Staphylococcus aureus (NCIM 2654)and Gram-negative Proteus vulgaris (NCIM 2613). The antibacterial and antibiofilm activity was inversely proportional to the size of the synthesized ZnO nanoparticles. Among all prepared particles, ZnO nanoparticles with least size (~ 15 nm) prepared by refluxing zinc acetate dihydrate in diethylene glycol for 3 h exhibited remarkable antibacterial and antibiofilm activity which may serve as potential alternatives in biomedical application.}, doi = {10.1016/j.bbrep.2018.11.007}, author = {Mahamuni, P. P. and Patil, P. M. and Dhanavade, M. J. and Badiger, M. V. and Shadija, P. G. and Lokhande, A. C. and Bohara, R. A.} } @article {46248, title = { Synthesis and reactivity of a hypersilylsilylene }, journal = {Inorganic chemistry}, volume = {58}, year = {2019}, month = {AUG}, pages = {10536-10542}, type = {Article}, abstract = {

Stabilization of an amidinatosilylene with a bulky tris(trimethylsilyl)silyl substituent was realized with the preparation of PhC(NtBu)(2)Si{Si(SiMe3)(3)} (1) from PhC(NtBu)(2)SiHCl2 with K{Si(SiMe3)(3)} in more than 90\% yield. The highly deshielded Si-29 NMR resonance (delta = 76.91 ppm) can be attributed to the absence of a pi-donating substituent. The molecular structure of 1 shows a trigonal-planar geometry around the Si-II center with a Si-II-Si-IV bond length of 2.4339(13) angstrom. A series of reactions of 1 with Me3NO, S, Se, and Te were performed. While siloxane derivatives (2 and 3) are obtained from reactions with Me3NO, silachalcogenones (4-6) are formed with other chalcogens. The presence of Si=E (E = S, Se, and Te) bonds in 4-6 have been confirmed by single crystal X-ray studies. Silaoxirane (7) formation was observed when 1 was treated with acetone, demonstrating the importance of the tris(trimethylsilyl)silyl group to kinetically and thermodynamically protect the silaoxirane derivative with less bulky substituents on the C atom.

}, doi = {10.1021/acs.inorgchem.9b00418}, author = {Bisai, Milan Kumar and Swamy, V. S. V. S. N. and Das, Tamal and Vanka, Kumar and Gonnade, Rajesh G. and Sen, Sakya S.} } @article {46417, title = {Synthesis of a 3D free standing crystalline NiSex matrix for electrochemical energy storage applications}, journal = {Dalton Transactions}, volume = {48}, year = {2019}, month = {DEC }, pages = {16873-16881}, type = {Article}, abstract = {

The electrochemical performance for energy storage of three-dimensional (3D) self-supported heterogeneous NiSex cubic-orthorhombic nanocrystals grown by a facile one-step chemical vapour deposition (CVD) approach on Ni foam substrates has been explored. NiSex shows a high specific capacitance of 1333 F g(-1) with ultra-high energy (105 W h kg(-1)) and power (54 kW kg(-1)) densities. Furthermore, by integrating the as-grown NiSex as the anode and reduced graphene oxide as the cathode, a hybrid super-capacitor (HSC) prototype with a coin cell configuration has been fabricated. The device shows better capacitance (40 F g(-1)) with high energy (22 W h kg(-1)) and power (5.8 kW kg(-1)) densities and robust cycling durability (similar to 88\% capacitance retention after 10 000 repeated cycles). For practical reliability of the as-fabricated HSC, a red LED has been illuminated by connecting it with two charged coin cells. These outstanding performances of the HSC prove to be promising for applications in high energy storage systems.

}, issn = {1477-9226}, doi = {10.1039/c9dt03150b}, author = {Dinara, Syed Mukulika and Samantara, Aneeya K. and Das, Jiban K. and Behera, J. N. and Nayak, Saroj K. and Late, Dattatray J. and Rout, Chandra Sekhar} } @article {46314, title = {Synthesis of new 1,3,4-oxadiazole and benzothiazolylthioether derivatives of 4-arylmethylidene-3-substituted-isoxazol-5(4H)-one as potential antimycobacterial agents}, journal = {Medicinal Chemistry Research}, volume = {28}, year = {2019}, month = {NOV}, pages = {1873-1884}, type = {Article}, abstract = {

A new series of 4-[(substituted benzylidene)-3-[(5-(pyridine-4-yl)-1,3,4-oxadiazole-2-ylthio)-methyl]i soxazol-5(4H)-one (6a-g) and 4-(substituted benzylidene)-3-((benzo[d]thiazol-2-ylthio)methyl)isoxazol-5(4H)-one (8a-g) was synthesized. All the synthesized compounds were screened for antitubercular activity against Mycobacterium tuberculosis H37Ra (ATCC 25177) and Mycobacterium bovis BCG (ATCC 35743) and antibacterial activity against Escherichia coli (NCIM 2576), Pseudomonas flurescence (NCIM 2059), Staphylococcus aureus (NCIM 2602), Bacillus subtilis (NCIM 2162). Amongst the synthesized 1,3,4-oxadiazole and benzothiazoyl thioether derivatives, compounds 6b and 8b showed excellent antimycobacterial activity and compounds 6b, 8a, 8b, and 8d showed excellent antibacterial activity against all tested antibacterial strains. The synthesized compounds were further evaluated for their cytotoxic activity against the HCT 116 and HeLa cancer cell lines. The 1,3,4-oxadiazole and benzothiazoyl thioether derivatives 6a-g and 8a-g did not show cytotoxicity.

}, keywords = {1, 3, 4-Oxadiazole, antibacterial activity, Antitubercular activity, Benzothiazol, Isoxazol-5(4H)-one, Thioeteher}, issn = {1054-2523}, doi = {10.1007/s00044-019-02420-7}, author = {Chavan, Abhijit P. and Deshpande, Rujuta R. and Borade, Nandkumar A. and Shinde, Abhijit and Mhaske, Pravin C. and Sarkar, Dhiman and Bobade, Vivek D.} } @article {46116, title = {Taxonomic insights into the phylogeny of Bacillus badius and proposal for its reclassification to the genus Pseudobacillus as Pseudobacillus badius comb. nov. and reclassification of Bacillus wudalianchiensis Liu et al.}, journal = {Systematic and Applied Microbiology}, volume = {42}, year = {2019}, month = {MAY}, pages = {360-372}, type = {Article}, abstract = {

The species Bacillus badius is one of the oldest members of the genus Bacillus isolated from faeces of children and was classified based on its ability to form endospores [8]. In 16S rRNA gene sequence and phylogenetic analysis, Bacillus badius DSM 23(T) shared low similarity (93.0\%) and distant relationship with B. subtilis, the type species of the genus Bacillus indicating that it does not belong to this genus. Additional strains of the species, B. badius DSM 5610, DSM 30822 and B. encimensis SGD-V-25 (which has been recently reclassified as a member of this species) were included in the study to consider intraspecies diversity. Detailed molecular phylogenetic and comparative genome analysis clearly showed that the strains of B. badius were consistently retrieved outside the cluster of Bacillus sensu stricto and also distantly related to the genera Domibacillus and Quasibacillus. Further, the data from biochemical reactions (inability to ferment most carbohydrates), polar lipids profile (presence of diphosphatidylglycerol, phosphatidylglycerol, phosphatidylethanolamine and an aminophosphoglycolipid) and fatty acids supported the molecular analysis. Thus the four B. badius strains; DSM 23(T), DSM 5610, DSM 30822 and SGD-V-25 displayed sufficient demarcating phenotypic characteristics that warrant their classification as members of a novel genus and single species, for which the name Pseudobacillus badius gen. nov. comb. nov. is proposed with Pseudobacillus badius DSM 23(T) (= ATCC 14574(T)) as the type strain. Additionally, based on our findings from phenotypic, chemotaxonomic and genotypic parameters, Bacillus wudalianchiensis DSM 100757(T) was reclassified as Pseudobacillus wudalianchiensis comb. nov. (C) 2019 Elsevier GmbH. All rights reserved.

}, keywords = {16S rRNA, Bacillus, Bacillus wudalianchiensis, Fatty acids, polar lipids, Pseudobacillus}, issn = {0723-2020}, doi = {10.1016/j.syapm.2019.03.003}, author = {Verma, Ashish and Pal, Yash and Ojha, Anup Kumar and Kumari, Munesh and Khatri, Indu and Rameshkumar, N. and Schumann, Peter and Dastager, Syed G. and Mayilraj, Shanmugam and Subramanian, Srikrishna and Krishnamurthi, Srinivasan} } @article {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 {45627, title = {Utilization of waste biomass for the synthesis of functionalizable support for covalent anchoring of active organo catalyst}, journal = {ACS Sustainable Chemistry \& Engineering}, volume = {7}, year = {2019}, month = {JAN}, pages = {3018{\textendash}3026}, type = {Article}, abstract = {A single step synthetic procedure for carbon microspheres from agricultural waste residue (sugarcane bagasse) by low-temperature hydrothermal carbonization using oxalic acid as a hydrating/dehydrating agent is developed. The FTIR and XPS spectroscopy analysis indicates the presence of -OH, -COOH, and C=O functional groups on the surfaces of carbon spheres. These functional groups of the carbon spheres were utilized as a novel route to anchor 3-aminopropyl-triethoxysilane and 3-(2-aminoethylamino)propyl)-trimethoxysilane via condensation of triethoxy/trimethoxy silanes for the synthesis of organo base supported on carbon catalysts. The catalytic activity of the obtained supported organo-base catalyst was demonstrated for C{\textendash}C bond forming (Henry) reaction. Among all prepared catalysts, 3-(2-aminoethylaminopropyl)-trimethoxysilane grafted in toluene showed high conversion (up to 100\%) of aldehydes with excellent selectivity toward β-nitrostyrene. The catalyst was reused five times without losing significant activity for the same reaction.}, author = {Doke, D. S. and Advani, J. H. and Naikwadi, D. R. and Gawande, M. B. and Walke, P. and Umbarkar, S. B. and Biradar, A. V.} } @article {46230, title = {Vanadium-based highly active and selective catalysts for oxidative dehydrogenation of ethyl lactate to ethyl pyruvate}, journal = {Applied Catalysis A: General}, volume = {587}, year = {2019}, month = {SEP}, type = {Article}, abstract = {

Pyruvates are important intermediates for various bioactive and pharmaceutical molecules. Synthesis of pyruvates is challenging due to low selectivity, as the pyruvates are prone to polymerisation. In the present work, oxidative dehydrogenation of ethyl lactate to ethyl pyruvate was carried out under very mild conditions using vanadium-based homogeneous and heterogeneous catalysts in the presence of aqueous\ t-butyl hydroperoxide as an oxidant. Homogenous vanadium-based catalyst, VO(acac)2\ in acetonitrile solvent, gave excellent conversion (upto 83\%) with 100\% selectivity to ethyl pyruvate at room temperature. However, the heterogeneous catalyst, V2O5\ exhibited very high activity for oxidative dehydrogenation of ethyl lactate only at higher temperature (80 {\textdegree}C). At higher temperature, significant TBHP decomposition was observed if all TBHP was added in one lot. In case of ethyl lactate dehydrogenation using V2O5\ catalyst at 80 {\textdegree}C with two equivalents TBHP, 60\% ethyl lactate conversion with 100\% TBHP conversions were observed after 5 h when all TBHP was added initially in the reaction mixture. However, the ethyl lactate conversion at 80 {\textdegree}C, after 5 h increased to 72\% when the same amount of TBHP was added batch wise over a period of 4 h, indicating improved conversion of TBHP to ethyl pyruvate. The heterogeneous catalyst, V2O5\ exhibited up to 98\% conversion with 100\% ethyl pyruvate selectivity at 80 {\textdegree}C after 10 h with 3 equivalent TBHP added batch wise. The homogeneous catalyst could not be reused while V2O5\ could be successfully recycled five times without catalytic performances loss. Oxidation proceeds by radical mechanism, as proved by experiment with radical scavenger.

}, doi = {10.1016/j.apcata.2019.117246}, author = {Doke, Dhananjay and Khomane, Sonali B. and Pandhare, Swati and Dongare, Mohan K. and Dumeignil, Franck and Umbarkar, Shubhangi} } @article {46680, title = {Access to diverse germylenes and a six-membered dialane with a flexible beta-diketiminate}, journal = {Chemical Communications}, volume = {56}, year = {2020}, month = {OCT}, pages = {11871-11874}, type = {Article}, abstract = {

A nacnac-based tridentate ligand containing a picolyl group (L) was employed to isolate chlorogermylene (1). The reaction of1with another equivalent of GeCl2 center dot dioxane surprisingly gave pyridylpyrrolide-based chlorogermylene (2)viaC-N bond cleavage and C-C coupling, while with AlCl3, it afforded a transmetalated product,4. The reaction of L with AlH3 center dot NMe2Et led to an unusual cyclohexane type six-membered dialane heterocycle (5).

}, issn = {1359-7345}, doi = {10.1039/d0cc05202g}, author = {Pahar, Sanjukta and Swamy, V. S. V. S. N. and Das, Tamal and Gonnade, Rajesh G. and Vanka, Kumar and Sen, Sakya S.} } @article {46646, title = {Actin-mediated microglial chemotaxis via G-protein coupled purinergic receptor in alzheimer{\textquoteright}s disease}, journal = {Neuroscience}, volume = {448}, year = {2020}, month = {NOV }, pages = {325-336}, type = {Review}, abstract = {

Alzheimer{\textquoteright}s disease (AD) is a neurodegenerative disease mainly associated with aging, oxidative stress and genetic mutations. There are two pathological proteins involved in AD; Amyloid-beta peptide and microtubule-associated protein Tau (MAPT). The beta- and gamma-secretase enzyme cleaves the Amyloid precursor protein, which results in the formation of extracellular plaques in brain. While, Tau undergoes hyperphosphorylation and other post-translational modifications (PTMs), which eventually generates Tau oligomers, and intracellular neurofibrillary tangles (NFTs) in neurons. Moreover, the brain-resident glia and infiltrated macrophages elevate the level of CNS inflammation, which trigger the oxidative damage of neuronal circuits by reactive oxygen species (ROS) and Nitric oxide (NO). Microglia is the primary immune cell in the CNS, which is continuously surveilling the neuronal synapses and pathogen invasion. Microglia in the resting state is called {\textquoteleft}Ramified{\textquoteright}, which possess long surveilling extensions with a small cell body. But, upon activation, microglia retracts the cellular extensions and transform into round migratory cells, called as {\textquoteleft}Amoeboid{\textquoteright} state. Activated microglia undergoes actin remodeling by forming lamellipodia and filopodia, which directs the migratory axis while podosomes formed are involved in extracellular matrix degradation for invasion. Protein-aggregates in malfunctioning synapses and in CNS milieu can be detected by microglia, which results in its activation and migration. Subsequently, the phagocytosis of synapses leads to the inflammatory burst and memory loss. The extracellular nucleotides released from damaged neurons and the cytokine-chemokine gradients allow the neighboring microglia and macrophages to migrate-infiltrate at the site of neuronal-damage. The ionotropic (P2XR) and metabotropic (P2YR) purinergic receptor recognize extracellular ATP/ADP, which propagates through the intracellular calcium signaling, chemotaxis, phagocytosis and inflammation. The P2Y receptors give {\textquoteleft}find me{\textquoteright} or {\textquoteleft}eat me{\textquoteright} signals to microglia to either migrate or phagocytose cellular debris. Further, the actin cytoskeleton helps microglia to mediate directed chemotaxis and neuronal repair during neurodegeneration. Hence, we aim to emphasize the connection between purinergic signaling and actin-driven mechanical movements of microglia for migration and inflammation in AD. (C) 2020 IBRO. Published by Elsevier Ltd. All rights reserved.

}, keywords = {actin remodeling, Alzheimer{\textquoteright}s disease, microglia, P2Y signaling, purinergic GPCRs, Tauopathy}, issn = {0306-4522}, doi = {10.1016/j.neuroscience.2020.09.024}, author = {Das, Rashmi and Chinnathambi, Subashchandrabose} } @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 {46750, title = {AIE emission of SDS capped diphenylanthracene nanoparticles for selective recognition and estimation of Al(3+)ion in aqueous medium based on enhancement effect and analytical application}, journal = {Macromolecular Symposia}, volume = {392}, year = {2020}, month = {AUG}, pages = {2000082}, type = {Proceedings Paper}, abstract = {

The sodium dodecyl sulfate capped 9,10 Diphenylanthracene nanoparticles is prepared by using reprecipitation method. The average particle size of NPs obtained from DLS examination is 67 nm. The aqueous suspension of NPs exhibits red shifted aggregation induces enhanced emission. The zeta potential value-42.9 mV indicates stability of NPs and generation of expected negative surface charge over the NPs to attract and adsorb cations from the solution on the surface. The cation recognition test based on fluorescence shows that the presence of Al(3+)ion significantly enhances the fluorescence of NPs. Furthermore, the proposed system is successfully applied for the detection of Al(3+)ion from environmental water samples and Digene table available in the market. The advantage of developed analytical method is lower value of LOD and even in presence of interfering ion Mg(2+)the Al(3+)is estimated with no need of their separation prior to analysis.

}, keywords = {10-Diphenyl anthracene nanoparticles, aggregation induced enhanced emission, Al(3+)detection, fluorescence enhancement, SDS capped 9}, issn = {1022-1360}, doi = {10.1002/masy.202000082}, author = {Suryawanshi, Sonali B. and Deshmukh, Gunvant R. and Bodake, Anita J. and Patil, Shivajirao R.} } @article {46832, title = {Alpha-Angelica lactone catalyzed oxidation of benzylic sp(3) C-H bonds of isochromans and phthalans}, journal = {Organic \& Biomolecular Chemistry}, volume = {18}, year = {2020}, month = {JUN }, pages = {4046-4050}, type = {Article}, abstract = {

A metal-free organocatalytic system has been developed for highly efficient benzylic C-H oxygenations of cyclic ethers using oxygen as an oxidant. This oxidation reaction utilizes alpha-angelica lactone as a low cost/low molecular weight catalyst. The optimized reaction conditions allow the synthesis of valued isocoumarins and phthalides from readily available precursors in good yields. Mechanistic studies indicate that the reaction pathway likely involves a radical process via a peroxide intermediate.

}, issn = {1477-0520}, doi = {10.1039/d0ob00729c}, author = {Thatikonda, Thanusha and Deepake, Siddharth K. and Kumar, Pawan and Das, Utpal} } @article {46629, title = {Amphiphilic mannose-6-phosphate glycopolypeptide-based bioactive and responsive self-assembled nanostructures for controlled and targeted lysosomal cargo delivery}, journal = {Biomaterials Science}, volume = {8}, year = {2020}, month = {NOV }, pages = {6322-6336}, type = {Article}, abstract = {

Receptors of carbohydrate mannose-6-phosphate (M6P) are overexpressed in specific cancer cells (such as breast cancer) and are also involved in the trafficking of mannose-6-phosphate labeled proteins exclusively onto lysosomes via cell surface M6P receptor (CI-MPR) mediated endocytosis. Herein, for the first time, mannose-6-phosphate glycopolypeptide ((M6P)GP)-based bioactive and stimuli-responsive nanocarriers are reported. They are selectively taken up via receptor-mediated endocytosis, and trafficked to lysosomes where they are subsequently degraded by pH or enzymes, leading to the release of the cargo inside the lysosomes. Two different amphiphilic M6P block copolymers (M6P)GP(15)-(PPO44)-P-A and (M6P)GP(15)-(PCL25)(2) were synthesized by click reaction of the alkyne end-functionalized (M6P)GP(15) with pH-responsive biocompatible azide end-functionalized acetal PPO and azide end-functionalized branched PCL, respectively. In water, the amphiphilic M6P-glycopolypeptide block copolymers self-assembled into micellar nanostructures, as was evidenced by DLS, TEM, AFM, and fluorescence spectroscopy techniques. These micellar systems were competent to encapsulate the hydrophobic dye rhodamine-B-octadecyl ester, which was used as the model drug. They were stable at physiological pH but were found to disassemble at acidic pH (for (M6P)GP(15)-(PPO44)-P-A) or in the presence of esterase (for (M6P)GP(15)-(PCL25)(2)). These (M6P)GP based micellar nanoparticles can selectively target lysosomes in cancerous cells such as MCF-7 and MDA-MB-231. Finally, we demonstrate the clathrin-mediated endocytic pathway of the native FL-(M6P)GP polymer and RBOE loaded (M6P)GP micellar-nanocarriers, and selective trafficking of MCF-7 and MDA-MB-231 breast cancer cell lysosomes, demonstrating their potential applicability toward receptor-mediated lysosomal cargo delivery.

}, issn = {2047-4830}, doi = {10.1039/d0bm01469a}, author = {Mondal, Basudeb and Pandey, Bhawana and Parekh, Nimisha and Panda, Sidharth and Dutta, Tahiti and Padhy, Abinash and Sen Gupta, Sayam} } @article {46796, title = {Anthrone-spirolactam and quinoline hybrid based sensor for selective fluorescent detection of Fe(3+)ions}, volume = {34}, year = {2020}, month = {OCT}, pages = {e5867}, type = {Article}, abstract = {

The synthesis of a novel, and highly selective Fe(3+)ion sensor based on anthrone-spirolactam and its quinoline hybrid ligand is reported. The designed ligand displayed selective detection of Fe(3+)ions with enhanced fluorescence emission. The complexation of Fe(3+)ion led to a red shift of 32 nm from 420 nm to 452 nm, and a several fold increase in intensity with fluorescent green emission. The complexation (detection) of Fe(3+)ions with ligand resulted in chelation enhanced fluorescence and intramolecular charge transfer through the inhibition of C=N isomerization. This hybrid sensor shows high sensitivity and selectivity, spontaneous response, and works on a wide pH range a minimum detection limit of 6.83 x 10(-8)M. Importantly, the sensor works through the fluorescence turn-on mechanism that overcomes the paramagnetic effect of Fe(3+)ions. The binding mechanism between the ligand and the Fe(3+)ions was established from the Job{\textquoteright}s plot method, optical studies, Fourier transfor infrared spectroscopy, NMR titration, fluorescence life-time studies, and density functional theory optimization. The sensor displayed excellent results in the quantification of Fe(3+)ions from real water samples. Furthermore, due to its biocompatibility nature, fluorescent spotting of Fe(3+)ions in live cells revealed its bioimaging applications.

}, keywords = {anthrone-spirolactam-quinoline, Cell imaging, fluorescence, intramolecular charge transfer, iron}, issn = {0268-2605}, doi = {10.1002/aoc.5867, Early Access Date = JUL 2020}, author = {Darole, Ratanamala S. and Christopher Leslee, Denzil Britto and Mukherjee, Anagh and Gonnade, Rajesh G. and Karuppannan, Sekar and Senthilkumar, Beeran} } @article {46752, title = {Antibacterial properties of glycosylated surfaces: variation of the glucosidal moiety and fatty acid conformation of grafted microbial glycolipids}, journal = {Molecular Systems Design \& Engineering}, volume = {5}, year = {2020}, month = {AUG}, pages = {1307-1316}, type = {Article}, abstract = {

Glycosylated surfaces can display antimicrobial properties. It has been shown that sophorolipids can be used to develop biocidal coatings against Gram-positive and Gram-negative bacteria, but with a limited efficiency so far. Therefore, it appears necessary to further investigate the surface antibacterial activity of a broader set of structurally related glycolipids. The present work explores the influence of the glucosidic moiety (gluco-, sophoro-, cellobio-) and the fatty acid backbone (saturated,cisortransmonounsaturated). We show that the fatty acid backbone plays an important role:cisderivative of sophorolipids (SL) grafted onto model gold surfaces has better biocidal properties than saturated (SL0) andtransmonounsaturated (SLt) molecules, which appear to be inefficient. The number of glucose units is also a key factor: a one-third decrease in antibacterial activity is observed when having one glucose unit (GL) compared to two (SL). Sugar acetylation (SLa) does not seem to have an impact on the biocidal properties of surfaces. These results are not limited to sophorolipids, with cellobioselipids (CL) leading to similar antibacterial observations.

}, issn = {2058-9689}, doi = {10.1039/d0me00059k}, author = {Valotteau, Claire and Roelants, Sophie L. K. V. and Dhasaiyan, Prabhu and Zibek, Susanne and Guenther, Michael and Soetaert, Wim and Everaert, Bernd and Pradier, Claire-Marie and Babonneau, Florence and Baccile, Niki and Humblot, Vincent} } @article {46902, title = {Antimicrobial profiling of coral reef and sponge associated bacteria from southeast coast of India}, volume = {141}, year = {2020}, month = {APR}, pages = {103972}, type = {Article}, abstract = {

Culturable bacteria associated with marine sponges and coral mucus (collected from Gulf of Mannar and Palk Bay) were screened for their prospective antimicrobial compounds against 9 bacterial pathogens (Bacillus megaterium, B. cereus, Salmonella typhimurium, Staphylococcus aureus, Proteus vulgaris, Klebsillla pneumoniae, Escherichia coli, Pseudomonas aeruginosa and Acinetobacter baumannii) and a fungal pathogen (Candida albicans). Of the 263 bacterial isolates obtained during this study, 52 isolates displayed antimicrobial activity against one or more pathogens. 16S rRNA gene sequencing revealed that these 52 strains affiliated to 14 genera from three phyla Proteobacteria, Firmicutes and Actinobacteria. Sponge associated bacterial strains F-04, 1-23, 1-33 and G-03 inhibited the growth of all the bacterial pathogens tested in this study and significantly the former 2 strains inhibited the growth of fungal pathogen also. Majority of the potential strains (88.4\% out of 52 strains) inhibited the growth of Bacillus cereus. Interestingly, an actinomycete strain F-04 (isolated from sponge Orina sagittaria) inhibited the growth of methicillin resistant Staphylococcus aureus. In total, 10 volatile organic compounds were determined from the ethyl acetate and hexane extract of the strain F-04 using GC-MS. Overall, marine bacteria isolated during this study demonstrate the potential for the development of broad spectrum antibiotics.

}, keywords = {Anti-MRSA, Antimicrobial activity, Bacterial diversity, Coral reef, Sponge}, issn = {0882-4010}, doi = {10.1016/j.micpath.2020.103972}, author = {Rajasabapathy, Raju and Ghadi, Sanjeev C. and Manikandan, Balakrishnan and Mohandass, Chellandi and Surendran, Akhila and Dastager, Syed G. and Meena, Ram M. and James, Rathinam Arthur} } @article {46625, title = {Approach to nigericin derivatives and their therapeutic potential}, journal = {RSC Advances}, volume = {10}, year = {2020}, month = {NOV }, pages = {43085-43091}, type = {Article}, abstract = {

A new nigericin analogue that has been chemically modified was synthesized through a fluorination process from the parent nigericin, produced from a novel Streptomyces strain DASNCL-29. Fermentation strategies were designed for the optimised production of nigericin molecule and subjected for purification and structural analysis. The fermentation process resulted in the highest yield of nigericin (33\% (w/w)). Initially, nigericin produced from the strain DASNCL-29 demonstrated polymorphism in its crystal structure, i.e., monoclinic and orthorhombic crystal lattices when crystallised with methanol and hexane, respectively. Furthermore, nigericin produced has been subjected to chemical modification by fluorination to enhance its efficacy. Two fluorinated analogues revealed that they possess a very potent antibacterial activity against Gram positive and Gram negative bacteria. To date, the nigericin molecule has not been reported for any reaction against Gram-negative bacteria, which are increasingly becoming resistant to antibiotics. For the first time, fluorinated analogues of nigericin have shown promising activity. In vitro cytotoxicity analysis of fluorinated analogues demonstrated tenfold lesser toxicity than the parent nigericin. This is the first type of study where the fluorinated analogues of nigericin showed very encouraging activity against Gram-negative organisms; moreover, they can be used as a candidate for treating many serious infections.

}, doi = {10.1039/d0ra05137c}, author = {Sahu, Amit Kumar and Said, Madhukar S. and Hingamire, Tejashri and Gaur, Megha and Khan, Abujunaid and Shanmugam, Dhanasekaran and Barvkar, Vitthal T. and Dharne, Mahesh S. and Bharde, Atul A. and Dastager, Syed G.} } @article {46614, title = {Bacterial biofilm formation using PCL/curcumin electrospun fibers and its potential use for biotechnological applications}, journal = {Materials}, volume = {13}, year = {2020}, month = {DEC}, pages = {5556}, type = {Article}, abstract = {

Electrospun nanofibers are used for many applications due to their large surface area, mechanical properties, and bioactivity. Bacterial biofilms are the cause of numerous problems in biomedical devices and in the food industry. On the other hand, these bacterial biofilms can produce interesting metabolites. Hence, the objective of this study is to evaluate the efficiency of poly (x190;- caprolactone)/Curcumin (PCL/CUR) nanofibers to promote bacterial biofilm formation. These scaffolds were characterized by scanning electron microscopy (SEM), which showed homogeneous fibers with diameters between 441-557 nm; thermogravimetric analysis and differential scanning calorimetry (TGA and DSC) demonstrated high temperature resilience with degradation temperatures over \>350 degrees C; FTIR and H-1-NMR serve as evidence of CUR incorporation in the PCL fibers. PCL/CUR scaffolds successfully promoted the formation of Escherichia coli, Staphylococcus aureus and Pseudomonas aeruginosa biofilms. These results will be valuable in the study of controlled harvesting of pathogenic biofilms as well as in metabolites production for biotechnological purposes.

}, keywords = {Bacteria, curcumin, electrospinning, Escherichia coli, Pseudomona aeruginosa, Staphylococcus aureus}, doi = {10.3390/ma13235556}, author = {Pompa-Monroy, Daniella Alejandra and Figueroa-Marchant, Paulina Guadalupe and Dastager, Syed G. and Thorat, Meghana Namdeo and Iglesias, Ana Leticia and Miranda-Soto, Valentin and Perez-Gonzalez, Graciela Lizeth and Villarreal-Gomez, Luis Jesus} } @article {46933, title = {Basic limonoid modulates chaperone-mediated proteostasis and dissolve Tau fibrils}, journal = {Scientific Reports}, volume = {10}, year = {2020}, month = {MAR}, pages = {4023}, type = {Article}, abstract = {

The Alzheimer{\textquoteright}s disease pathology is associated with accumulation of intracellular neurofibrillary tangles and extracellular senile plaques. The formation of initial nucleus triggers conformational changes in Tau and leads to its deposition. Hence, there is a need to eliminate these toxic proteins for proper functioning of neuronal cells. In this aspect, we screened the effect of basic limonoids such as gedunin, epoxyazadiradione, azadirone and azadiradione on inhibiting Tau aggregation as well as disintegration of induced Tau aggregates. It was observed that these basic limonoids effectively prevented aggregates formation by Tau and also exhibited the property of destabilizing matured Tau aggregates. The molecular docking analysis suggests that the basic limonoids interact with hexapeptide regions of aggregated Tau. Although these limonoids caused the conformational changes in Tau to beta-sheet structure, the cytological studies indicate that basic limonoids rescued cell death. The dual role of limonoids in Tau aggregation inhibition and disintegration of matured aggregates suggests them to be potent molecules in overcoming Tau pathology. Further, their origin from a medicinally important plant neem, which known to possess remarkable biological activities was also found to play protective role in HEK293T cells. Basic limonoids were non-toxic to HEK293T cells and also aided in activation of HSF1 by inducing its accumulation in nucleus. Western blotting and immunofluorescence studies showed that HSF1 in downstream increased the transcription of Hsp70 thus, aggravating cytosolic Hsp70 levels that can channel clearance of aberrant Tau. All these results mark basic limonoids as potential therapeutic natural products.

}, issn = {2045-2322}, doi = {10.1038/s41598-020-60773-1}, author = {Gorantla, Nalini Vijay and Das, Rashmi and Chidambaram, Hariharakrishnan and Dubey, Tushar and Mulani, Fayaj A. and Thulasiram, V. Hirekodathakallu and Chinnathambi, Subashchandrabose} } @article {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 {46742, title = {Biosensors: frontiers in rapid detection of COVID-19}, journal = {3 Biotech}, volume = {10}, year = {2020}, month = {AUG}, pages = {385}, type = {Review}, abstract = {

The rapid community-spread of novel human coronavirus 2019 (nCOVID19 or SARS-Cov2) and morbidity statistics has put forth an unprecedented urge for rapid diagnostics for quick and sensitive detection followed by contact tracing and containment strategies, especially when no vaccine or therapeutics are known. Currently, quantitative real-time polymerase chain reaction (qRT-PCR) is being used widely to detect COVID-19 from various types of biological specimens, which is time-consuming, labor-intensive and may not be rapidly deployable in remote or resource-limited settings. This might lead to hindrance in acquiring realistic data of infectivity and community spread of SARS-CoV-2 in the population. This review summarizes the existing status of current diagnostic methods, their possible limitations, and the advantages of biosensor-based diagnostics over the conventional ones for the detection of SARS-Cov-2. Novel biosensors used to detect RNA-viruses include CRISPR-Cas9 based paper strip, nucleic-acid based, aptamer-based, antigen-Au/Ag nanoparticles-based electrochemical biosensor, optical biosensor, and Surface Plasmon Resonance. These could be effective tools for rapid, authentic, portable, and more promising diagnosis in the current pandemic that has affected the world economies and humanity. Present challenges and future perspectives of developing robust biosensors devices for rapid, scalable, and sensitive detection and management of COVID-19 are presented in light of the test-test-test theme of the World Health Organization (WHO).

}, keywords = {Biosensors, COVID-19, Rapid detection, SARS-CoV-2}, issn = {2190-572X}, doi = {10.1007/s13205-020-02369-0}, author = {Samson, Rachel and Navale, Govinda R. and Dharne, Mahesh S.} } @article {46606, title = {Bis(silanetellurone) with C-H center dot center dot center dot Te Interaction}, journal = {Inorganic Chemistry}, volume = {59}, year = {2020}, month = {DEC }, pages = {17811-17821}, type = {Article}, abstract = {

Herein, we report the synthesis of a series of bis(silanechalcogenones) [Ch = Te (2), S (3), or Se (4)] using an N-heterocyclic silylene-based SiCSi pincer ligand (1). 2 is the first example of a bis(silanetellurone) derivative. The bonding patterns of 2-4 were extensively studied by natural bond orbital, quantum theory of atoms in molecules, and noncovalent interaction index analyses, and these exhibit weak C-H center dot center dot center dot Ch interaction. The analogous reaction of 1 with trimethyl N-oxide produced a novel bis(cyclosiloxane) derivative (5). All of the complexes are duly characterized by single-crystal X-ray diffraction studies, multinuclear nuclear magnetic resonance (H-1, C-13, and Si-29) spectroscopy, and high-resolution mass spectrometry.

}, issn = {0020-1669}, doi = {10.1021/acs.inorgchem.0c03098}, author = {Ghosh, Moushakhi and Panwaria, Prakash and Tothadi, Srinu and Das, Aloke and Khan, Shabana} } @article {47148, title = {Carbon supported size-controlled ru catalysts for selective levulinic acid hydrogenation into γ-valerolactone}, journal = {Journal of Siberian Federal University-Chemistry}, volume = {13}, year = {2020}, month = {JAN}, pages = {5-16}, type = {Article}, abstract = {

Liquid phase levulinic acid hydrogenation into γ-valerolactone in 1,4-dioxane as a solvent (165{\textdegree}C, 20 bar) was studied over a range of Ru monometallic catalysts using mesoporous carbon material Sibunit as a support. In addition to the catalyst prepared by impregnation with RuCl3.nH2O (0.1 M) followed by reduction in H2, size-controlled Ru(NPs)/Sibunit catalysts were synthesized by immobilization of polyvinylpyrrolidone (PVP) stabilized Ru nanoparticles (NPs) (dRu=2.4 nm). Сarbon supported colloidal Ru NPs were not studied earlier in levulinic acid hydrogenation. Activity of colloidal Ru(NPs)/Sibunit catalysts was found to be lower than that of impregnated Ru/Sibunit which could be attributed to hampering effect of PVP. However, colloidal Ru(NPs)/Sibunit purified by thermal treatment in air (180{\textdegree}C) followed by reduction in H2 (400{\textdegree}C) exhibited the same activity as impregnated one yielding 93\% γ-valerolactone at 100\% levulinic acid conversion. Applicability of supported PVP-assisted colloidal Ru NPs in hydrogenation of levulinic acid illustrates a potential to prepare more efficient catalysts for this reaction with a desired particle size. The catalysts were characterized by TEM, XRF, and N2 physisorption to compare their physical chemical properties.

}, doi = {10.17516/1998-2836-0166}, author = {Simakova, Irina L. and Demidova, Yuliya S. and Simonov, Mikhail N. and Niphadkar, Prashant S. and Bokade, Vijay V. and Devi, Nandini and Dhepe, Paresh L. and Murzin, Dmitry Yu} } @article {46952, title = {Catalyst-free regioselective [3+2] cycloadditions of alpha,beta-unsaturated N-arylnitrones with alkenes to access functionalized isoxazolidines: a DFT study}, journal = {Chemistry-An Asian Journal}, volume = {15}, year = {2020}, month = {MAR}, pages = {899-903}, type = {Article}, abstract = {

The catalyst-free regioselective [3+2]-cycloaddition of alpha,beta-unsaturated N-arylnitrones with alkenes are developed. The series of synthetically important functionalized isoxazolidines are prepared in good to excellent yields by step economic pathway under ligand and transition-metal-free conditions. The regioselective cycloaddition pathway supported by control experiment and computational study.

}, keywords = {DFT study, isoxazolidines, metal and ligand free, nitrone cycloaddition, Regioselective}, issn = {1861-4728}, doi = {10.1002/asia.201901754, Early Access Date = FEB 2020}, author = {Ghosh, Arnab and Mane, Manoj V. and Rode, Haridas B. and Patil, Siddappa A. and Sridhar, Balasubramanian and Dateer, Ramesh B.} } @article {46827, title = {Catalytic conversion of HMF into ethyl levulinate - a biofuel over hierarchical zeolites}, journal = {Catalysis Communications}, volume = {140}, year = {2020}, month = {JUN}, pages = {105998}, type = {Article}, abstract = {

Catalytic conversion of 5-hydroxymethyl-2-furfuraldehyde (HMF, a biomass-derived platform chemical) into ethyl levulinate (EL) is an attractive approach for producing renewable transport fuels for mitigating global warming. We report here the application of hierarchical zeolites (DZSM-5 and MZSM-5 synthesized by desilication and mesoporous templating approaches, respectively) as solid acid catalysts for this transformation. Hierarchical structure of these zeolites was confirmed by X-ray diffraction, nitrogen-physisorption and electron microscopy, and acidity was determined by temperature-programmed desorption of ammonia. HMF conversion of 94.2\% with EL selectivity of 90.8\% was achieved over the MZSM-5 catalyst. Acidity, pore size and surface properties affected the catalytic activity.

}, keywords = {5-Hydroxymethyl-2-furfuraldehyde (HMF), Biofuel, ethyl levulinate, Hierarchical zeolite, ZSM-5}, issn = {1566-7367}, doi = {10.1016/j.catcom.2020.105998}, author = {Chithra, P. A. and Darbha, Srinivas} } @article {47333, title = {Catalytic hydrogenation of cinnamic acid and salicylic acid}, journal = {Asian Journal of Chemistry}, volume = {32}, year = {2020}, month = {JAN}, pages = {339-341}, type = {Article}, abstract = {

Hydrogenation of cinnamic acid and salicylic acid was carried out using 5 \%Ru/C, 5 \% Pd/C and Ru-Sn/Al2O3 catalyst at 493 K and 6.89 MPa of hydrogen partial pressure. Ru-Sn/Al2O3 catalyst was found to be active for hydrogenation -COOH group to give cinnamyl alcohol. The selectivity to cinnamyl alcohol was low (15 \%) as absolute inhibition of C=C bond hydrogenation in cinnamic acid is challenging. 5 \%Pd/C catalyst was found to hydrogenate C=C bond and aromatic ring in cinnamic acid. 5 \%Ru/C catalyst was found to be least selective catalyst as it hydrogenated C=C bond, aromatic ring and -COOH group in cinnamic acid. Hydrogenation of salicylic acid is not possible at 493 K as decarboxylation of salicylic acid occurs.

}, doi = {10.14233/ajchem.2020.22393}, author = {Shinde, Sunil and Deshpande, Raj M.} } @article {46776, title = {Catalytic reductive deoxygenation of esters to ethers driven by hydrosilane activation through non-covalent interactions with a fluorinated borate salt}, journal = {Catalysis Science \& Technology}, volume = {10}, year = {2020}, month = {JUL}, pages = {4586-4592}, type = {Article}, abstract = {

We report the catalytic and transition metal-free reductive deoxygenation of esters to ethers through the use of a hydrosilane and a fluorinated borate BArF salt as a catalyst. Experimental and theoretical studies support the role of noncovalent interactions between the fluorinated catalyst, the hydrosilane and the ester substrate in the reaction mechanism.

}, issn = {2044-4753}, doi = {10.1039/d0cy00775g}, author = {Rysak, Vincent and Dixit, Ruchi and Trivelli, Xavier and Merle, Nicolas and Agbossou-Niedercorn, Francine and Vanka, Kumar and Michon, Christophe} } @inbook {47779, title = {Chapter 9 - CRISPR-Cas9 for therapy: the challenges and ways to overcome them}, booktitle = {Genome Engineering via CRISPR-Cas9 System}, year = {2020}, pages = {101-110}, publisher = {Academic Press}, organization = {Academic Press}, abstract = {Clustered regularly interspaced short palindromic repeat/CRISPR-associated (CRISPR Cas) is a component of the prokaryotic adaptive immune system which has been repurposed for genome editing in recent years. The precision, simplicity and flexibility of this system have opened up a broad range of biological applications covering basic research to biotechnology and medicine. Additionally, the multiplexing capabilities of CRISPR offers a promising approach for modeling or correcting common polygenic disorders along with its monogenic and infectious counterparts. Although CRISPR is not completely precise and questions remain regarding its specificity and modes of delivery, the robustness and wide applicability of this genome editing tool has opened up numerous ways to address these issues. In this chapter, we will discuss about initial progress toward CRISPR therapeutics, existing delivery modalities, the challenges before CRISPR editing before it becomes a therapeutic possibility and the ongoing efforts toward developing a perfect CRISPR system for bench to bedside application.}, keywords = {CRISPR therapeutics, CRISPR-Cas9, iPSC}, isbn = {978-0-12-818140-9}, doi = {10.1016/B978-0-12-818140-9.00009-X}, url = {https://www.sciencedirect.com/science/article/pii/B978012818140900009X}, author = {Sundaram Acharya and Souvik Maiti and Debojyoti Chakraborty}, editor = {Vijai Singh and Pawan K. Dhar} } @article {46699, title = {Characterization of multidrug resistance in Vibriospecies isolated from marine invertebrates from Andaman Sea}, journal = {3 Biotech}, volume = {10}, year = {2020}, month = {SEP}, pages = {456}, type = {Article}, abstract = {

This study describes the abundance of multidrug-resistantVibriosassociated with marine invertebrate hosts from the Andaman Sea, India. Thirty-eightVibriostrains were isolated from surface mucus layers of coralPorites,Goniastrea, Pocillopora, Fungia, and eggs of spiny lobster (Panulirus penicillatus). Phenotypically, the majority of strains exhibited growth at a wide range of temperatures, salt tolerance, and diverse nutritional requirements. All the strains had more than 97\% 16S rRNA sequence similarity with type species of the genusVibriowhereVibrio fortis, andVibrio alginolyticuswere predominant. Multilocus Sequence Analysis (MLSA) using eight housekeeping genes namelyftsZ,gapA,gyrB,mreB,pyrH,recA,rpoA,andtopAdistributed the strains into 6 reported clades i.e.,Harveyi, Ponticus, Nereis, Orientalis, Splendidus,andMediterraneiwhere nearly half of the total strains represented the cladeHarveyi, followed by the cladeSplendidus.Likewise, the PFGE profile indicated genomic heterogeneity among the strains resulting in their distribution in five major clusters. Resistance to different antimicrobials was tested following the disc diffusion method where all strains were found susceptible to chloramphenicol (30 mu g) and resistant to streptomycin (10 mu g), vancomycin (30 mu g), sulfamethoxazole-trimethoprim (25 mu g). Moreover, the resistant phenotype to other antimicrobials confirmed the abundance of multidrug resistance strains in this marine environment.

}, keywords = {Drug-resistant, Genetic diversity, marine invertebrate, Multilocus sequence analysis, Vibrio}, issn = {2190-572X}, doi = {10.1007/s13205-020-02445-5}, author = {Kumari, Prabla and Poddar, Abhijit and Das, Subrata K.} } @article {46597, title = {Chiron approach to formal synthesis of both antipodes of cis 3-hydroxypipecolic acid (vol 55, pg 6423, 2014)}, journal = {Tetrahedron Letters}, volume = {61}, year = {2020}, month = {DEC }, pages = {152644}, type = {Correction}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2020.152644}, author = {Chavan, Subhash P. and Khairnar, Lalit B. and Chavan, Prakash N. and Dumare, Nilesh B. and Kalbhor, Dinesh B. and Gonnade, Rajesh G.} } @article {47151, title = {Co-gasification of high ash coal{\textendash}biomass blends in a fluidized bed gasifier: }, journal = {Waste and Biomass Valorization }, volume = {11}, year = {2020}, month = {JAN}, pages = {323{\textendash}341}, type = {Article}, abstract = {

Co-gasification (COG) is a clean-coal technology that uses a binary blend of coal and biomass for generating the\ product gas; it is environment-friendly since it emits lesser quantities of pollutants compared to the coal gasification process. Although coals found in many countries contain high percentages of ash, co-gasification studies involving such coals, and the process modeling thereof, are rare. Accordingly, this study presents results of the co-gasification experiments conducted in a fluidized-bed gasifier (FBG) pilot plant using as a feed the blends of high ash Indian coals with three biomasses, namely, rice husk, press mud, and sawdust. Since the underlying physicochemical phenomena are complex and nonlinear, modeling of the COG process has been performed using three\ computational intelligence (CI)-based methods namely, genetic programming, artificial neural networks, and support vector regression. Each of these formalisms was employed separately to develop models predicting four COG performance variables, namely, total gas yield, carbon conversion efficiency, heating value of product gas, and cold gas efficiency. All the CI-based models exhibit an excellent prediction accuracy and generalization performance. The co-gasification experiments and their modeling presented here for a pilot-plant FBG can be gainfully utilized in the efficient design and operation of the corresponding commercial scale co-gasifiers utilizing high ash coals.

}, author = {Tiwary, Shishir and Ghugare, Suhas B. and Chavan, Prakash D. and Saha, Sujan and Datta, Sudipta and Sahu, Gajanan and Tambe, Sanjeev S.} } @article {46816, title = {Combinatorial approach through in vitro regeneration and phytochemical profiling of ceropegia media (huber) ans.: a potential way forward in the conservation of an endangered medicinal plant from the western ghats in India}, journal = {Journal of Plant Growth Regulation}, year = {2020}, month = {JUN }, type = {Article; Early Access 2020}, abstract = {

Ceropegia mediais an endemic and endangered plant as its propagation through seeds is unreliable due to low germination, slow growth and seedling decay under natural conditions. Also, tubers of this plant are edible serving as carbohydrate source with medicinal values leading to severe population decline in the natural habitat. To provide a sustainable solution, an efficient in vitro propagation protocol along with phytochemical profiling was developed forC. media. Callus cultures were induced from seedling and wild leaf tissues using the most effective Murashige and Skoog{\textquoteright}s (MS) medium with 2,4-dichlorophenoxyacetic acid (2,4-D; 2 mu M) and sucrose (3\%). Somatic embryos were acquired on MS medium with 1 mu M 6-Benzylaminopurine (BAP) and 1 mu M 2,4-D. Conversion into plantlets was attained only from tissue culture-derived seedling leaf (TCDSL) explant. Further, in vitro tuberization was achieved from TCDSL callus with BAP and Naphthalene acetic acid (NAA). AgNO(3)as an elicitor had a positive effect on both fresh and dry weights of callus. Successful acclimatization (58\%) was attained after two months resulting in normal phenotype in pots. Further, metabolite profiles of ten different tissues from wild and in vitro plants were compared. Total 82 compounds comprising alkaloids, fatty acids, fatty acid ester, steroids, terpenes and hydrocarbons were identified. Overall, results suggested enhanced production of selected metabolites with in vitro propagation and AgNO3, alleviating the problem of unavailability of planting materials. Thus, the current study might offer potential ways for the conservation of such RED enlisted species asC. media. [GRAHICS]

}, keywords = {Ceropegia media, GC-MS, Microtuberization, Secondary metabolites, Silver nitrate, somatic embryogenesis}, issn = {0721-7595}, doi = {10.1007/s00344-020-10173-6, Early Access Date = JUN 2020}, author = {Pandey, Meena and Dholakia, Bhushan B. and Jayaramaiah, Ramesha H. and Punekar, Sachin A. and Giri, Ashok P.} } @article {46698, title = {Comprehensive metagenomic insights into a unique mass gathering and bathing event reveals transient influence on a riverine ecosystem}, journal = {Ecotoxicology and Environmental Safety}, volume = {202}, year = {2020}, month = {OCT }, pages = {110938}, type = {Article}, abstract = {

The religious mass gathering and bathing can pose a multitude of significant public health challenges and lead to severe alterations in the river microbial ecology. The Pandharpur Wari is an annual pilgrimage of Maharashtra, India, where millions of devotees carry the footprints of the saint-poets and pay their obeisance to Lord Vitthal on the 11th day of moon{\textquoteright}s waxing phase (Ashadi Ekadashi). As a part of the ritual, the engrossed devotees, walk over 250 km, take a first holy dip in a sacred river Indrayani at Alandi and secondly in Bhima River at Pandharpur. The MinION-based shotgun metagenomic approach was employed to examine the impact of spiritual mass bathing on environmental changes (concerning the river microbial community structure and functions); and public health aspects (in terms of changes in the pathogenic potential and antibiotic resistance). The analysis of bathing and post-bathing samples of both the rivers revealed alterations in the alpha and beta diversity, indicating significant spatiotemporal variations in the overall microbial structure and function. Furthermore, the analysis revealed up to 80\% of differences in the abundance of virulence genes between the bathing and post bathing samples. We observed parallel increase of priority skin and enteric pathogens (ranging from 11\% to 80\%) such as Acinetobacter baumannii, Staphylococcus aureus, Streptococcus pyogenes, Mycobacterium tuberculosis, and Pseudomonas aeruginosa during the bathing event. Moreover, we observed a significant increase in the antibiotic resistance in the bathing samples of Bhima and Indrayani rivers respectively. Altogether, this is the first comprehensive metagenomic study unravelling the influence of religious mass-bathing on the riverine ecosystem.

}, keywords = {Antibiotic resistance, Mass bathing, MinION sequencing, Priority pathogens, Virulence genes}, issn = {0147-6513}, doi = {10.1016/j.ecoenv.2020.110938}, author = {Yadav, Rakeshkumar and Rajput, Vinay and Gohil, Kushal and Khairnar, Krishna and Dharne, Mahesh} } @article {46963, title = {Continuous interfacial centrifugal separation and recovery of silver nanoparticles}, journal = {Chemical Engineering \& Technology}, volume = {43}, year = {2020}, month = {MAR}, pages = {582-592}, type = {Article}, abstract = {

Continuous-flow separation and recovery of silver nanoparticles (AgNPs) using an annular centrifugal extractor (ACE) is demonstrated. Separation was achieved at the liquid-liquid interface based on the balance between centrifugal force and the solubility of the capping agent. A mathematical model is presented to understand the mechanism in greater detail. The separation of poly(vinylpyrrolidone) (PVP)-coated AgNPs in an ACE using a strong immiscible solvent was performed. The material accumulated at the interface was separated periodically without discontinuing the operation. The method is also suitable for separation of large particles or 1D/2D nanostructures even employing a single annular centrifugal extractor. Stable AgNPs were selected for a detailed antimicrobial activity study.

}, keywords = {Annular centrifugal extractor, Antimicrobial activity, Continuous-flow separation, Liquid-liquid interface, silver nanoparticles}, issn = {0930-7516}, doi = {10.1002/ceat.201800722, Early Access Date = FEB 2020}, author = {Deshpande, Jaydeep B. and Navale, Govinda R. and Dharne, Mahesh S. and Kulkarni, Amol A.} } @article {46953, title = {Controlling and stabilization of Ru nanoparticles by tuning the nitrogen content of the support for enhanced H-2 production through aqueous-phase reforming of glycerol}, journal = {ACS Catalysis}, volume = {10}, year = {2020}, month = {FEB}, pages = {2489-2507}, type = {Article}, abstract = {

The stable activity of catalysts is an important issue in catalysis, particularly aqueous-phase reforming (APR) of renewable oxygenates, of biomass origin, to get H-2. Sintering of metal nanoparticles on supports affects catalyst stability. To alleviate this problem, a series of highly stable Ru-supported catalysts with controlled metal nanoparticle sizes have been prepared via the easy incipient wetness impregnation method. These catalysts were used for APR of glycerol to produce H-2. Nitrogen-doped mesoporous carbons (NMCs) were utlized as supports and found to have a strong influence on the catalytic performance of the catalysts. Incorporation of nitrogen in the carbon framework significantly enhanced the catalytic activity compared to Ru catalysts on nitrogen-free supports. Notably, the catalyst (5 wt \% Ru-NMC-3) with optimal N content (10.9 wt \%) demonstrated improved stability and H-2 selectivity, which are better than those of many state-of-the-art catalysts. Nitrogen in the carbon framework has a dual relationship with the activity of the catalyst: (i) it creates basic environment over the catalysts support and (ii) it acts as an anchoring site for metal nanoparticles. Anchoring of metal nanoparticles has helped to curb their sintering, thus leading to better stability of the catalysts under APR reaction conditions. Various characterization techniques were employed to understand the nature of active catalytic sites responsible for higher H-2 production while minimizing CO formation. In situ CO-FTIR studies showed that the higher catalytic activity of 5 wt \% Ru-NMC-3 catalyst was attributed to the enhanced WGS activity over this catalyst. Density functional theory calculations were performed to understand the stabilization of metal nanoparticles by different types of N present on the support and provide insights into the prefered sites of glycerol adsorption on the NMC support. Since S wt \% Ru-NMC-3 was the relatively best catalyst, it was selected for the preparation of bimetallic catalysts. Accordingly, addition of Pt to this system helped to increase the stability of the catalyst. This bimetallic catalyst may, therefore, find application for wide use in APR of biomass oxygenates.

}, keywords = {aqueous-phase reforming, Glycerol, H-2 production, Ru/NMC catalyst, synergistic effect}, issn = {2155-5435}, doi = {10.1021/acscatal.9b04063}, author = {Gogoi, Pranjal and Kanna, Narsimharao and Begum, Pakiza and Deka, Ramesh C. and Satyanarayana, C. V. V. and Raja, Thirumalaiswamy} } @article {47314, title = {Deciphering taxonomic and functional diversity of fungi as potential bioindicators within confluence stretch of Ganges and Yamuna Rivers, impacted by anthropogenic activities}, journal = {Chemosphere}, volume = {252}, year = {2020}, month = {AUG}, type = {Article}, abstract = {

River confluences are interesting ecological niche with limited information in respect of the structure and the functions of diverse microbial communities. Fungi are gaining global attention as promising biological spectacles for defining the trophic status of riverine systems. We condense existing knowledge in confluence diversity in two Indian rivers (i.e. Ganges and Yamuna), by combining sediment metagenomics using long read aided MinION nanopore sequencing. A total of 63 OTU{\textquoteright}s were observed, of which top 20 OTU{\textquoteright}s were considered based on relative abundance of each OTU at a particular location. Fungal genera such as\ Aspergillus, Penicillium,\ Kluveromyces, Lodderomyces,\ and\ Nakaseomyces\ were deciphered as potential bio indicators of river pollution and eutrophication in the confluent zone.\ In silico\ functional gene analysis uncovered hits for neurodegenerative diseases and xenobiotic degradation potential, supporting bioindication of river pollution in wake of anthropogenic intervention.

}, doi = {10.1016/j.chemosphere.2020.126507}, author = {Samson, Rachel and Rajput, Vinay and Shah, Manan and Yadav, Rakeshkumar and Sarode, Priyanka and Dastager, Syed G. and Dharne, Mahesh S. and Khairnar, Krishna} } @article {46931, title = {DFT/NMR approach for the configuration assignment of groups of stereoisomers by the combination and comparison of experimental and predicted sets of data}, journal = {Journal of Organic Chemistry}, volume = {85}, year = {2020}, month = {MAR}, pages = {3297-3306}, type = {Article}, abstract = {

Quantum mechanical/nuclear magnetic resonance (NMR) approaches are widely used for the configuration assignment of organic compounds generally comparing one cluster of experimentally determined data (e.g., C-13 NMR chemical shifts) with those predicted for all possible theoretical stereoisomers. More than one set of experimental data, each related to a specific stereoisomer, may occur in some cases, and the accurate stereoassignments can be obtained by combining the experimental and computed data. We introduce here a straightforward methodology based on the simultaneous analysis, combination, and comparison of all sets of experimental/calculated C-13 chemical shifts for aiding the correct configuration assignment of groups of stereoisomers. The comparison of the differences between the calculated/experimental chemical shifts instead of the shifts themselves led to the advantage of avoiding errors arising from calibration procedures, reducing systematic errors, and highlighting the most diagnostic differences between calculated and experimental data. This methodology was applied on a tetrad of synthesized cladosporin stereoisomers (cladologs) and further corroborated on a tetrad of pochonicine stereoisomers, obtaining the correct correspondences between experimental and calculated sets of data. The new MAE(Delta Delta delta) parameter, useful for indicating the best fit between sets of experimental and calculated data, is here introduced for facilitating the stereochemical assignment of groups of stereoisomers.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.9b03129}, author = {Lauro, Gianluigi and Das, Pronay and Riccio, Raffaele and Reddy, D. Srinivasa and Bifulco, Giuseppe} } @article {46734, title = {Differential modulation in metabolites revealed with the improvement in the shelf-life of alphonso fruits}, journal = {Molecular Biotechnology}, volume = {62}, year = {2020}, month = {OCT}, pages = {508-520}, type = {Article}, abstract = {

Globally farmers have difficulty in extending the shelf-life of the tropical fruits due to their perishable nature. The present study aimed to assess the effect of hexanal nano-formulation treatment (NFT) on the shelf-life of Alphonso mango. Further, volatilomics was performed to explore the molecular basis of such effect. Untreated and treated fruits were sampled starting from 5th to 21st day after NFT at an interval of 4 days. Moderate changes in visual and digital colour parameters were evident from the intact and dissected fruits of NFT set compared to untreated fruits. Biochemical assays affirmed the phenotypic differences with significant changes in the colour imparting compounds like carotenoids and anthocyanins among them. Further, gas chromatography-mass spectrometry analysis revealed significant qualitative and quantitative variations in the different classes of compounds like lactones, furanones, esters, aldehydes and alcohols. Some of the key metabolites showed differential modulations among the NFT and untreated fruit sets indicating their potential role in various processes, which ultimately might have resulted in delayed ripening of the mango. Overall, this study has demonstrated the beneficial effect of hexanal and identified important metabolites with the enhanced shelf-life in Alphonso that could be useful for farmers and mango-based food/flavour industries.

}, keywords = {Alphonso, GC-MS, Metabolites, Nano-biotechnology, Nano-formulation, Shelf-life, Volatilomics}, issn = {1073-6085}, doi = {10.1007/s12033-020-00267-7, Early Access Date = AUG 2020}, author = {Dar, M. Saleem and Dholakia, Bhushan B. and Shanmugam, Haripriya and Gupta, Vidya S. and Subramanian, K. S. and Subramanian, J. and Giri, Ashok P.} } @article {47006, title = {Dioxolanone-anchored poly(allyl ether)-based cross-linked dual-salt polymer electrolytes for high-voltage lithium metal batteries}, journal = {ACS Applied Materials \& Interfaces}, volume = {12}, year = {2020}, month = {JAN }, pages = {567-579}, type = {Article}, abstract = {

Novel cross-linked polymer electrolytes (XPEs) are synthesized by free-radical copolymerization induced by ultraviolet (UV)-light irradiation of a reactive solution, which is composed of a difunctional poly(ethylene glycol) diallyl ether oligomer (PEGDAE), a monofunctional reactive diluent 4-vinyl-1,3-dioxolan-2-one (VEC), and a stock solution containing lithium salt (lithium bis(trifluoromethanesulfonyl)imide, LiTFSI) in a carbonate-free nonvolatile plasticizer, poly(ethylene glycol) dimethyl ether (PEGDME). The resulting polymer matrix can be represented as a linear polyethylene chain functionalized with cyclic carbonate (dioxolanone) moieties and cross-linked by ethylene oxide units. A series of XPEs are prepared by varying the [O]/[Li] ratio (24 to 3) of the stock solution and thoroughly characterized using physicochemical (thermogravimetric analysis-mass spectrometry, differential scanning calorimetry, NMR, etc.) and electrochemical techniques. In addition, quantum chemical calculations are performed to elucidate the correlation between the electrochemical oxidation potential and the lithium ion-ethylene oxide coordination in the stock solution. Later, lithium bis(fluorosulfonyl)imide (LiFSI) salt is incorporated into the electrolyte system to produce a dual-salt XPE that exhibits improved electrochemical performance, a stable interface against lithium metal, and enhanced physical and chemical characteristics to be employed against high-voltage cathodes. The XPE membranes demonstrated excellent resistance against lithium dendrite growth even after reversibly plating and stripping lithium ions for more than 1000 h with a total capacity of 0.5 mAh cm(-2). Finally, the XPE films are assembled in a lab-scale lithium metal battery configuration by using carbon-coated LiFePO4 (LFP) or LiNi0.8Co0.15Al0.05O2 (NCA) as a cathode and galvanostatically cycled at 20, 40, and 60 degrees C. Remarkably, at 20 degrees C, the NCA-based lithium metal cells displayed excellent cycling stability and good capacity retention (\>50\%) even after 1000 cycles.

}, keywords = {cross-linked polymer electrolyte, dual-salt electrolyte, high-voltage cathode, lithium metal battery, solvent-free photopolymerization}, issn = {1944-8244}, doi = {10.1021/acsami.9b16348}, author = {Vijayakumar, Vidyanand and Diddens, Diddo and Heuer, Andreas and Kurungot, Sreekumar and Winter, Martin and Nair, Jijeesh Ravi} } @article {46787, title = {Directed holey and ordered g-C(3)N(4.5)nanosheets by a hard template nanocasting approach for sustainable visible-light hydrogen evolution with prominent quantum efficiency}, journal = {Journal of Materials Chemistry A}, volume = {8}, year = {2020}, month = {JUL}, pages = {13328-13339}, type = {Article}, abstract = {

It is desirable yet challenging to synthesize a highly ordered holey carbon nitride material with excess nitrogen atoms for a sustainable solar H(2)evolution. Herein, we report the development of directed highly ordered nitrogen-rich honeycomb-like mesoporous carbon nitride nanosheets by using a novel synthetic approach for this purpose. The unique formation route, surface structure and charge carrier dynamics of the two dimensional holey nanosheets are comprehensively monitored and confirmed by SAXS, HRTEM, AFM, BET, XPS and TRPL analyses. Non-stoichiometric high nitrogen content mesoporous nanosheets with the final stoichiometry of g-C(3)N(4.5)acquiring a high specific surface area (382 m(2)g(-1)), remarkable pore size (7.2 nm) and sheet thickness similar to 5-6 nm are realized in this first report. This elegant material possesses unique low band-gap energy (2.42 eV). Remarkably, the as-synthesized g-C(3)N(4.5)NSs exhibit a record high photocatalytic H(2)evolution rate of 8180 mu mol g(-1)h(-1)under the present light irradiation (420 \<=lambda \<= 510 nm) condition. The apparent quantum efficiency is found to be as high as 27.14\% at 420 nm and retains its photocatalytic activity for longer consecutive catalytic cycles. Bigger pore size and pore volume, and thin walls leading to shortening of the path length of exciton pairs, efficient charge separation and the prolonged average life time of the charge carriers, and lone electron pairs associated with the excess nitrogen content are found to be the reasons behind the excellent visible light driven water splitting reaction.

}, issn = {2050-7488}, doi = {10.1039/d0ta02734k}, author = {Antil, Bindu and Ranjan, Ravi and Gopinath, Chinnakonda S. and Deka, Sasanka} } @article {46694, title = {Discovery of 3-(benzofuran-2-ylmethyl)-1H-indole derivatives as potential autophagy inducers in cervical cancer cells}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {30}, year = {2020}, month = {OCT }, pages = {127431}, type = {Article}, abstract = {

In this manuscript we have documented the identification of a novel anticancer scaffold 3-(benzofuran-2-yl-methyl)-1H-indole. This scaffold has been designed by tweaking the known bisindolylmethane scaffold of natural products that display a wide range of biological activities. A series of 24 new conjugates have been synthesized and among them 5 derivatives exhibited IC50 values less than 40 mu M against two cervical cancer cell lines SiHa and C33a. Further mechanistic studies of two compounds 3eb and 3ec revealed that the toxicity of these compounds was due to the effective induction of autophagy mediated cell death. The autophagy induction was confirmed by the progressive conversion of LC3I to LC3II and downregulation of p62 in cervical cancer cells.

}, keywords = {Autophagy, Benzofuran, Bisindolylmethane, Cervical cancer, Friedel-Crafts alkylation}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2020.127431}, author = {Siddiqui, Shaziyaparveen K. and SahayaSheela, Vinodh J. and Kolluru, Srinivas and Pandian, Ganesh N. and Santhoshkumar, Thankayyan R. and Dan, Vipin M. and Ramana, V, Chepuri} } @article {46830, title = {Distinct metabolic states of a cell guide alternate fates of mutational buffering through altered proteostasis}, journal = {Nature Communications}, volume = {11}, year = {2020}, month = {JUN}, pages = {2926}, type = {Article}, abstract = {

Metabolic changes alter the cellular milieu; can this also change intracellular protein folding? Since proteostasis can modulate mutational buffering, if change in metabolism has the ability to change protein folding, arguably, it should also alter mutational buffering. Here we find that altered cellular metabolic states in E. coli buffer distinct mutations on model proteins. Buffered-mutants have folding problems in vivo and are differently chaperoned in different metabolic states. Notably, this assistance is dependent upon the metabolites and not on the increase in canonical chaperone machineries. Being able to reconstitute the folding assistance afforded by metabolites in vitro, we propose that changes in metabolite concentrations have the potential to alter protein folding capacity. Collectively, we unravel that the metabolite pools are bona fide members of proteostasis and aid in mutational buffering. Given the plasticity in cellular metabolism, we posit that metabolic alterations may play an important role in cellular proteostasis.

}, issn = {2041-1723}, doi = {10.1038/s41467-020-16804-6}, author = {Verma, Kanika and Saxena, Kanika and Donaka, Rajashekar and Chaphalkar, Aseem and Rai, Manish Kumar and Shukla, Anurag and Zaidi, Zainab and Dandage, Rohan and Shanmugam, Dhanasekaran and Chakraborty, Kausik} } @article {46831, title = {Dual mode selective detection and differentiation of TNT from other nitroaromatic compounds}, journal = {Journal of Materials Chemistry A}, volume = {8}, year = {2020}, month = {JUN }, pages = {10767-10771}, type = {Article}, abstract = {

Selective detection of explosives, especially TNT, is a highly desirable area of research and various explosives detection devices including fluorescent sensors are already in place. However, multi-mode sensors will be more useful and reliable than conventional fluorescent {\textquoteleft}{\textquoteleft}Turn Off{\textquoteright}{\textquoteright} sensors. One of the challenges is the development of selective sensors to prevent illegal transport of commonly used explosive TNT through on-the-spot analysis. In this context, we report a fluorescent polymer-based selective detection of TNT using both fluorometric and colorimetric signals. In addition, colorimetric differentiation of TNT from other nitroaromatic compounds is made possible by complexing with various amines. Even though many other sensors are available for TNT, the current demonstration is unique in terms of selectivity, sensitivity, reliability, portability, and rapidity of results. The as-developed explosive detection kit can be useful in both civilian and military operations to trace the illegal transport of TNT as well as for post-explosion analysis.

}, issn = {2050-7488}, doi = {10.1039/d0ta02091e}, author = {Patil, Goudappagouda and Dongre, Sangram D. and Das, Tamal and Babu, Sukumaran Santhosh} } @article {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 {46937, title = {Effect of aromatic rings and substituent on the performance of lithium batteries with rylene imide cathodes}, journal = {ChemElectroChem}, volume = {7}, year = {2020}, month = {MAR }, pages = {1160-1165}, type = {Article}, abstract = {

Rylene imides (RIs) are attractive organic battery materials because of the inherent modularity of the molecules. While strong aggregation of RIs is disadvantageous for fast lithium-ion transport in the organic active material, decreasing the solubility of the RIs in battery electrolytes is essential to avoid performance fading. Therefore, the design and synthesis of RIs for lithium batteries is a non-trivial task that must, among other considerations, balance lithium-ion transport in the solid material vs. low solubility by controlling aggregation and packing. We have chosen triphenylamine (TPA) as a substituent which disrupts the aggregation but maintains a low solubility due to increased aromaticity of TPA. We have synthesized three RIs with one, two, and four aromatic units in the core. All of them showed stable specific capacity over 300 charge-discharge cycles. The batteries also showed specific capacities close to their theoretical capacities with 97-99 \% coulombic efficiency. The maximum specific energy and specific power were 197 mWh g(-1) and 37 mW g(-1), respectively.

}, keywords = {lithium-ion batteries, organic cathode material, rylene imides, solubility, triphenylamine}, issn = {2196-0216}, doi = {10.1002/celc.202000118}, author = {Aher, Jagdish and Graefenstein, Alexander and Deshmukh, Gunvant and Subramani, Kumar and Krueger, Bastian and Haensch, Mareike and Schwenzel, Julian and Krishnamoorthy, Kothandam and Wittstock, Gunther} } @article {46842, title = {Effect of melatonin on tau aggregation and tau-mediated cell surface morphology}, journal = {International Journal of Biological Macromolecules}, volume = {152}, year = {2020}, month = {JUN }, pages = {30-39}, type = {Article}, abstract = {

Aggregation of Microtubule-associated protein Tau and its deposition in the form of neurofibrillary tangles (NFTs) is one of the pathological hallmarks of Alzheimer{\textquoteright}s disease (AD). Tau aggregation inhibition has been targeted in various studies including natural compounds and synthetic small molecules. Here, we have studied neurohormone- Melatonin against in vitro Tau aggregation and observed its effect on membrane topology, tubulin network and Tau phosphorylation in Neuro2A and N9 cell lines. The aggregation and conformation of Tau was determined by ThT fluorescence and CD spectroscopy respectively. The morphology of Tau aggregates in presence and absence of Melatonin was studied by transmission electron microscopy. Melatonin was found to reduce the formation of higher order oligomeric structures without affecting the overall aggregation kinetics of Tau. Melatonin also modulates and helps to maintain membrane morphology, independent on tubulin network as evidenced by FE-SEM and immunofluorescence analysis. Overall, Melatonin administration shows mild anti-aggregation and cytoprotective effects. (C) 2020 Elsevier B.V. All rights reserved.

}, keywords = {Alzheimer{\textquoteright}s disease, Cell surface morphology, melatonin, Paired helical filaments, tau protein, Tauopathies}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2020.01.296}, author = {Das, Rashmi and Balmik, Abhishek Ankur and Chinnathambi, Subashchandrabose} } @article {46713, title = {Efficient method for the synthesis of quinoxaline derivatives catalyzed by titanium silicate-1}, journal = {Research on Chemical Intermediates}, volume = {46}, year = {2020}, month = {DEC}, pages = {5219-5230}, type = {Article}, abstract = {

A series of quinoxaline derivatives were efficiently synthesized by convenient and simple procedure in excellent yields using 1 wt.\% of titanium silicate (TS-1) catalyzed reaction of 1,2-diamines and 1,2-diketones in methanol at room temperature. This reaction is scalable to multigram scale and the catalyst is recyclable. [GRAPHICS] .

}, keywords = {2-Diketones, Aromatic 1, o-Phenylenediamine, Quinoxaline, Room temperature, Titanium silicate-1}, issn = {0922-6168}, doi = {10.1007/s11164-020-04258-w, Early Access Date = SEP 2020}, author = {Chandrachood, Pranav S. and Jadhav, Amol R. and Garud, Dinesh R. and Deshpande, Nirmala R. and Puranik, Vedavati G. and Kashalkar, Rajashree V.} } @article {46768, title = {EGCG impedes human Tau aggregation and interacts with Tau}, journal = {Scientific Reports}, volume = {10}, year = {2020}, month = {JUL}, pages = {12579}, type = {Article}, abstract = {

Tau aggregation and accumulation is a key event in the pathogenesis of Alzheimer{\textquoteright}s disease. Inhibition of Tau aggregation is therefore a potential therapeutic strategy to ameliorate the disease. Phytochemicals are being highlighted as potential aggregation inhibitors. Epigallocatechin-3-gallate (EGCG) is an active phytochemical of green tea that has shown its potency against various diseases including aggregation inhibition of repeat Tau. The potency of EGCG in altering the PHF assembly of full-length human Tau has not been fully explored. By various biophysical and biochemical analyses like ThS fluorescence assay, MALDI-TOF analysis and Isothermal Titration Calorimetry, we demonstrate dual effect of EGCG on aggregation inhibition and disassembly of full-length Tau and their binding affinity. The IC50 for Tau aggregation by EGCG was found to be 64.2 mu M.

}, issn = {2045-2322}, doi = {10.1038/s41598-020-69429-6}, author = {Sonawane, Shweta Kishor and Chidambaram, Hariharakrishnan and Boral, Debjyoti and Gorantla, Nalini Vijay and Balmik, Abhishek Ankur and Dangi, Abha and Ramasamy, Sureshkumar and Marelli, Udaya Kiran and Chinnathambi, Subashchandrabose} } @article {46799, title = {Electrochemical performance of pre-lithiated ZnMoO4 and r-GO@ZnMoO4 composite anode for lithium-ion battery application}, journal = {Journal of the Taiwan Institute of Chemical Engineers}, volume = {112}, year = {2020}, month = {JUL}, pages = {60-66}, type = {Article}, abstract = {

Exploring a safer replacement of Li metal anode is crucial for technological, and fundamental importance. Li-metal is a preferred choice as anode material for lithium-ion battery (LIB) applications. However, parasitic dendritic growth on the Li metal surface during cycling causes instability and safety dreads. In the present study, we have investigated that the pre-lithiated ZnMoO4 is superior to its carbon-based counterparts (r-GO@ZnMoO4), moreover safer and sustainable than Li metal anode. The pre-lithiated ZnMoO4 delivers a better reversible capacity (similar to 1000 mAhg(-1) at 0.1 Ag-1), superior rate capability (similar to 400 mAh g(-1) at 2 Ag-1), and excellent cycling stability over 300 cycles at 0.1 Ag-1, as compared to bare ZnMoO4 and r-GO@ZnMoO4 composite. The present investigation is an attempt to provide a substitute for commonly used Li-metal/carbon anodes with better performance. (C) 2020 Taiwan Institute of Chemical Engineers. Published by Elsevier B.V. All rights reserved.

}, keywords = {Cycling stability, Electrochemistry, Li-ion battery, Nyquist plot, Rate performance, ZnMoO4 nanocomposites}, issn = {1876-1070}, doi = {10.1016/j.jtice.2020.07.009}, author = {Bin Masood, Khalid and Parte, Golu and Jain, Neha and Dwivedi, Pravin K. and Kumar, Pushpendra and Shelke, V, Manjusha and Patel, Rp and Singh, Jai} } @article {46900, title = {Electrospun fibers and sorbents as a possible basis for effective composite wound dressings}, journal = {Micromachines}, volume = {11}, year = {2020}, month = {APR}, pages = {441}, type = {Article}, abstract = {

Skin burns and ulcers are considered hard-to-heal wounds due to their high infection risk. For this reason, designing new options for wound dressings is a growing need. The objective of this work is to investigate the properties of poly (epsilon-caprolactone)/poly (vinyl-pyrrolidone) (PCL/PVP) microfibers produced via electrospinning along with sorbents loaded with Argovit (TM) silver nanoparticles (Ag-Si/Al2O3) as constituent components for composite wound dressings. The physicochemical properties of the fibers and sorbents were characterized using scanning electron microscopy (SEM), differential scanning calorimetry (DSC), Fourier transform infrared spectroscopy (FTIR) and inductively coupled plasma optical emission spectroscopy (ICP-OES). The mechanical properties of the fibers were also evaluated. The results of this work showed that the tested fibrous scaffolds have melting temperatures suitable for wound dressings design (58-60 degrees C). In addition, they demonstrated to be stable even after seven days in physiological solution, showing no macroscopic damage due to PVP release at the microscopic scale. Pelletized sorbents with the higher particle size demonstrated to have the best water uptake capabilities. Both, fibers and sorbents showed antimicrobial activity against Gram-negative bacteria Pseudomona aeruginosa and Escherichia coli, Gram-positive Staphylococcus aureus and the fungus Candida albicans. The best physicochemical properties were obtained with a scaffold produced with a PCL/PVP ratio of 85:15, this polymeric scaffold demonstrated the most antimicrobial activity without affecting the cell viability of human fibroblast. Pelletized Ag/Si-Al2O3-3 sorbent possessed the best water uptake capability and the higher antimicrobial activity, over time between all the sorbents tested. The combination of PCL/PVP 85:15 microfibers with the chosen Ag/Si-Al2O3-3 sorbent will be used in the following work for creation of wound dressings possessing exudate retention, biocompatibility and antimicrobial activity.

}, keywords = {electrospinning, poly (epsilon-caprolactone), poly (vinyl pyrrolidone), silver sorbents, wound dressings}, doi = {10.3390/mi11040441}, author = {Saul Alvarez-Suarez, Alan and Dastager, Syed G. and Bogdanchikova, Nina and Grande, Daniel and Pestryakov, Alexey and Carlos Garcia-Ramos, Juan and Lizeth Perez-Gonzalez, Graciela and Juarez-Moreno, Karla and Toledano-Magana, Yanis and Smolentseva, Elena and Antonio Paz-Gonzalez, Juan and Popova, Tatiana and Rachkovskaya, Lyubov and Nimaev, Vadim and Kotlyarova, Anastasia and Korolev, Maksim and Letyagin, Andrey and Jesus Villarreal-Gomez, Luis} } @article {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 {46817, title = {Electrospun poly(3-hydroxybutyrate-co-3-hydroxyvalerate)/polyethylene oxide (PEO) microfibers reinforced with ZnO nanocrystals for antibacterial and antibiofilm wound dressing applications}, journal = {New Journal of Chemistry}, volume = {44}, year = {2020}, month = {JUN}, pages = {9754-9766}, type = {Article}, abstract = {

Biocompatible and biodegradable polymers are extensively used in designing wound dressing materials. The present investigation deals with the preparation of a unique blend of zinc oxide (ZnO) nanoparticles incorporated in poly(3-hydroxybutyrate-co-3-hydroxyvalerate) (PHBV)/polyethylene oxide (PEO) microfibersviaan electrospinning technique for antibacterial, antibiofilm and wound dressing applications. This composite was prepared by incorporating previously synthesized ZnO NPs with better antibacterial and antibiofilm activity in PHBV-PEO (4 : 1) polymers in chloroform solution. Scanning electron microscopy (SEM) and Fourier transform infrared (FT-IR) spectroscopy confirmed that ZnO NPs were incorporated in the PHBV-PEO microfibers. The synthesized microfibers exhibited enhanced mechanical properties after the incorporation of ZnO NPs. The results of antibacterial and antibiofilm activity of the prepared microfibers revealed that the incorporated ZnO NPs in different concentrations (1\%, 3\%, and 5\%) showed different degrees of antibacterial activity against pathogenic Gram-positiveStaphylococcus aureus(NCIM 2654) and Gram-negativePseudomonas aeruginosa(NCIM 5032), which are the main bacteria found in wound infections. The PHBV-PEO-ZnO microfibers exhibited excellent hemocompatibility with improved swelling behavior after the incorporation of ZnO NPs.In vitrocytotoxicity assays revealed the non-toxic nature of the prepared PHBV-PEO-ZnO microfibers. The current work confirms that utilizing a unique blend of the biodegradable, biocompatible, thermoplastic and hydrophobic natural polymer PHBV with hydrophobic, biodegradable, non-toxic and synthetic polymer PEO with ZnO NPs holds great potential for use as an antibacterial and antibiofilm material for wound dressing applications.

}, issn = {1144-0546}, doi = {10.1039/d0nj01384f}, author = {Mahamuni-Badiger, Pranjali P. and Patil, Pooja M. and Patel, Pratikshkumar R. and Dhanavade, Maruti J. and Badiger, V. Manohar and Marathe, Yogesh N. and Bohara, Raghvendra A.} } @article {46779, title = {Enantio- and diastereocontrolled conversion of chiral epoxides to trans-cyclopropane carboxylates: application to the synthesis of cascarillic acid, grenadamide and L-(-)-CCG-II (vol 10, pg 6987, 2012)}, journal = {Organic \& Biomolecular Chemistry}, volume = {18}, year = {2020}, month = {JUL}, pages = {5264}, type = {Correction}, issn = {1477-0520}, doi = {10.1039/d0ob90090g}, author = {Kumar, Pradeep and Dubey, Abhishek and Harbindu, Anand} } @article {46837, title = {Engineering pore morphology using silica template route over mesoporous cobalt oxide and its implications in atmospheric pressure carbon dioxide hydrogenation to olefins}, volume = {19}, year = {2020}, month = {JUN}, pages = {100586}, type = {Article}, abstract = {

Highly ordered mesoporous cobalt oxides (denoted as m-Co-KIT-6 and m-Co-SBA-15) with three dimensional and two dimensional pore morphology respectively have been synthesized using 3D KIT-6, and 2D SBA-15 as silica template via nanocasting route. CO2 hydrogenation activity was evaluated for these mesoporous materials under atmospheric pressure conditions. In comparison to nanoparticles of cobalt oxide (Co3O4-nano), mesoporous catalysts showed excellent activity for CO2 hydrogenation due to their higher number of exposed active sites and lower mass diffusion limitations. The ordered mesoporous structure of Co3O4 catalysts favored the chain growth of carbon atoms for the production of C2+ hydrocarbons while Co3O4 nanoparticles showed strong selectivity toward CH4. High selectivity for C2+ (similar to 25\%) was obtained for both m-Co-KIT-6 and m-Co-SBA-15 catalysts at 320 degrees C. In addition, the 3D pore structure of m-Co-KIT-6 catalyst exclusively formed more olefins (54.9\%) fraction. (C) 2020 Published by Elsevier Ltd.

}, keywords = {CO2 hydrogenation, Mesoporous CO3O4, Olefin fraction, Pore morphology, Silica hard template}, issn = {2352-9407}, doi = {10.1016/j.apmt.2020.100586}, author = {Gupta, Sharad and Ciotonea, Carmen and Royer, Sebastien and Dacquin, Jean-Philippe and Vinod, C. P.} } @article {47307, title = {Enhanced anti-ageing and wound healing properties of Ficus religiosa L. bark, leaf and aerial root extract in human keratinocytes cell line (HaCaT)}, journal = {Vegetos}, volume = {33}, year = {2020}, month = {JAN}, pages = {158-165}, type = {Article}, abstract = {

Plants have played a vital role in curative and preventive healthcare.\ Ficus religiosa\ L., a medicinally important tree has been used as a traditional medicine to treat various ailments and skin diseases. However, its skin anti-ageing properties are not yet scientifically evaluated. Here we report the comparison of\ F. religiosa\ bark (FRAqB), leaf (FRAqL) and aerial-roots (FRAqAR) extracts for skin anti-ageing and wound healing properties. FRAqB, FRAqL and FRAqAR extracts preparation, cell culture, RNA isolation, real time PCR, astringent activity and wound healing assay were carried out using standard methods. Axio Observer FL-microscope and ImageJ software were used for wound healing assay analysis. The real time PCR study reveals that matrix metalloproteinase-1 (MMP) RNA was downregulated to 75\% and 95\% for FRAqB and FRAqAR, respectively. For procollagen C-endopeptidase enhancer 1 (PCOLCE), FRAqB and FRAqL enhanced RNA levels by 500\% and 300\%, respectively. FRAqB and FRAqL increased wound healing area to about 60\% and FRAqAR by 50\%. All three extracts demonstrated astringent activity which is significant for skin tightening. The study proves that extracts of\ F. religiosa\ are prominent candidates for pharmaceutical and cosmetic applications such as skin anti-ageing and wound healing.

}, doi = {10.1007/s42535-019-00094-5}, author = {Pandey, Prem and Seo, Hyo Hyun and Kim, Hye-In and Ryu, Seung Hwan and Dingre, Medini and Moh, Sang Hyun and Kulkarni, Atul and Parasharami, Varsha A.} } @article {46919, title = {Enteric pH responsive cargo release from PDA and PEG coated mesoporous silica nanoparticles: a comparative study in Drosophila melanogaster}, journal = {RSC Advances}, volume = {10}, year = {2020}, month = {MAR }, pages = {11716-11726}, type = {Article}, abstract = {

Physiological stimulus-specific cargo release from nanoparticle carriers is a holy grail of drug delivery research. While the majority of such work is carried out in vitro with cell lines, widespread use of common mammalian model systems - mice and rats - is difficult due to the associated cost and regulatory restrictions. Here we use the inexpensive, easily reared, excellent genetic model system Drosophila melanogaster to test pH responsive cargo release from widely used mesoporous silica nanoparticles (MSNs) coated with pH sensitive polydopamine (PDA) and polyethylene glycol (PEG) polymers. We synthesized 650 +/- 75 nm diameter PDA or PEG coated mesoporous silica nanoparticles loaded with a fluorescent dye and fed to individual adult flies. Subsequently, the passage of the particles were monitored through the fly gut. As in mammals, the fly intestine has multiple pH specific zones that are easily accessible for imaging and also genetic, biochemical or physiological manipulations. We observed that both the species of MSNs ruptured around the acidic (pH \< 4.0) middle midgut of the flies. PEG coated particles showed sharper specificity of release in the acidic middle midgut of flies than the PDA coated ones and had less tendency to clump together. Our results clearly show that the Drosophila gut can be used as a model to test pH responsive biocompatible materials in vivo. Our work paves the way for greater use of Drosophila as an in vivo complete systemic model in drug delivery and smart materials research. It also suggests that such specific delivery of chemical/biological cargo can be exploited to study basic biology of the gut cells and their communication with other organs.

}, doi = {10.1039/c9ra11019d}, author = {Sapre, Nidhi and Chakraborty, Rusha and Purohit, Poorvi and Bhat, Suresh and Das, Gaurav and Bajpe, Sneha R.} } @article {46765, title = {Evaluation of biomolecular interactions and cytotoxic activity of organometallic binuclear Ru(II) complexes of ferrocenyl thiosemicarbazones}, journal = {Journal of Biomolecular Structure \& Dynamics}, year = {2020}, month = {JUL}, type = {Article; Early Access}, abstract = {

{Four new ferrocenyl substituted thiosemicarbazone ligands (L1-L4) and their corresponding binuclear ruthenium(II) arene complexes of the general type [(eta(6)-pcym)(L)Ru(mu-im)Ru(L)(eta(6)-p-cym)]Cl (C1-C4) and [(eta(6)-pcym)(L)Ru(mu-azpy)Ru(L)(eta(6)-p-cym)]Cl-2(C5-C8) (cym = cymene

}, keywords = {binuclear ruthenium(II) complexes, BSA binding interactions, DNA, Ferrocenyl thiosemicarbazone, HeLa human cervical carcinoma}, issn = {0739-1102}, doi = {10.1080/07391102.2020.1798284}, author = {Khanvilkar, Priyanka and Dash, Soumya R. and Vohra, Alisagar and Devkar, Ranjitsinh and Chakraborty, Debjani} } @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 {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 {46689, title = {Five concomitant polymorphs of a green fluorescent protein chromophore (GFPc) analogue: understanding variations in photoluminescence with pi-stacking interactions}, journal = {Acta Crystallographica Section B-Structural Science Crystal Engineering and Materials}, volume = {76}, year = {2020}, month = {OCT}, pages = {850-864}, type = {Article}, abstract = {

The synthetically modified green fluorescent protein chromophore analogue 3,4,5-trimethoxybenzylidene imidazolinone (1) yielded five polymorphs (I, II, III, IV, V) concomitantly irrespective of the solvent used for crystallization. The pentamorphic modification of 1 is solely due to the interplay of iso-energetic weak intermolecular interactions in molecular associations as well as the conformational flexibility offered by a C-C single bond, which connects the electron-deficient moiety imidazolinone with the electron-rich trimethoxybenzylidene group. A common structural feature observed in all the polymorphs is the formation of a {\textquoteleft}zero-dimensional{\textquoteright} centrosymmetric dimeric unit through a short and linear C-H center dot center dot center dot O hydrogen bond engaging phenyl C-H and imidazolinone carbonyl oxygen. However, the networking of these dimeric units showed a subtle difference in all the polymorphs. The 2D isostructurality was observed between polymorphs I, II and III, while the other two polymorphs IV and V revealed only {\textquoteleft}zero-dimensional{\textquoteright} isostructurality. The different fluorescence emissions of Form I (blue) and Forms II to V (yellow) were attributed to the differences in pi-stacking interactions. It shows that one can modulate the photophysical properties of these smart materials by slightly altering their crystal structure. Such an approach will aid in developing new multi-colour organic fluorescent materials of varying crystal structures for live-cell imaging and fluorescent sensing applications.

}, keywords = {green fluorescent protein, hydrogen bonds, isostructurality, photoluminescence, pi-stacking, Polymorphs}, doi = {10.1107/S2052520620010343}, author = {Mali, Bhupendra P. and Dash, Soumya Ranjan and Nikam, Shrikant B. and Puthuvakkal, Anisha and Vanka, Kumar and Manoj, Kochunnoonny and Gonnade, Rajesh G.} } @article {46780, title = {General and concise asymmetric synthesis of sphingosine, safingol and phytosphingosines via tethered aminohydroxylation (vol 8, pg 5074, 2010)}, journal = {Organic \& Biomolecular Chemistry}, volume = {18}, year = {2020}, month = {JUL}, pages = {5265}, type = {Correction}, issn = {1477-0520}, doi = {10.1039/d0ob90089c}, author = {Kumar, Pradeep and Dubey, Abhishek and Puranik, Vedavati G.} } @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 {46925, title = {Geometrical isomerism directed electrochemical sensing}, journal = {Analytical Chemistry}, volume = {92}, year = {2020}, month = {MAR}, pages = {4541-4547}, type = {Article}, abstract = {

We report the independent role of isomerism of secondary sphere substituents over their nature, a factor often overlooked in molecular electrocatalysis pertaining to electrochemical sensing, by establishing that isomerism redefines the electronic structure at the catalytic reaction center via geometrical factors. UV-vis spectroscopy and X-ray photoelectron spectroscopy suggest that a substituent{\textquoteright}s isomerism in molecular catalysts conjoins molecular planarity and catalytic activation through competing field effects and resonance effects. As a classical example, we demonstrate the influence of isomerism of the -NO2 substituents for the electrocatalytic multi electron oxidation of As(III), a potentially important electrochemical pathway for water remediation and arsenic detection. The isomerism dependent oxidative activation of catalytic center leads to a nonprecious molecular catalyst capable for direct As(III) oxidation with an experimental detection limit close to WHO guidelines. This work opens up an unusual approach in analytical chemistry for developing various sensing platforms for challenging chemical and electrochemical reactions.

}, issn = {0003-2700}, doi = {10.1021/acs.analchem.9b05753}, author = {Kottaichamy, Alagar Raja and Begum, Shabbah and Devendrachari, Mruthyunjayachar Chattanahalli and Bhat, Zahid Manzoor and Thimmappa, Ravikumar and Kotresh, Harish Makri Nimbegondi and Vinod, Chathakudath Prabhakaran and Thotiyl, Musthafa Ottakam} } @article {46605, title = {HDAC6 ZnF UBP as the modifier of tau structure and function}, journal = {Biochemistry}, volume = {59}, year = {2020}, month = {DEC }, pages = {4546-4562}, type = {Article}, abstract = {

Histone deacetylase 6 is a class H histone deacetylase primarily present in the cytoplasm and involved in the regulation of various cellular functions. It consists of two catalytic deacetylase domains and a unique zinc finger ubiquitin binding protein domain, which sets it apart from other HDACs. HDAC6 is known to regulate cellular activities by modifying the function of microtubules, HSP90, and cortactin through deacetylation. Apart from the catalytic activity of HDAC6, it interacts with other proteins through either the SE14 domain or the ZnF UBP domain to modulate their functions. Here, we have studied the role of the HDAC6 ZnF UBP domain as a modifier of Tau aggregation by its direct interaction with the polyproline region/repeat region of Tau. Interaction of HDAC6 ZnF UBP with Tau was found to reduce the propensity of Tau to self-aggregate and to disaggregate preformed aggregates in a concentration-dependent manner and also bring about the conformational changes in Tau protein. The interaction of HDAC6 ZnF UBP with Tau results in its degradation, suggesting either proteolytic activity of HDAC6 ZnF UBP or its role in enhancing autoproteolysis of Tau.

}, issn = {0006-2960}, doi = {10.1021/acs.biochem.0c00585}, author = {Balmik, Abhishek Ankur and Chidambaram, Hariharakrishnan and Dangi, Abha and Marelli, Udaya Kiran and Chinnathambi, Subashchandrabose} } @article {46845, title = {Hierarchical nanoflower arrays of Co9S8-Ni3S2 on nickel foam: a highly efficient binder-free electrocatalyst for overall water splitting}, journal = {Chemistry-A European Journal}, volume = {26}, year = {2020}, month = {JUN }, pages = {7900-7911}, type = {Article}, abstract = {

Hydrogen production is vital for meeting future energy demands and managing environmental sustainability. Electrolysis of water is considered as the suitable method for H-2 generation in a carbon-free pathway. Herein, the synthesis of highly efficient Co9S8-Ni3S2 based hierarchical nanoflower arrays on nickel foam (NF) is explored through the one-pot hydrothermal method (Co9S8-Ni3S2/NF) for overall water splitting applications. The nanoflower arrays are self-supported on the NF without any binder, possessing the required porosity and structural characteristics. The obtained Co9S8-Ni3S2/NF displays high hydrogen evolution reaction (HER), as well as oxygen evolution reaction (OER), activities in 1 m KOH solution. The overpotentials exhibited by this system at 25 mA cm(-2) are nearly 277 and 102 mV for HER and OER, respectively, in 1 m KOH solution. Subsequently, the overall water splitting was performed in 1 m KOH solution by employing Co9S8-Ni3S2/NF as both the anode and cathode, where the system required only 1.49, 1.60, and 1.69 V to deliver the current densities of 10, 25, and 50 mA cm(-2), respectively. Comparison of the activity of Co9S8-Ni3S2/NF with the state-of-the-art Pt/C and RuO2 coated on NF displays an enhanced performance for Co9S8-Ni3S2/NF both in the half-cell as well as in the full cell, emphasizing the significance of the present work. The post analysis of the material after water electrolysis confirms that the surface Co(OH)(2) formed during the course of the reaction serves as the favorable active sites. Overall, the activity modulation achieved in the present case is attributed to the presence of the open-pore morphology of the as formed nanoflowers of Co9S8-Ni3S2 on NF and the simultaneous presence of the surface Co(OH)(2) along with the highly conducting Co9S8-Ni3S2 core, which facilitates the adsorption of the reactants and subsequently its conversion into the gaseous products during water electrolysis.

}, keywords = {cobalt sulfide, electrocatalysts, Hydrogen evolution, overall water splitting, oxygen evolution}, issn = {0947-6539}, doi = {10.1002/chem.202000839, Early Access Date = MAY 2020}, author = {Illathvalappil, Rajith and Walko, Priyanka S. and Kanheerampockil, Fayis and Bhat, Suresh K. and Devi, R. Nandini and Kurungot, Sreekumar} } @article {46729, title = {Highly durable Li-ion battery anode from Fe3O4 nanoparticles embedded in nitrogen-doped porous carbon with improved rate capabilities}, journal = {Journal of Materials Science}, volume = {55}, year = {2020}, month = {NOV}, pages = {15667-15680}, type = {Article}, abstract = {

For next generation, lithium-ion batteries (LIBs) developing high capacity anode materials are crucial with increasing demand of large-scale application. Conversion-type anode materials are promising if stable cycling behavior could be achieved. In this work, a nitrogen-doped porous carbon-Fe3O4(NPC-Fe3O4) nanocomposite is synthesized via a simple and scalable approach. Composite is prepared by pyrolysis of polymer silica hybrid PolyHIPE (high internal phase emulsion) into NPC, and Fe3O4 nanoparticles (NPs) are anchored on its surface via hydrothermal synthesis. As-prepared NPC-Fe3O4 nanocomposite delivers high reversible capacity of around 1001 mAhg(-1)at 0.1 Ag-1 current density and rate capabilities and displays excellent cycling stability as high as 95\% capacity retention even after 400 cycles. Superior electrochemical performance of NPC-Fe3O4 is attributed to the hierarchical porous structure and nitrogen doping of carbon which shorten the diffusion path of Li+ and provide ample space to prevent aggregation of Fe3O nanoparticles. [GRAPHICS] .

}, issn = {0022-2461}, doi = {10.1007/s10853-020-05143-y, Early Access Date = AUG 2020}, author = {Deshmukh, Ashvini B. and Dwivedi, Pravin K. and Nalawade, Archana C. and Qureshi, Mohammed S. and Shelke, Manjusha V.} } @article {47021, title = {High-throughput metabolomic and transcriptomic analyses vet the potential route of cerpegin biosynthesis in two varieties of Ceropegia bulbosa Roxb.}, journal = {Planta}, volume = {251}, year = {2020}, month = {JAN}, pages = {28}, type = {Article}, abstract = {

Ceropegia bulbosa is an important medicinal plant, used in the treatment of various ailments including diarrhea, dysentery, and syphilis. This is primarily attributed to the presence of pharmaceutically active secondary metabolites, especially cerpegin. As this plant belongs to an endemic threatened category, genomic resources are not available hampering exploration on the molecular basis of cerpegin accumulation till now. Therefore, we undertook high-throughput metabolomic and transcriptomic analyses using different tissues from two varieties namely, C. bulbosa var. bulbosa and C. bulbosa var. lushii. Metabolomic analysis revealed spatial and differential accumulation of various metabolites. We chemically synthesized and characterized the cerpegin and its derivatives by liquid chromatography tandem-mass spectrometry (LC-MS/MS). Importantly, these comparisons suggested the presence of cerpegin and 5-allyl cerpegin in all C. bulbosa tissues. Further, de novo transcriptome analysis indicated the presence of significant transcripts for secondary metabolic pathways through the Kyoto encyclopedia of genes and genomes database. Tissue-specific profiling of transcripts and metabolites showed a significant correlation, suggesting the intricate mechanism of cerpegin biosynthesis. The expression of potential candidate genes from the proposed cerpegin biosynthetic pathway was further validated by qRT-PCR and NanoString nCounter. Overall, our findings propose a potential route of cerpegin biosynthesis. Identified transcripts and metabolites have built a foundation as new molecular resources that could facilitate future research on biosynthesis, regulation, and engineering of cerpegin or other important metabolites in such non-model plants.

}, keywords = {5-Allyl cerpegin, Ceropegia, Cerpegin, LC-MS, metabolite, Transcriptome}, issn = {0032-0935}, doi = {10.1007/s00425-019-03319-8}, author = {Gharat, Sachin A. and Shinde, Balkrishna A. and Mule, Ravindra D. and Punekar, Sachin A. and Dholakia, Bhushan B. and Jayaramaiah, Ramesha H. and Ramaswamy, Gopalakrishna and Giri, Ashok P.} } @article {46891, title = {Identification and expression analysis of miRNAs and elucidation of their role in salt tolerance in rice varieties susceptible and tolerant to salinity}, journal = {PloS One}, volume = {15}, year = {2020}, month = {APR}, pages = {e0230958}, type = {Article}, abstract = {

Soil salinization is a serious problem for cultivation of rice, as among cereals rice is the most salt sensitive crop, and more than 40\% of the total agricultural land amounting to approximately 80 million ha the world over is salt affected. Salinity affects a plant in a varieties of ways, including ion toxicity, osmotic stress and oxidative damage. Since miRNAs occupy the top place in biochemical events determining a trait, understanding their role in salt tolerance is highly desirable, which may allow introduction of the trait in the rice cultivars of choice through biotechnological interventions. High throughput sequencing of sRNAs in the root and shoot tissues of the seedlings of the control and NaCl treated Pokkali, a salt-tolerant rice variety, identified 75 conserved miRNAs and mapped 200 sRNAs to the rice genome as novel miRNAs. Expression of nine novel miRNAs and two conserved miRNAs were confirmed by Northern blotting. Several of both conserved and novel miRNAs that expressed differentially in root and/or shoot tissues targeted transcription factors like AP2/EREBP domain protein, ARF, NAC, MYB, NF-YA, HD-Zip III, TCP and SBP reported to be involved in salt tolerance or in abiotic stress tolerance in general. Most of the novel miRNAs expressed in the salt tolerant wild rice Oryza coarctata, suggesting conservation of miRNAs in taxonomically related species. One of the novel miRNAs, osa-miR12477, also targeted L- upon salt treatment, which was confirmed by DAB staining. Thus, salt tolerance might involve miRNA-mediated regulation of 1) cellular abundance of the hormone signaling components like EREBP and ARF, 2) synthesis of abiotic stress related transcription factors, and 3) antioxidative component like LAO for mitigation of oxidative damage. The study clearly indicated importance of osa-miR12477 regulated expression of LAO in salt tolerance in the plant.

}, issn = {1932-6203}, doi = {10.1371/journal.pone.0230958}, author = {Parmar, Shaifaly and Gharat, Sachin Ashruba and Tagirasa, Ravichandra and Chandra, Tilak and Behera, Lambodar and Dash, Sushant Kumar and Shaw, Birendra Prasad} } @article {46746, title = {Imines as acceptors and donors in N-heterocyclic carbene (NHC) organocatalysis}, journal = {Chemical Communications}, volume = {56}, year = {2020}, month = {AUG }, pages = {8537-8552}, type = {Article}, abstract = {

The synthetic potential of imines as electrophiles or as a source of nucleophilic coupling partner in N-heterocyclic carbene (NHC) catalysis for the synthesis of various nitrogen heterocycles and functionalized amines is highlighted in this Feature Article. Electrophilic imines are suitable candidates for intercepting the NHC-derived acyl anions, homoenolate equivalents, and (di)enolates for the synthesis of alpha-amino ketones and a variety of lactam derivatives. Moreover, enamines generated from imines bearing alpha-hydrogen could be trapped with alpha,beta-unsaturated acylazoliums for the synthesis of functionalized dihydropyridinones. NHCs are also useful for the umpolung of imines for the generation of aza-Breslow intermediates thus leading to the synthesis of indoles, quinolines, dihydroquinoxalinesetc.A concise account of the diverse reactivity of imines in NHC catalysis has been presented.

}, issn = {1359-7345}, doi = {10.1039/d0cc03290e}, author = {Das, Tamal Kanti and Biju, Akkattu T.} } @article {46761, title = {In situ cross-linked nonaqueous polymer electrolyte for zinc-metal polymer batteries and hybrid supercapacitors}, journal = {Small}, volume = {16}, year = {2020}, month = {SEP}, pages = {2002528}, type = {Article}, abstract = {

This work reports the facile synthesis of nonaqueous zinc-ion conducting polymer electrolyte (ZIP) membranes using an ultraviolet (UV)-light-induced photopolymerization technique, with room temperature (RT) ionic conductivity values in the order of 10(-3)S cm(-1). The ZIP membranes demonstrate excellent physicochemical and electrochemical properties, including an electrochemical stability window of \>2.4 V versus Zn|Zn(2+)and dendrite-free plating/stripping processes in symmetric Zn||Zn cells. Besides, a UV-polymerization-assisted in situ process is developed to produce ZIP (abbreviated i-ZIP), which is adopted for the first time to fabricate a nonaqueous zinc-metal polymer battery (ZMPB; VOPO4|i-ZIP|Zn) and zinc-metal hybrid polymer supercapacitor (ZMPS; activated carbon|i-ZIP|Zn) cells. The VOPO(4)cathode employed in ZMPB possesses a layered morphology, exhibiting a high average operating voltage of approximate to 1.2 V. As compared to the conventional polymer cell assembling approach using the ex situ process, the in situ process is simple and it enhances the overall electrochemical performance, which enables the widespread intrusion of ZMPBs and ZMPSs into the application domain. Indeed, considering the promising aspects of the proposed ZIP and its easy processability, this work opens up a new direction for the emergence of the zinc-based energy storage technologies.

}, keywords = {nonaqueous electrolytes, polymer electrolytes, postlithium batteries, Supercapacitors, zinc-metal batteries}, issn = {1613-6810}, doi = {10.1002/smll.202002528, Early Access Date = JUL 2020}, author = {Vijayakumar, Vidyanand and Ghosh, Meena and Kurian, Maria and Torris, Arun and Dilwale, Swati and Badiger, V. Manohar and Winter, Martin and Nair, Jijeesh Ravi and Kurungot, Sreekumar} } @article {46672, title = {Inhibition of quorum sensing, motility and biofilm formation ofpseudomonas aeruginosaby copper oxide nanostructures}, journal = {Journal of Cluster Science}, volume = {32}, year = {2020}, month = {OCT}, pages = {1531 - 1541}, type = {Article; Early Access}, abstract = {

Quorum sensing (QS) is the communication between bacterial cells governed by their population density and regulated by the genes controlling virulence factors and biofilm formation. Multiple mechanisms of biofilms are resistive to antimicrobial chemotherapy; therefore novel strategies are required to overcome its limitations. Here, we report the effect of various copper oxide nanostructures (CuO-NSs) on quorum sensing inhibition. The two-dimensional CuO-NSs such as interlaced nanodiscs, nanodiscs and leaf-shaped nanosheets are prepared via a simple chemical method. The Quorum sensing inhibition (QSI) activity of all the CuO-NS are examined using reporter strainChromobacterium violaceumCV026 andEscherichia colipSB1142. We found that the CuO-interlaced nanodisc structures exhibit better QSI activity than nanodiscs and leaf-shaped sheets. The interlaced nanodisc structures are inhibited various long-chainN-acyl homoserine lactones (AHLs) mediated QS individually and confirmed by other QS-associated phenomena forPseudomonas aeruginosa, including biofilm inhibition, inhibition of virulence factors such as pyocyanin, protease production and swarming motility. Thus QSI activity of CuO-NSs is solely dependent on specific shape offering large surface area and more active sites. The CuO-NS is effective quorum sensing inhibitors, which has potential clinical applications in the management ofP. aeruginosaassociated infections.

}, keywords = {aeruginosa, Biofilm, Nanostructures, P, quorum sensing, Virulence factors}, isbn = {1572-8862}, issn = {1040-7278}, doi = {10.1007/s10876-020-01916-2}, author = {Desai, Dnyanada G. and Swarali, H. and Navale, Govinda R. and Prabhune, A. and Late, Dattatray J. and Dharne, Mahesh S. and Walke, Pravin S.} } @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 {46710, title = {Interaction of Tau with the chemokine receptor, CX3CR1 and its effect on microglial activation, migration and proliferation}, journal = {Cell and Bioscience}, volume = {10}, year = {2020}, month = {SEP}, pages = {109}, type = {Review}, abstract = {

Alzheimer{\textquoteright}s disease (AD) is a neurodegenerative disease that leads to progressive loss of memory and dementia. The pathological hallmarks of AD include extracellular accumulation of amyloid-beta peptides forming senile plaques and intracellular accumulation of Tau oligomers and filamentous species. Tau is a microtubule-binding protein that stabilizes tubulin to form microtubules under physiological condition. In AD/ pathological condition, Tau detaches from microtubules and aggregates to form oligomers of different sizes and filamentous species such as paired helical filaments. Microglia are the resident brain macrophages that are involved in the phagocytosis of microbes, cellular debris, misfolded and aggregated proteins. Chemokine receptor, CX3CR1 is mostly expressed on microglia and is involved in maintaining the microglia in a quiescent state by binding to its ligand, fractalkine (CX3CL1), which is expressed in neurons as both soluble or membrane-bound state. Hence, under physiological conditions, the CX3CR1/CX3CL1 axis plays a significant role in maintaining the central nervous system (CNS) homeostasis. Further, CX3CR1/CX3CL1 signalling is involved in the synthesis of anti-inflammatory cytokines and also has a significant role in cytoskeletal rearrangement, migration, apoptosis and proliferation. In AD brain, the expression level of fractalkine is reduced, and hence Tau competes to interact with its receptor, CX3CR1. In microglia, phagocytosis and internalization of extracellular Tau species occurs in the presence of a chemokine receptor, CX3CR1 which binds directly to Tau and promotes its internalization. In this review, the pathophysiological roles of CX3CR1/fractalkine signalling in microglia and neurons at different stages of Alzheimer{\textquoteright}s disease and the possible role of CX3CR1/Tau signalling has been widely discussed.

}, keywords = {Alzheimer{\textquoteright}s disease, CX3CR1 receptor, Fractalkine, microglia, Neuron, Tau}, doi = {10.1186/s13578-020-00474-4}, author = {Chidambaram, Hariharakrishnan and Das, Rashmi and Chinnathambi, Subashchandrabose} } @article {47140, title = {Isolation of potent alpha-glucosidase inhibitor from a novel marine bacterium Arthrobacter enclensis}, journal = {SN Applied Sciences}, volume = {2}, year = {2020}, month = {FEB}, pages = {Article number: 474}, abstract = {

Alpha-glucosidases are involved in the hydrolyzation of glycosidic bond of di- or oligo-saccharides into mono-saccharides, thus help in the breakdown and absorption of sugars. Inhibition of alpha-glucosidases by inhibitors tend to slow break down and release of sugars into the bloodstream and can be used as therapeutic agents in the treatment of diabetes and obesity. In particular, some of the inhibitors are used in the treatment mainly acarbose, voglibose, and miglitol. In this study, we have reported the alpha-glucosidase inhibitory compound from a newly described marine bacterium Arthrobacter enclensis. The purified compound from A. enclensis was identified by HPLC, and further FTIR and tandem mass spectrometry (MS/MS) methods. The purified compound was annotated and identified by a Web tool CFM-ID (Competitive Fragmentation Modeling for Metabolite Identification). From analysis it was found that the compound showed high similarity with acarbose which is a C7N aminocyclitol compound. Further, we analyze the draft genome of A. enclensis using anti-SMASH. We observed that it matches the homology with biosynthetic gene cluster of acarviostatin and acarbose with 11\% and 7\% respectively. We demonstrated that, the purified compound from A. enclensis shows the inhibitory activity against alpha-glucosidase with an IC50 value of 500 {\textpm} 0.142\ μg/ml as compared to standard acarbose, which showed an IC50 value of 200 {\textpm} 0.012\ μg/ml. This result suggests that A. enclensis has a tendency to produce a C7N aminocyclitol like molecule which matched to acarbose and it uses different biosynthetic gene cluster for the synthesis of C7N aminocyclitol like molecule, which can be further used for the production and treatment purpose.

}, doi = {10.1007/s42452-020-2285-3}, author = {Mawlankar, Rahul B. and Dharne, Mahesh S. and Dastager, Syed G.} } @article {46889, title = {Kinetics of hydroformylation of camphene using rhodium-phosphite catalyst}, journal = {International Journal of Chemical Kinetics}, volume = {52}, year = {2020}, month = {JUL}, pages = {485-495}, type = {Article}, abstract = {

Kinetics of hydroformylation of camphene was investigated in the presence of [Rh(CO)(2)(acac)]/P(OPh)(3) catalyst in a temperature range of 363-383 K. The influence of parameters such as stirring speed, camphene, catalyst, ligand concentrations, and partial pressures of H-2 and CO on the activity and selectivity of the catalyst has been studied. The rate showed a first-order dependence with respect to catalyst and camphene concentrations. The effect of partial pressure of hydrogen showed fractional order dependence. The plots of rate versus excess ligand, that is, (P(OPh)(3)) concentration and rate versus CO partial pressure passed through maxima and showed typical substrate/ligand inhibited kinetics. An empirical rate equation has been proposed and found to be in good agreement with the observed rate data. The kinetic parameters and activation energy were also evaluated.

}, keywords = {camphene, homogeneous, Hydroformylation, kinetics, rhodium-phosphite}, issn = {0538-8066}, doi = {10.1002/kin.21364, Early Access Date = APR 2020}, author = {Pagar, Nitin S. and Rajurkar, Kalpendra B. and Deshpande, Raj M.} } @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 {46874, title = {Mechanistic aspects of methanol electro-oxidation reaction through cyclic voltammetry: is it correct to blame carbon monoxide for catalyst poisoning?}, journal = {Energy Technology}, volume = {8}, year = {2020}, month = {MAY}, pages = {1900955}, type = {Article}, abstract = {

The mechanism of the methanol oxidation reaction is revisited using systematic cyclic voltammetric studies. These studies clearly indicate that the peak during the cathodic scan belongs mainly to electro-oxidation of the carbon monoxide, and that only a fraction of this carbon monoxide remains adsorbed on the electrode, contrary to what previous reports suggested. More details can be found in article number by Bhagavatula L. V. Prasad and co-workers.

}, keywords = {carbon monoxide, cyclic voltammetry, electrocatalysts, electrode poisoning, Methanol oxidation}, issn = {2194-4288}, doi = {10.1002/ente.201900955}, author = {Deshpande, Pooja S. and Chaudhari, Vijay R. and Prasad, Bhagavatula L. V.} } @article {46945, title = {Melatonin interacts with repeat domain of Tau to mediate disaggregation of paired helical filaments}, journal = {Biochimica Et Biophysica Acta-General Subjects}, volume = {1864}, year = {2020}, month = {MAR}, pages = {129467}, type = {Article}, abstract = {

Tau is the major neuronal protein involved in the stabilization of microtubule assembly. In Alzheimer{\textquoteright}s disease, Tau self-assembles to form intracellular protein aggregates which are toxic to cells. Various methods have been tried and tested to restrain the aggregation of Tau. Most of the agents tested for this purpose have limitations in their effectiveness and availability to neuronal cells. We have tested melatonin, a neurohormone secreted by pineal gland and a well-known anti-oxidant, for its ability to interact with the repeat domain of Tau using ITC and NMR. In aggregation inhibition and disaggregation studies of repeat Tau, melatonin was found to modulate the aggregation propensity of repeat Tau at a concentration of 5000 mu M and was more effective in dissolving preformed aggregates rather than acting as an aggregation inhibitor. However, there were no major conformational changes in Tau in presence of melatonin as observed by CD spectroscopy. On the basis of our findings, we are proposing a mechanism by which melatonin can interact with the repeat domain of Tau and exhibit its disaggregation effect.

}, keywords = {Alzheimer{\textquoteright}s disease, Disaggregation, melatonin, Paired helical filaments, tau protein, Tauopathies}, issn = {0304-4165}, doi = {10.1016/j.bbagen.2019.129467}, author = {Balmik, Abhishek Ankur and Das, Rashmi and Dangi, Abha and Gorantla, Nalini Vijay and Marelli, Udaya Kiran and Chinnathambi, Subashchandrabose} } @article {46613, title = {Melatonin reduces GSK3 beta-mediated tau phosphorylation, enhances Nrf2 nuclear translocation and anti-inflammation}, journal = {ASN Neuro}, volume = {12}, year = {2020}, month = {DEC}, pages = {1759091420981204}, type = {Article}, abstract = {

Alzheimer{\textquoteright}s disease is a neuropathological condition with abnormal accumulation of extracellular Amyloid-beta plaques and intracellular neurofibrillary tangles of Microtubule-associated protein Tau (Tau) in the brain. In pathological conditions, Tau undergoes post-translational modifications such as hyperphosphorylation by the activity of cellular kinases, which eventually leads to protein aggregation in neurons. Melatonin is a neuro-hormone that is mainly secreted from the pineal gland and functions to modulate the cellular kinases. In our study, we have checked the neuroprotective function of Melatonin by MTT and LDH assay, where Melatonin inhibited the Tau aggregates-mediated cytotoxicity and membrane leakage in Neuro2A cells. The potency of Melatonin has also been studied for the quenching of intracellular reactive oxygen species level by DCFDA assay and caspase 3 activity. Melatonin was shown to reduce the GSK3 beta mRNA and subsequent protein level as well as the phospho-Tau level (pThr181 and pThr212-pSer214) in okadaic acid-induced Neuro2A cells, as observed by western blot and immunofluorescence assay. Further, Melatonin has increased the cellular Nrf2 level and its nuclear translocation as an oxidative stress response in Tauopathy. The Melatonin was found to induce pro- and anti-inflammatory cytokines levels in N9 microglia. The mRNA level of cellular kinases such as as-GSK3 beta, MAPK were also studied by qRT-PCR assay in Tau-exposed N9 and Neuro2A cells. The immunomodulatory effect of Melatonin was evident as it induced IL-10 and TGF-beta cytokine levels and activated MAP3K level in Tau-exposed microglia and neurons, respectively. Melatonin also downregulated the mRNA level of pro-inflammatory markers, IL-1 beta and Cyclooxygenase-2 in N9 microglia. Together, these findings suggest that Melatonin remediated the cytokine profile of Tau-exposed microglia, reduced Tau hyperphosphorylation by downregulating GSK3 beta level, and alleviated oxidative stress via Nrf2 nuclear translocation.

}, keywords = {Alzheimer\&\#8217, Anti-inflammatory, GSK3\&\#946, melatonin, microglia, neurodegeneration, Nrf2, s disease, Tau hyperphosphorylation}, issn = {1759-0914}, doi = {10.1177/1759091420981204}, author = {Das, Rashmi and Balmik, Abhishek Ankur and Chinnathambi, Subashchandrabose} } @article {47315, title = {Metagenome sequencing to unveil microbial community composition and prevalence of antibiotic and metal resistance genes in hypersaline and hyperalkaline Lonar Lake, India}, journal = {Ecological Indicators}, volume = {110}, year = {2020}, month = {MAR}, pages = {105827}, type = {Article}, abstract = {

Lonar Lake (India) is a hyperalkaline and hypersaline soda lake encompassing unique microbial composition and functions. This ecosystem has not been explored for taxonomic diversity and functional aspects (with emphasis on antibiotic and metal resistance genes) using whole metagenome sequencing for multiple years. Bacterial diversity analysis during year 2013, 2016, and 2018 depicted differences in the dominance of Proteobacteria, Firmicutes and Bacteroidetes. For archaeal diversity, a similar pattern persisted with higher abundance of Euryarchaeota. Functional metagenome analyses, indicated presence of antibiotic resistance gene (ARG) and metal resistance gene (MRG) profiles in the lake. A wider continuum of resistance genes with dominant ARG types as multidrug resistance efflux pumps and beta-lactams were also observed. The lake resistome demonstrated fluoroquinolone and acriflavine resistance genes indicating sewage water contamination in the lake. The MRGs linked with resistance to toxic metals (arsenic, cobalt, cadmium, copper, and zinc) and cation efflux protein CusA and cobalt-zinc-cadmium resistance protein revealed metal contamination. This study could be a baseline for understanding prevalence of antibiotic and metal resistance mechanisms resulting from various anthropogenic activities nearby lake, and find integrated approaches for conservation of the precious Lonar Lake ecosystem.

}, keywords = {Archaeal diversity, ARGs, Bacterial diversity, Illumina sequencing, Lonar lake, MRGs}, issn = {1470-160X}, doi = {10.1016/j.ecolind.2019.105827}, author = {Chakraborty, Jaya and Sapkale, Vibhavari and Shah, Manan and Rajput, Vinay and Mehetre, Gajanan and Agawane, Sachin and Kamble, Sanjay and Dharne, Mahesh} } @article {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 {46922, title = {Molecular networking and whole-genome analysis aid discovery of an angucycline that inactivates mTORC1/C2 and induces programmed cell death}, journal = {ACS Chemical Biology}, volume = {15}, year = {2020}, month = {MAR}, pages = {780-788}, type = {Article}, abstract = {

Rediscovery of known compounds and time consumed in identification, especially high molecular weight compounds with complex structure, have let down interest in drug discovery. In this study, whole-genome analysis of microbe and Global Natural Products Social (GNPS) molecular networking helped in initial understanding of possible compounds produced by the microbe. Genome data revealed 10 biosythethic gene clusters that encode for secondary metabolites with anticancer potential. NMR analysis of the pure compound revealed the presence of a four-ringed benz[a]anthracene, thus confirming angucycline; molecular networking further confirmed production of this class of compounds. The type II polyketide synthase gene identified in the microbial genome was matched with the urdamycin duster by BLAST analysis. This information led to ease in identification of urdamycin E and a novel natural derivative, urdamycin V, purified from Streptomyces sp. OA293. Urdamycin E (Urd E) induced apoptosis and autophagy in cancer cell lines. Urd E exerted anticancer action through inactivation of the mTOR complex by preventing phosphorylation at Ser 2448 and Ser 2481 of mTORC1 and mTORC2, respectively. Significant reduction in phosphorylation of the major downstream regulators of both mTORC1 (p70s6k and 4e-bp1) and mTORC2 (Akt) were observed, thus further confirming complete inhibition of the mTOR pathway. Urd E presents itself as a novel mTOR inhibitor that employs a novel mechanism in mTOR pathway inhibition.

}, issn = {1554-8929}, doi = {10.1021/acschembio.0c00026}, author = {Dan, Vipin Mohan and Vinodh, J. S. and Sandesh, C. J. and Sanawar, Rahul and Lekshmi, Asha and Kumar, R. Ajay and Kumar, T. R. Santhosh and Marelli, Uday Kiran and Dastager, Syed G. and Pillai, M. Radhakrishna} } @article {46904, title = {Morphological evolution of two-dimensional porous hexagonal trimesic acid framework}, journal = {ACS Applied Materials \& Interfaces}, volume = {12}, year = {2020}, month = {APR }, pages = {15588-15594}, type = {Article}, abstract = {

Hexagonal single crystal structure (Form II) of trimesic acid (TMA) has been isolated by dissolving the interpenetrated Form I of TMA in tetrahydrofuran. Form II (hexagonal) was converted to Form I (interpenetrated) at room temperature through some intermediate structures. A detailed time-dependent FESEM study shows that the external morphology of Form II (hexagonal) is a hollow hexagonal tube that mimics its crystal structure. The block-shaped (morphology) of Form I (interpenetrated) was converted to the hollow hexagonal tube through some intermediate morphologies which are corresponding to particular crystal structures. Here, we have established a strong correlation between crystal structures with the morphology. These hollow tubes have been employed for Rhodamine B dye adsorption studies and showed an uptake of 82\%, much more significant than Form I (interpenetrated) (39\%) due to the presence of a pore channel in the crystal structure.

}, keywords = {dye adsorption, hollow hexagonal rod, hydrogen-bonded organic framework, morphology evaluation, trimesic acid}, issn = {1944-8244}, doi = {10.1021/acsami.0c01398}, author = {Tothadi, Srinu and Koner, Kalipada and Dey, Kaushik and Addicoat, Matthew and Banerjee, Rahul} } @article {46868, title = {Naftopidil molecular salts with improved dissolution and permeation}, journal = {Crystal Growth \& Design}, volume = {20}, year = {2020}, month = {MAY }, pages = {3064-3076}, type = {Article}, abstract = {

Naftopidil (NFPD) is a alpha 1 adrenoceptor antagonist drug. Low solubility and low permeability are the major drawbacks of this drug. The synthesis of multicomponent crystalline forms of this amine functional group drug with carboxylic acid coformers, both achiral and chiral acids, provides a solution to improve its solubility as well as permeability. Nine molecular salts were crystallized by liquid-assisted grinding followed by isothermal crystallization. Single-crystal X-ray diffraction analysis of the molecular salts showed that the structures are stabilized by strong N-H center dot center dot center dot O and O-H center dot center dot center dot O and weak C-H center dot center dot center dot O hydrogen bonds in the solid state. The bulk phase purity of new solid forms was confirmed by powder X-ray diffraction (PXRD), and the crystalline products were further characterized by IR spectroscopy and thermal analytical techniques (differential scanning calorimetry). The molecular salts exhibit superior dissolution rates compared to pure NFPD. However, during dissolution, NFPD showed decrease in concentration after 60 min for all salts due to precipitation. The supersaturation occurred due to salt disproportionation, which generates insoluble NFPD, as confirmed by PXRD of the residue. The salts reach high saturation concentration before 60 min, which is indicative of immediate release formulation to achieve fast onset of therapeutic activity. Moreover, the salts exhibit high saturation in phosphate buffer saline media and improved permeability compared to the pure drug. Finally, the D,L-malic acid racemate of NFPD shows enhanced dissolution and permeability compared to all other salts and pure NFPD.

}, issn = {1528-7483}, doi = {10.1021/acs.cgd.9b01689}, author = {Mannava, M. K. Chaitanya and Dandela, Rambabu and Tothadi, Srinu and Solomon, K. Anand and Nangia, Ashwini K.} } @article {47158, title = {Nanoparticle size-fractionation through self-standing porous covalent organic framework films}, journal = {Angewandte Chemie-International Edition}, volume = {59}, year = {2020}, month = {JAN}, pages = {1161-1165}, type = {Article}, abstract = {

Covalent organic frameworks (COFs) have attracted attention due to their ordered pores leading to important industrial applications like storage and separation. Combined with their modular synthesis and pore engineering, COFs could become ideal candidates for nanoseparations. However, the fabrication of these microcrystalline powders as continuous, crack-free, robust films remains a challenge. Herein, we report a simple, slow annealing strategy to construct centimeter-scale COF films (Tp-Azo and Tp-TTA) with micrometer thickness. The as-synthesized films are porous (SA(BET)=2033 m(2) g(-1) for Tp-Azo) and chemically stable. These COFs have distinct size cut-offs (ca. 2.7 and ca. 1.6 nm for Tp-Azo and Tp-TTA, respectively), which allow the size-selective separation of gold nanoparticles. Unlike, other conventional membranes, the durable structure of the COF films allow for excellent recyclability (up to 4 consecutive cycles) and easy recovery of the gold nanoparticles from the solution.

}, keywords = {covalent organic frameworks, films, nanofilter, Nanoparticles, size-selective separation}, issn = {1433-7851}, doi = {10.1002/anie.201912381, Early Access Date = DEC 2019}, author = {Dey, Kaushik and Kunjattu, Shebeeb H. and Chahande, Anurag M. and Banerjee, Rahul} } @article {46784, title = {Nanoscale interplay of membrane composition and amyloid self-assembly}, journal = {Journal of Physical Chemistry B}, volume = {124}, year = {2020}, month = {JUL}, pages = {5837-5846}, type = {Article}, abstract = {

Cell membranes are complex assemblies of lipids and proteins exhibiting lipid compositional heterogeneity between the inner and outer leaflets of the bilayer. Aberrant protein aggregation, implicated in a number of neurodegenerative diseases including Alzheimer{\textquoteright}s, is known to result in both extracellular and intracellular deposits with divergent pathophysiological effects. Mounting evidence substantiates membrane-mediated amyloid effects and indicates membrane composition, particularly gangliosides, as a plausible factor influencing the fibrillation process. By employing exhaustive molecular dynamics simulations using a coarse-grained model, we probed the assembly behavior of amyloidogenic A beta(12-28) peptides on the chemically heterogeneous extracellular (outer) and cytosolic (inner) leaflets of a mammalian plasma membrane. Our results indicate that the compositional nature of the membrane has a crucial impact on the peptide self-assembly. Peptide oligomerization is hindered on the outer leaflet relative to the inner leaflet due to a competition between interpeptide and peptide-membrane interactions, resulting in higher population of smaller oligomers. The weaker associations among peptides on the outer membrane can be attributed to the favorable interactions of the peptides with gangliosides (GM) that characterize the extracellular membrane. At a higher peptide:GM ratio, we observe enhanced nanoclustering of GM lipids mediated by preferential GM-A beta binding. Interaction between peptide and GM further impacts local membrane curvature; there is a concomitant loss in membrane concavity due to looser GM packing. Our simulations provide molecular insights into the role of membrane composition on A beta aggregation and lend credence to earlier reports of ganglioside-mediated A beta aggregation in the outer membrane. We also demonstrate the effects of local peptide assemblies on the membrane structure and dynamics.

}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.0c03796}, author = {Menon, Sneha and Sengupta, Neelanjana and Das, Payel} } @article {46803, title = {New TBAF complex, highly stable, facile and selective source for nucleophilic fluorination: applications in batch and flow chemistry}, journal = {Asian Journal of Organic Chemistry}, volume = {9}, year = {2020}, month = {JUL}, pages = {1022-1026}, type = {Article}, abstract = {

Natural polysaccharides supported tetrabutylammonium fluoride (TBAF) complexes are prepared and found to be highly stable and selective fluoride source for well-renowned nucleophilic (SN2 type) fluorination reactions for the first time. Bacterial cellulose, plant cellulose, pectin, and starch derived TBAF complexes are synthesized, characterized (using SEM, TEM, and NMR techniques) and studied for their stability and reactivity. Heterogeneous bacterial cellulose-TBAF complex (NBu4(Bac-cell-OH)F) 1 was found to be highly stable and non-hygroscopic among all complexes, which gave high yields of fluorinated products in multi-gram scale in shorter reaction time. The primarily developed batch protocol was extended to solid-solid continuous flow reaction using an in-house built screw reactor, which furnished products in a few seconds of residence time (tR=20-25 sec) and excellent yields.

}, keywords = {Flow synthesis, fluorination, green chemistry, Sustainable Chemistry}, issn = {2193-5807}, doi = {10.1002/ajoc.202000235}, author = {Said, Madhukar S. and Khonde, Nilesh S. and Thorat, Meghana N. and Atapalkar, Ranjit S. and Kulkarni, Amol A. and Gajbhiye, Jayant and Dastager, Syed G.} } @article {46899, title = {N-heterocyclic carbene catalysis exploiting oxidative imine umpolung for the generation of imidoyl azoliums}, journal = {Journal of Organic Chemistry}, volume = {85}, year = {2020}, month = {APR }, pages = {5114-5121}, type = {Article}, abstract = {

Although NHC-catalyzed umpolung of imines are known, the related reactions under oxidative conditions are limited. Described herein is the two-step process involving the initial formation of aldimines from the corresponding aldehydes and 2-amino benzyl alcohols followed by NHC-catalyzed cyclization proceeding via the imidoyl azoliums under oxidative conditions. The reaction allowed the synthesis of trifluoromethylated 3,1-benzoxazines in good yields and broad scope. The role of NHC in the intramolecular cyclization and preliminary mechanistic experiments are also provided.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.0c00360}, author = {Das, Tamal Kanti and Madica, Krishnaprasad and Krishnan, Jagadeesh and Marelli, Udaya Kiran and Biju, Akkattu T.} } @article {47144, title = {N-heterocyclic carbene (NHC)-catalyzed transformations for the synthesis of heterocycles}, journal = {Progress in Heterocyclic Chemistry}, volume = {31}, year = {2020}, month = {JAN}, pages = {1-82}, type = {Book Chapter}, abstract = {

N-heterocyclic carbene (NHC)-based organocatalysis has been widely used for unconventional access to various target molecules. The use of chiral NHCs in the process results in the enantioselective synthesis of various heterocycles. The underlying principle of many of the NHC-catalyzed reactions is the remarkable ability of NHCs to reverse the normal mode of reactivity of aldehydes (umpolung). NHCs can catalyze transformations proceeding via the umpolung or nonumpolung mode for the synthesis of various functionalized molecules. The recent advances in the application of NHCs for the synthesis of various heterocyclic compounds are highlighted in this chapter.

}, keywords = {aldehyde umpolung, Aldimine umpolung, benzoin reaction, Breslow intermediates, Enantioselective synthesis, Heterocyclic synthesis, N-Heterocyclic carbene, Stetter reaction}, doi = {10.1016/B978-0-12-819962-6.00001-4}, author = {Das, Tamal Kanti and Biju, Akkattu T.} } @article {46894, title = {Novel cilengitide-based cyclic RGD peptides as alpha nu beta(3) integrin inhibitors}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {30}, year = {2020}, month = {APR}, pages = {127039}, type = {Article}, abstract = {

In this letter, we report a series of five new RGD-containing cyclic peptides as potent inhibitors to alpha nu beta(3) integrin protein. We have incorporated various unnatural lipophilic amino acids into the cyclic RGD framework of cilengitide, which is selective for alpha nu beta(3) integrin. All the newly synthesized cyclic peptides were evaluated in vitro solid phase binding assay and investigated for their binding behaviour towards integrin subtypes. All the cyclic peptides were synthesized in excellent yield following solution-phase coupling strategy. The cyclic RGD peptides 1a-e exhibited IC50 of 9.9, 5.5, 72, 11 and 3.3 nM, respectively, towards a alpha nu beta(3) integrin protein. This finding offers further opportunities for the introduction unusual amino acids into the cyclic peptide framework of cilengitide.

}, keywords = {Anticancer drugs, Cilengitide, Integrins, RGD cyclicpeptides}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2020.127039}, author = {Meena, Chhuttan L. and Singh, Dharmendra and Weinmueller, Michael and Reichart, Florian and Dangi, Abha and Marelli, Udaya Kiran and Zahler, Stefan and Sanjayan, Gangadhar J.} } @article {46738, title = {One pot hydrogenation of furfural to 2-methyl tetrahydrofuran over supported mono- and Bi-metallic catalysts}, journal = {ChemistrySelect}, volume = {5}, year = {2020}, month = {AUG }, pages = {9590-9600}, type = {Article}, abstract = {

2-Methyltetrahydrofuran is a valuable commercial product that can be obtained by direct hydrogenation of furfural. In the present study, among several carbon supported bimetallic Ir-Ni catalysts with different loadings screened, 4\% Ir-4\% Ni/C catalyst showed excellent activity in terms of direct conversion (99\%) to 2-MeTHF with a maximum selectivity of similar to 74\% at 220 degrees C and 750 psig, suppressing the formation of side chain as well as ring opening products. The catalytic activity was found to be mainly affected by catalyst preparation methods, metal loadings, surface composition, temperature, pressure and catalyst loading. HR-TEM and STEM revealed well dispersed Ir-Ni NPs having the particle sizes in the range of 2 to 5 nm. Different phases of Ir i. e. Ir degrees and IrO(2)as well as oxygen vacancies were found to be responsible for hydrogenation of furfural to 2-methyl furan while, Ni degrees and NiO were responsible for further hydrogenation to 2-MeTHF. The synergic effect between Ir and Ni was established through XPS, H-2-TPR analysis. With the help of some control experiments, the plausible reaction pathway was also proposed. The catalyst prepared by co-impregnation method found more effective than prepared by sequential addition method. At lower Ni loadings of 1\% and 2\%, low temperature of 160 degrees C as well as at low H(2)pressure of 250 psig, mixture of furfuryl alcohol and 2-methyl furan were formed selectively. Catalyst could be successfully reused up to 3 times without leaching of metals.

}, keywords = {2-Methyltetrahydrofuran, Bimetallic catalyst, furfural, Hydrogenation, OER type mechanism}, issn = {2365-6549}, doi = {10.1002/slct.202002322}, author = {Date, Nandan S. and Hengne, Amol M. and Huang, K. -W. and Chikate, Rajeev C. and Rode, Chandrashekhar V.} } @article {46838, title = {Palladium-catalyzed insertion of ethylene and 1,1-disubstituted difunctional olefins: an experimental and computational study}, journal = {ChemPlusChem}, volume = {85}, year = {2020}, month = {JUN}, pages = {1200-1209}, type = {Article}, abstract = {

Insertion or coordination copolymerization of ethylene with di-substituted olefins is challenging and the choice of di-substituted mono-functional olefin versus di-substituted di-functional olefin (DDO) appears to be decisive. Here we show that DDO-inserted species are amenable to ethylene insertion and polymerization. DDOs such as 2-acetamidoacrylic acid (AAA), methyl 2-acetamidoacrylate (MAAA), and ethyl 2-cyanoacrylate (ECA) were treated with palladium complex [{P perpendicular to O}PdMe(L)] (P perpendicular to O=kappa(2)-P,O-Ar2PC6H4SO2O with Ar=2-MeOC6H4; L=C2H6OS) and the existence of respective insertion intermediates in moderate yield (up to 37 \%) was established. These intermediates were exposed to ethylene and corresponding ethylene-inserted products were isolated and characterized. A careful comparison with three model compounds confirmed ethylene insertion and polymerization. Thus, the combined experimental and computational investigations show that DDO-inserted species can undergo ethylene insertion and polymerization.

}, keywords = {Homogeneous catalysis, insertion copolymerization, Olefins, Palladium, Polyethylene}, issn = {2192-6506}, doi = {10.1002/cplu.202000309}, author = {Gaikwad, Shahaji R. and Patel, Ketan and Deshmukh, Satej S. and Mote, Nilesh R. and Birajdar, Rajkumar S. and Pandole, Satish P. and Chugh, Jeetender and Chikkali, Samir H.} } @article {46726, title = {Pan-genomics of Ochrobactrum species from clinical and environmental origins reveals distinct populations and possible links}, journal = {Genomics}, volume = {112}, year = {2020}, month = {SEP}, pages = {3003-3012}, type = {Article}, abstract = {

Ochrobactrum genus is comprised of soil-dwelling Gram-negative bacteria mainly reported for bioremediation of toxic compounds. Since last few years, mainly two species of this genus, O. intermedium and O. anthropi were documented for causing infections mostly in the immunocompromised patients. Despite such ubiquitous presence, study of adaptation in various niches is still lacking. Thus, to gain insights into the niche adaptation strategies, pan-genome analysis was carried out by comparing 67 genome sequences belonging to Ochrobactrum species. Pan-genome analysis revealed it is an open pan-genome indicative of the continuously evolving nature of the genus. The presence/absence of gene clusters also illustrated the unique presence of antibiotic efflux transporter genes and type IV secretion system genes in the clinical strains while the genes of solvent resistance and exporter pumps in the environmental strains. A phylogenomic investigation based on 75 core genes depicted better and robust phylogenetic resolution and topology than the 16S rRNA gene. To support the pan-genome analysis, individual genomes were also investigated for the mobile genetic elements (MGE), antibiotic resistance genes (ARG), metal resistance genes (MRG) and virulence factors (VF). The analysis revealed the presence of MGE, ARG, and MRG in all the strains which play an important role in the species evolution which is in agreement with the pan-genome analysis. The average nucleotide identity (ANI) based on the genetic relatedness between the Ochrobactrum species indicated a distinction between individual species. Interestingly, the ANI tool was able to classify the Ochrobactrum genomes to the species level which were assigned till the genus level on the NCBI database.

}, keywords = {Antibiotic resistance, Average nucleotide identity, Clinical and environmental strains, Core genes, MinION, Virulence factors}, issn = {0888-7543}, doi = {10.1016/j.ygeno.2020.04.030}, author = {Gohil, Kushal and Rajput, Vinay and Dharne, Mahesh} } @article {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 {46996, title = {Pd-iminocarboxylate complexes and their behavior in ethylene polymerization}, journal = {Chemistry-An Asian Journal}, volume = {15}, year = {2020}, month = {FEB }, pages = {398-405}, type = {Article}, abstract = {

Designing co-catalyst-free late transition metal complexes for ethylene polymerization is a challenging task at the interface of organometallic and polymer chemistry. Herein, a set of new, co-catalyst-free, single-component catalytic systems for ethylene polymerization have been unraveled. Treatment of anthranilic acid with various aldehydes produced four iminocarboxylate ligands (L1-L4) in very good to excellent yield (75-92 \%). The existence of 2-((2-methoxybenzylidene)amino) benzoic acid (L1) has been unambiguously demonstrated using NMR spectroscopy, MS and single-crystal X-ray diffraction. A neutral Pd-iminocarboxylate complex [{N O}PdMe(L1)] (N O=kappa(2)-N,O-ArCHNC6H4CO2 with Ar=2-MeOC6H4) C1 was prepared by treating stoichiometric amount of L1.Na with palladium precursor. The identity of C1 was confirmed by 1-2D NMR spectroscopy and single-crystal X-ray diffraction studies. Along the same lines, palladium complexes C2-C4 were prepared from ligands L2-L4 respectively. In-situ high-pressure NMR investigations revealed that these Pd complexes are amenable to ethylene insertion and undergo facile beta-H elimination to produce propylene. These palladium complexes were then evaluated in ethylene polymerization reaction and various reaction parameters were screened. When C1-C4 were exposed to ethylene pressures of 10-50 bar, formation of low-molecular-weight polyethylene was observed.

}, keywords = {imine, Imine-carboxylate, Insertion polymerization, Pd complexes, Polyethylene}, issn = {1861-4728}, doi = {10.1002/asia.201901501, Early Access Date = JAN 2020}, author = {Deshmukh, Satej S. and Gaikwad, Shahaji R. and Gonnade, Rajesh G. and Pandole, Satish P. and Chikkali, Samir H.} } @article {47005, title = {Phagocytosis of full-length Tau oligomers by Actin-remodeling of activated microglia}, journal = {Journal of Neuroinflammation}, volume = {17}, year = {2020}, month = {JAN }, pages = {10}, type = {Article}, abstract = {

Background Alzheimer{\textquoteright}s disease is associated with the accumulation of intracellular Tau tangles within neurons and extracellular amyloid-beta plaques in the brain parenchyma, which altogether results in synaptic loss and neurodegeneration. Extracellular concentrations of oligomers and aggregated proteins initiate microglial activation and convert their state of synaptic surveillance into a destructive inflammatory state. Although Tau oligomers have fleeting nature, they were shown to mediate neurotoxicity and microglial pro-inflammation. Due to the instability of oligomers, in vitro experiments become challenging, and hence, the stability of the full-length Tau oligomers is a major concern. Methods In this study, we have prepared and stabilized hTau40(WT) oligomers, which were purified by size-exclusion chromatography. The formation of the oligomers was confirmed by western blot, thioflavin-S, 8-anilinonaphthaalene-1-sulfonic acid fluorescence, and circular dichroism spectroscopy, which determine the intermolecular cross-beta sheet structure and hydrophobicity. The efficiency of N9 microglial cells to phagocytose hTau40(WT) oligomer and subsequent microglial activation was studied by immunofluorescence microscopy with apotome. The one-way ANOVA was performed for the statistical analysis of fluorometric assay and microscopic analysis. Results Full-length Tau oligomers were detected in heterogeneous globular structures ranging from 5 to 50 nm as observed by high-resolution transmission electron microscopy, which was further characterized by oligomer-specific A11 antibody. Immunocytochemistry studies for oligomer treatment were evidenced with A11(+) Iba1(high) microglia, suggesting that the phagocytosis of extracellular Tau oligomers leads to microglial activation. Also, the microglia were observed with remodeled filopodia-like actin structures upon the exposure of oligomers and aggregated Tau. Conclusion The peri-membrane polymerization of actin filament and co-localization of Iba1 relate to the microglial movements for phagocytosis. Here, these findings suggest that microglia modified actin cytoskeleton for phagocytosis and rapid clearance of Tau oligomers in Alzheimer{\textquoteright}s disease condition.

}, keywords = {Actin, activation, Alzheimer{\textquoteright}s disease, microglia, migration, neurodegeneration, Tau Oligomers, Tauopathy}, doi = {10.1186/s12974-019-1694-y}, author = {Das, Rashmi and Balmik, Abhishek Ankur and Chinnathambi, Subashchandrabose} } @article {46794, title = {Phosphorous-doped graphitic material as a solid acid catalyst for microwave-assisted synthesis of beta-ketoenamines and baeyer-villiger oxidation}, journal = {ACS Omega}, volume = {5}, year = {2020}, month = {JUL }, pages = {15962-15972}, type = {Article}, abstract = {

Synthesis of phosphorous-doped graphitic materials (P-Gc) using phytic acid as a precursor was done in a microwave oven in a cost- and time-effective green way. The material was used as a solid acid catalyst for microwave (MW)-assisted synthesis of beta-ketoenamines and Baeyer-Villiger (By) oxidation. In the case of BV oxidation, hydrogen peroxide (H2O2) was used as a green oxidant. For beta-ketoenamines, in most cases, 100\% conversion with an similar to 95\% yield was achieved in ethyl acetate medium. In solvent-free conditions, the yield of beta-ketoenamines was similar to 75\%. A kinetic study suggested that the resonance stabilization of the positive reaction center happens in the transition state for beta-ketoenamine synthesis. In BV oxidation, cyclic ketones were converted to their corresponding cyclic esters in good to high yields (similar to 80\% yield) in a shorter reaction time (6-20 min). As per our knowledge, this is the first report of BV oxidation catalyzed by a heteroatom-doped graphitic material. For BV oxidation, the phosphoric acid functional groups present in P-Gc might increase the electrophilicity of the carbonyl group of the ketones to compensate for the weakness of H2O2 as a nucleophile and a spiro-bisperoxide intermediate has been identified in high-resolution mass spectrometry.

}, issn = {2470-1343}, doi = {10.1021/acsomega.0c01231}, author = {Maity, Sayantan and Ram, Farsa and Dhar, Basab Bijayi} } @article {46774, title = {Photodynamic exposure of Rose-Bengal inhibits Tau aggregation and modulates cytoskeletal network in neuronal cells}, journal = {Scientific Reports}, volume = {10}, year = {2020}, month = {JUL}, pages = {12380}, type = {Article}, abstract = {

The intracellular Tau aggregates are known to be associated with Alzheimer{\textquoteright}s disease. The inhibition of Tau aggregation is an important strategy for screening of therapeutic molecules in Alzheimer{\textquoteright}s disease. Several classes of dyes possess a unique property of photo-excitation, which is applied as a therapeutic measure against numerous neurological dysfunctions. Rose Bengal is a Xanthene dye, which has been widely used as a photosensitizer in photodynamic therapy. The aim of this work was to study the protective role of Rose Bengal against Tau aggregation and cytoskeleton modulations. The aggregation inhibition and disaggregation potency of Rose Bengal and photo-excited Rose Bengal were observed by in-vitro fluorescence, circular dichroism, and electron microscopy. Rose Bengal and photo-excited Rose Bengal induce minimal cytotoxicity in neuronal cells. In our studies, we observed that Rose Bengal and photo-excited Rose Bengal modulate the cytoskeleton network of actin and tubulin. The immunofluorescence studies showed the increased filopodia structures after photo-excited Rose Bengal treatment. Furthermore, Rose Bengal treatment increases the connections between the cells. Rose Bengal and photo-excited Rose Bengal treatment-induced actin-rich podosome-like structures associated with cell membranes. The in-vivo studies on UAS E-14 Tau mutant Drosophila suggested that exposure to Rose Bengal and photo-excited Rose Bengal efficiency rescues the behavioural and memory deficit in flies. Thus, the overall results suggest that Rose Bengal could have a therapeutic potency against Tau aggregation.

}, issn = {2045-2322}, doi = {10.1038/s41598-020-69403-2}, author = {Dubey, Tushar and Gorantla, Nalini Vijay and Chandrashekara, Kagepura Thammaiah and Chinnathambi, Subashchandrabose} } @article {46986, title = {Phytochemicals in cancer treatment: from preclinical studies to clinical practice}, journal = {Frontiers in Pharmacology}, volume = {10}, year = {2020}, month = {JAN}, pages = {1614}, type = {Review}, abstract = {

Cancer is a severe health problem that continues to be a leading cause of death worldwide. Increasing knowledge of the molecular mechanisms underlying cancer progression has led to the development of a vast number of anticancer drugs. However, the use of chemically synthesized drugs has not significantly improved the overall survival rate over the past few decades. As a result, new strategies and novel chemoprevention agents are needed to complement current cancer therapies to improve efficiency. Naturally occurring compounds from plants known as phytochemicals, serve as vital resources for novel drugs and are also sources for cancer therapy. Some typical examples include taxol analogs, vinca alkaloids such as vincristine, vinblastine, and podophyllotoxin analogs. These phytochemicals often act via regulating molecular pathways which are implicated in growth and progression of cancer. The specific mechanisms include increasing antioxidant status, carcinogen inactivation, inhibiting proliferation, induction of cell cycle arrest and apoptosis; and regulation of the immune system. The primary objective of this review is to describe what we know to date of the active compounds in the natural products, along with their pharmacologic action and molecular or specific targets. Recent trends and gaps in phytochemical based anticancer drug discovery are also explored. The authors wish to expand the phytochemical research area not only for their scientific soundness but also for their potential druggability. Hence, the emphasis is given to information about anticancer phytochemicals which are evaluated at preclinical and clinical level.

}, keywords = {Anticancer, clinical, medicinal plants, phytochemicals, preclinical}, issn = {1663-9812}, doi = {10.3389/fphar.2019.01614}, author = {Choudhari, Amit S. and Mandave, Pallavi C. and Deshpande, Manasi and Ranjekar, Prabhakar and Prakash, Om} } @article {46949, title = {Phytochemicals in cancer treatment: from preclinical studies to clinical practice (vol 10, 1614, 2020)}, journal = {Frontiers in Pharmacology}, volume = {11}, year = {2020}, month = {FEB }, pages = {175}, type = {Correction}, keywords = {Anticancer, clinical, medicinal plants, phytochemicals, preclinical}, issn = {1663-9812}, doi = {10.3389/fphar.2020.00175}, author = {Choudhari, Amit S. and Mandave, Pallavi C. and Deshpande, Manasi and Ranjekar, Prabhakar and Prakash, Om} } @article {46839, title = {Plant probiotic bacterial endophyte, alcaligenes faecalis, modulates plant growth and forskolin biosynthesis incoleus forskohlii}, journal = {Probiotics and Antimicrobial Proteins}, volume = {12}, year = {2020}, month = {JUN}, pages = {481-493}, type = {Article}, abstract = {

Coleus forskohliiis an herb, well-known for its medicinal compound forskolin present in its roots, with wide range of pharmaceutical applications. Here, we report, for the first time, the role of plant-probiotic bacterial endophytes ofC. forskohlii, CFLB1 and CFRB1, isolated from leaf and root, which regulate plant growth andin plantforskolin content. Native bacterial endophyte, CFRB1 (Alcaligenes faecalis), significantly modulates primary plant productivity and forskolin content under pot and field conditions. Under field conditions, CFRB1 endophyte application significantly enhanced photosynthetic pigments and reduced the severity of root-knot and root rot diseases. Expression analyses of functional genes involved in the forskolin biosynthesis inC. forskohliiplants treated with CFRB1 endophyte under field conditions revealed differential upregulation of fourC. forskohliiditerpene synthases (CfTPSs),CfTPS1,CfTPS2,CfTPS3andCfTPS4, along with cytochrome P450 (CfCYP76AH15) and acyltransferase (CfACT1-8) genes. CFRB1 treatment reduced the severity of nematode infection and root rot inC. forskohliiplants by 81 and 78\%, respectively. Overall, we demonstrate that cross-talk of plant-endophyte interaction inC. forskohliiis beneficial, leading to enhanced forskolin content through modulation of forskolin biosynthetic pathway genes along with increased plant yield and reduced disease incidence. Thus, endophytic isolate,A. faecalis(CFRB1), could be deployed as a novel bio-stimulant for enhancingin plantaforskolin content during cultivation ofC. forskohlii.

}, keywords = {Alcaligenes faecalis, CfACT1-8, CfCYP76AH15, CfTPSs, Coleus forskohlii, Forskolin, Plant-probiotic bacterial endophyte}, issn = {1867-1306}, doi = {10.1007/s12602-019-09582-1}, author = {Mastan, Anthati and Rane, Digeshwar and Dastager, Syed G. and Vivek Babu, Chikkarasanahalli Shivegowda} } @article {46666, title = {Polymer nanorings with uranium specific clefts for selective recovery of uranium from acidic effluents via reductive adsorption}, journal = {ACS Sensors}, volume = {5}, year = {2020}, month = {OCT}, pages = {3254-3263}, type = {Article}, abstract = {

Nanostructured polymeric materials, functionalized with an appropriate receptor, have opened up newer possibilities for designing a reagent that shows analyte-specific recognition and efficient scavenging of an analyte that has either a detrimental influence on human physiology and environment or on its recovery for further value addition. Higher active surface area, morphological diversity, synthetic tunability for desired surface functionalization, and the ease of regeneration of a nanostructured material for further use have provided such materials with a distinct edge over conventional reagents. The use of a biodegradable polymeric backbone has an added significance owing to the recent concern over the impact of polymers on the environment. Functionalization of biodegradable sodium alginate with AENA (6.85\% grafting) as the receptor functionality led to a unique open framework nanoring (NNRG) morphology with a favorable spatial orientation for specific recognition and efficient binding to uranyl ions (U) in an aqueous medium over a varied pH range. Nanoring morphology was confirmed by transmission electron microscopy and atomic force microscopy images. The nanoscale design maximizes the surface area for the molecular scavenger. A combination of all these features along with the reversible binding phenomenon has made NNRG a superior reagent for specific, efficient uptake of UO22+ species from an acidic (pH 3-4) solution and compares better than all existing UO22+-scavengers reported till date. This could be utilized for the recovery of uranyl species from a synthetic acidic effluent of the nuclear power. The results of the U uptake experiments reveal a maximum adsorption capacity of 268 mg of U per g of NNRG in a synthetic nuclear effluent. X-ray photoelectron spectroscopy studies revealed a reductive complexation process and stabilization of U(IV)-species in adsorbed uranium species (U@NNRG).

}, keywords = {biodegradable polymeric backbone, molecular recognition, nanostructured material, sodium alginate, uranium, uranyl-specific receptor}, issn = {2379-3694}, doi = {10.1021/acssensors.0c01684}, author = {Kushwaha, Shilpi and Mane, Manoj and Ravindranathan, Sapna and Das, Amitava} } @article {46840, title = {Porphyrin-based conducting polymer hydrogel for supercapacitor application}, journal = {Energy Technology}, volume = {8}, year = {2020}, month = {JUN}, pages = {2000061}, type = {Article}, abstract = {

Herein, the electrochemical properties and energy storage capability of a flexible, all-solid-state supercapacitor based on the supramolecular assembly of polypyrrole (PPy) and the anion of 5,10,15,20-tetrakis(4-sulfonatophenyl)-21H,23H-porphine manganese(III) chloride (MnTSPP) are reported. The electrode material consists of a conductive polymer hydrogel formed through the gelation initiated by cross-linking of the dopant MnTSPP anion in the PPy chains. The morphology of the cross-linked polymer hydrogel is that of a particle-decorated nanofiber, which can perform as a flexible supercapacitor electrode material with a specific capacitance of 300 Fg(-1) and capacitance retention of 78\% up to 10 000 cycles. The anion of MnTSPP plays a pivotal role in enhancing the charge storage capability by facilitating the electron transfer between the polymer interchains. In addition, the steric hindrance due to the large size of the dopant counter ions of MnTSPP reduces the counterion drain effect and structural pulverization of PPy, thereby improving the capacitive retention.

}, keywords = {conductive hydrogels, energy storage devices, Flexible Supercapacitors, nanofibers, porphyrin-based polymers}, issn = {2194-4288}, doi = {10.1002/ente.202000061}, author = {Das, Debasree and Kurungot, Sreekumar} } @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 {46773, title = {Residue-based propensity of aggregation in the Tau amyloidogenic hexapeptides AcPHF6*and AcPHF6}, journal = {RSC Advances}, volume = {10}, year = {2020}, month = {JUL}, pages = {27331-27335}, type = {Article}, abstract = {

In Alzheimer{\textquoteright}s disease and related tauopathies, the aggregation of microtubule-associated protein, Tau, into fibrils occursviathe interaction of two hexapeptide motifs PHF*(275)VQIINK(280)and PHF(306)VQIVYK(311)as beta-sheets. To understand the role of the constituent amino acids of PHF and PHF* in the aggregation, a set of 12 alanine mutant peptides was synthesized by replacing each amino acid in PHF and PHF* with alanine and they were characterized by nuclear magnetic resonance (NMR) spectroscopy, circular dichroism (CD), transmission electron microscopy (TEM) and ThS/ANS fluorescence assay. Our studies show that while the aggregation was suppressed in most of the alanine mutant peptides, replacement of glutamine by alanine in both PHF and PHF* enhanced the fibrillization.

}, doi = {10.1039/d0ra03809a}, author = {Dangi, Abha and Balmik, Abhishek Ankur and Ghorpade, Archana Kisan and Gorantla, Nalini Vijay and Sonawane, Shweta Kishor and Chinnathambi, Subashchandrabose and Marelli, Udaya Kiran} } @article {46777, title = {Role of B site ions in bifunctional oxygen electrocatalysis: a structure-property correlation study on doped Ca(2)Fe(2)O(5)brownmillerites}, journal = {Physical Chemistry Chemical Physics}, volume = {22}, year = {2020}, month = {JUL }, pages = {15520-15527}, type = {Article}, abstract = {

The role of B site doping with transition metals in brownmillerites, a perovskite related family of compounds, in bifunctional oxygen electrocatalysis,viz., simultaneous reduction and evolution reactions, is analysed. Ca2Fe1.9M0.1O5(M = Mn, Co, Ni, and Cu) is synthesised and structurally characterised by powder XRD and Rietveld refinement. Valence states of the surface B site ions are identified by X-ray photoelectron spectroscopy. Bifunctional oxygen electrochemistry is studied with the RDE and RRDE techniques and correlated with the structural and electronic parameters like oxygen non-stoichiometry and B site catalytic activity. Since the widely accepted electronic descriptors like e(g)filling may not be sufficient for explaining the bifunctional activity, B site electron donating capability as well as the extent of oxygen vacancies enhancing O(2)adsorption is also considered. Such structural parameters are also found to influence both the ORR and OER and based on this, Ni doping is proposed as advantageous for the bifunctional activity.

}, issn = {1463-9076}, doi = {10.1039/d0cp02391d}, author = {Thundiyil, Shibin and Vinod, C. P. and Kurungot, Sreekumar and Devi, R. Nandini} } @article {46916, title = {Role of dietary fatty acids in microglial polarization in Alzheimer{\textquoteright}s disease}, volume = {17}, year = {2020}, month = {MAR}, pages = {93}, type = {Review}, abstract = {

Microglial polarization is an utmost important phenomenon in Alzheimer{\textquoteright}s disease that influences the brain environment. Polarization depends upon the types of responses that cells undergo, and it is characterized by receptors present on the cell surface and the secreted cytokines to the most. The expression of receptors on the surface is majorly influenced by internal and external factors such as dietary lipids. Types of fatty acids consumed through diet influence the brain environment and glial cell phenotype and types of receptors on microglia. Reports suggest that dietary habits influence microglial polarization and the switching of microglial phenotype is very important in neurodegenerative diseases. Omega-3 fatty acids have more influence on the brain, and they are found to regulate the inflammatory stage of microglia by fine-tuning the number of receptors expressed on microglia cells. In Alzheimer{\textquoteright}s disease, one of the pathological proteins involved is Tau protein, and microtubule-associated protein upon abnormal phosphorylation detaches from the microtubule and forms insoluble aggregates. Aggregated proteins have a tendency to propagate within the neurons and also become one of the causes of neuroinflammation. We hypothesize that tuning microglia towards anti-inflammatory phenotype would reduce the propagation of Tau in Alzheimer{\textquoteright}s disease.

}, keywords = {Fatty acids, Microglial polarization, Omega-3 fatty acids, Tau inflammation, Tau phagocytosis, Tau spreading, Tauopathy}, doi = {10.1186/s12974-020-01742-3}, author = {Desale, Smita Eknath and Chinnathambi, Subashchandrabose} } @article {46664, title = {Scalable synthesis of manganese-doped hydrated vanadium oxide as a cathode material for aqueous zinc-metal battery}, journal = {ACS Applied Materials \& Interfaces}, volume = {12}, year = {2020}, month = {OCT }, pages = {48542-48552}, type = {Article}, abstract = {

Rechargeable aqueous zinc-metal batteries (ZMBs) are considered as potential energy storage devices for stationary applications. Despite the significant developments in recent years, the performance of ZMBs is still limited due to the lack of advanced cathode materials delivering high capacity and long cycle life. In this work, we report a low-temperature and scalable synthesis method following a surfactant-assisted route for preparing manganese-doped hydrated vanadium oxide (MnHVO-30) and its application as the cathode material for ZMB. The as-prepared material possesses a porous architecture and expanded interlayer spacing. Therefore, the MnHVO-30 cathode offers fast and reversible insertion of Zn2+ ions during the charge/discharge process and delivers 341 mAh g(-1) capacity at 0.1 A g(-1). Moreover, the MnHVO-30 parallel to Zn cell retains 82\% of its initial capacity over 1200 stability cycles, which is higher compared to that of the undoped system. Besides, a quasi-solid-state home-made pouch cell with an area of 3.3 x 1.6 cm(2) and 3.6 mg cm(-2) loading is assembled, achieving 115 mAh g(-1) capacity over 100 stability cycles. Therefore, this work provides an easy and attractive way for preparing efficient cathode materials for aqueous ZMBs.

}, keywords = {anionic surfactant, hydrated vanadium pentoxide, Nafion ionomer membrane, post-lithium battery, quasi-solid-state battery}, issn = {1944-8244}, doi = {10.1021/acsami.0c13221}, author = {Ghosh, Meena and Dilwale, Swati and Vijayakumar, Vidyanand and Kurungot, Sreekumar} } @article {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 {46882, title = {Shotgun metagenome guided exploration of anthropogenically driven resistomic hotspots within Lonar soda lake of India}, journal = {Ecotoxicology and Environmental Safety}, volume = {194}, year = {2020}, month = {MAY}, pages = {110443}, type = {Article}, abstract = {

Anthropogenic activities mediated antibiotic resistance genes (ARGs) in the pristine aquatic bodies (lakes) is raising concern worldwide. Long read shotgun sequencing was used to assess taxonomic diversity, distribution of ARGs and metal resistance genes (MRGs) and mobile genetic elements (MGEs) in six sites within hypersaline Lonar soda lake (India) prone to various anthropogenic activities. Proteobacteria and Euryarchaeota were dominant phyla under domain Bacteria and Archaea respectively. Higher abundance of Bacteroidetes was pragmatic at sites 18LN5 and 18LN6. Functional analysis indicated 26 broad-spectrum ARGs types, not reported earlier in this ecosystem. Abundant ARG types identified were multidrug efflux, glycopepetide, bacitracin, tetracycline and aminogylcoside resistance. Sites 18LN1 and 18LN5 depicted 167 and 160 different ARGs subtypes respectively and rpoB2, bcrA, tetA(48), mupA, ompR, patA, vanR and multidrug ABC transporter genes were present in all samples. The rpoB2 gene was dominant in 18LN1, whereas bcrA gene in 18LN2-18LN6 sites. Around 24 MRGs types were detected with higher abundance of arsenic in 18LN1 and copper in 18LN2-18LN6, signifying metal contamination linked to MRGs. The bacterial taxa Pseudomonas, Thioalkalivibrio, Burkholderia, Clostridium, Paenibacillus, Bacillus and Streptomyces were significantly associated with ARGs. This study highlights the resistomic hotspots in the lake for deploying policies for conservation efforts.

}, keywords = {ARGs, diversity, Lonar lake, MGEs, MRGs, Nanopore sequencing}, issn = {0147-6513}, doi = {10.1016/j.ecoenv.2020.110443}, author = {Chakraborty, Jaya and Sapkale, Vibhavari and Rajput, Vinay and Shah, Manan and Kamble, Sanjay and Dharne, Mahesh} } @article {46749, title = {Silk fibroin 3D microparticle scaffolds with bioactive ceramics: chemical, mechanical, and osteoregenerative characteristics}, journal = {Advanced Engineering Materials}, volume = {22}, year = {2020}, month = {DEC}, pages = {2000458}, type = {Article}, abstract = {

Preparation of 3D scaffolds for bone tissue engineering (BTE) is a challenging task as it requires appropriate pore size and porosities, mechanical properties, and controlled bioerosion rate. The focus of this work is the fabrication of silk fibroin (SF) 3D microparticle scaffolds with the incorporation of hydroxyapatite (HA) and calcium sulfate (CaS) as bioceramics. Physicochemical characterization shows approximate to 30\% filler loading and approximate to 40\% optimum porosity with \>100 mu m pore size for these filled/unfilled scaffolds. Nanoindentation studies show improved Young{\textquoteright}s modulus at microparticle level with the incorporation of bioceramics. SF-HA scaffolds showed three fold increase in Young{\textquoteright}s modulus, whereas SF-CaS showed two fold increase. In vitro bioerosion study results in early bioerosion with SF-CaS scaffold, whereas prolonged bioerosion with SF-HA scaffold. In vitro osteoregenerative potential is analyzed by estimating alkaline phosphatase (ALP), bone morphogenetic protein-2 (BMP-2), and osteocalcin (OCN). SF CaS supports early stage differentiation while SF 50\% HA predominantly supports late stage. The expression of TNF-alpha suggests a reduced risk of immune rejection. This work, therefore, concludes that although SF supports bone tissue regeneration, the choice of bioceramic enhances the applicability in various clinical scenarios by providing a controlled bioerosion rate, tunable speed of osteoregeneration, and improved load bearing capacities.

}, keywords = {bioceramics, bioerosion, osteogenic differentiation, Silk fibroin, stem cells}, issn = {1438-1656}, doi = {10.1002/adem.202000458, Early Access Date = AUG 2020}, author = {Parekh, Nimisha A. and Deshpande, V. Rucha and Shukla, Swati G. and Nisal, Anuya A.} } @article {47137, title = {Simultaneous identification and estimation of glycyrrhizin, glabridin, and 18β-glycyrrhetinic acid in de-glycyrrhized Ayurvedic lipid-based formulation of Glycyrrhiza glabra using dual wavelength reverse phase-high-performance liquid chromatography }, journal = {Separation Science Plus}, volume = {3}, year = {2020}, month = {AUG}, pages = {460-471}, abstract = {

Plant-based Ayurvedic formulations such as medicated oils, confectioneries, etc. are developed with a rationale of selecting specific compounds for targeted action and minimal side effects. It is imperative to develop an analytical method to simultaneously identify and quantify the targeted compounds for good resolution with low retention time. The present assay using reverse phase-high-performance liquid chromatography is optimized to resolve glycyrrhizin, glabridin, and 18β-glycyrrhetinic acid simultaneously at retention times of 6.6, 8.1, and 10.2\ min, respectively, using acidified mobile phase from Glycyrrhiza glabra utilized in Ayurvedic lipid (cow{\textquoteright}s ghee and sesame oil) based formulations. Raw material, its decoction, and residues formed during preparation steps were extracted in methanol while lipid formulations were extracted using a binary solvent system of methanol and n-hexane. The separation was performed on Hypersil gold column maintained at 40{\textdegree}C using 0.2\% ortho-phosphoric acid with pH 3.5 in water and acetonitrile as binary gradient mobile phase. The compounds were detected at wavelengths 230 (glabridin) and 254 (glycyrrhizin and 18β-glycyrrhetinic acid) nm. The method revealed de-glycyrrhized finished products containing glabridin and 18β-glycyrrhetinic acid having medicinal value.

}, doi = {10.1002/sscp.202000015}, author = {Kumbhalkar, Bhagyashri and Walunj, Tanhaji and Chavan, Sandeep and Gupta, Vidya and Deshmukh, Vineeta and Sardeshmukh, Sadanand} } @article {46701, title = {Site speci fic nitrogen incorporation in reduced graphene oxide using imidazole as a novel reducing agent for ef ficient oxygen reduction reaction and improved supercapacitive performance}, journal = {Carbon}, volume = {166}, year = {2020}, month = {SEP }, pages = {361-373}, type = {Article}, issn = {0008-6223}, doi = {10.1016/j.carbon.2020.05.011}, author = {Roy, Dipayan and Sarkar, Saikat and Bhattacharjee, Kaustav and Panigrahi, Karamjyoti and Das, Bikram Kumar and Sardar, Kausik and Sarkar, Sourav and Chattopadhyay, Kalyan Kumar} } @article {46897, title = {Solid catalysts for conversion of furfural and its derivatives to alkanediols}, journal = {Catalysis Reviews-Science and Engineering}, volume = {62}, year = {2020}, month = {OCT }, pages = {566-606}, type = {Review}, abstract = {

Alkanediols with five and six carbon atoms (1,2- \& 1,5-pentanediols and 1,2- \& 1,6-hexanediols, respectively) are an important class of industrial chemicals having wide application. Their production from lignocellulosic biomass-derived furfural and its derivatives using solid catalysts is a sustainable and attractive approach. Several bifunctional catalysts with metal (for hydrogenation/hydrogenolysis) and acid/base (for ring opening) functionalities have been reported. Effective and selective conversion of furfurals to a desired diol is still a challenge. This review discusses the recent advances in catalyst development for pentane- and hexanediols. The reaction pathways, active sites, and possible reaction mechanisms over the solid catalysts are discussed. A comparative catalytic activity data of the known catalysts are reported.

}, keywords = {5-hydroxymethylfurfural (HMF), Alkanediol, furfural (FAL), hexanediol, pentanediol, solid catalyst}, issn = {0161-4940}, doi = {10.1080/01614940.2020.1744327, Early Access Date = APR 2020}, author = {Enjamuri, Nagasuresh and Darbha, Srinivas} } @article {46969, title = {Stress-induced electronic structure modulation of manganese-incorporated Ni2P leading to enhanced activity for water splitting}, journal = {ACS Applied Energy Materials}, volume = {3}, year = {2020}, month = {FEB}, pages = {1271-1278}, type = {Article}, abstract = {

The cornerstone of the emerging hydrogen economy is hydrogen production by water electrolysis with concomitant oxygen generation. Incorporating a third element in metal phosphides can tune the crystalline and electronic structure, hence improving the electrocatalytic properties. In this work, Mn-doped Ni2P with varying ratios of Mn and Ni has been explored as excellent catalysts for water splitting. A complete cell made of the best catalyst Ni1.5Mn0.5P electrodes showed low voltage of 1.75 V at a current density of 10 mA cm(-2) due to enhanced electrical conductivity, induction of tensile stress, enhanced electrochemical surface area, and increased electric dipole upon Mn incorporation.

}, keywords = {Electronic Structure, hydrogen evolution reaction, Oxygen Evolution Reaction, phosphides, water splitting}, issn = {2574-0962}, doi = {10.1021/acsaem.9b02097}, author = {Sarkar, Shreya and Dheer, Lakshay and Vinod, C. P. and Thapa, Ranjit and Waghmare, V. Umesh and Peter, Sebastian C.} } @article {46712, title = {Structural and electrical characterization studies for ternary composite of polypyrrole}, journal = {Journal of Materials Science-Materials in Electronics}, volume = {31}, year = {2020}, month = {NOV}, pages = {18400-18411}, type = {Article}, abstract = {

In this work, temperature dependence of alternate current (AC) and direct current (DC) conductivities of optimized polypyrrole/silver-tantalum oxide (PPy/Ag-Ta2O5), a ternary conducting polymer composite is comparatively studied with those of PPy and PPy/Ag. For the purpose, silver (Ag) nanoparticles were encapsulated with polypyrrole (PPy) by in situ oxidative polymerization to form core-shell structured PPy/Ag composite for which Ag nanoparticles were extracted from green tea. The PPy/Ag composite was then mechanically mixed with tantalum pentoxide (Ta2O5) to form PPy/Ag-Ta(2)O(5)ternary composite. Increase in depth of delocalization band of PPy in ternary composite as compared to those of PPy/Ag composite and PPy, indicating its increased AC conductivity confirmed from the comparative FTIR analyses. Interaction between PPy/Ag composite and Ta(2)O(5)in the ternary composite was confirmed from XRD studies. The formation of core-shell structured PPy/Ag composite and Ta(2)O(5)particles embedded in such PPy/Ag composite to form PPy/Ag-Ta(2)O(5)ternary composite confirmed from TEM and Raman studies. The frequency- and temperature-dependent electrical conductivity studies revealed increase in AC conductivity of the ternary composite as compared to those of PPy/Ag composite and pure PPy attributed mainly to interfacial effects. The charge transport in these samples predicted to be due to correlated barrier hopping of charges was confirmed by calculating their respective AC and DC activation energies.

}, issn = {0957-4522}, doi = {10.1007/s10854-020-04386-4, Early Access Date = SEP 2020}, author = {Megha, R. and Ravikiran, Y. T. and Kumari, S. C. Vijaya and Prakash, H. G. Raj and Revanasiddappa, M. and Manjunatha, S. and Dastager, Syed G. and Thomas, S.} } @article {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 {46647, title = {Synthesis, characterization and catalytic study of mesoporous carbon materials prepared via mesoporous silica using non-surfactant templating agents}, journal = {Journal of Porous Materials}, year = {2020}, month = {NOV}, type = {Article; Early Access}, abstract = {

Mesostructured silica materials with surface area in the range of similar to 700-900 m(2)/g have been prepared using hydroxy-carboxylic acid compounds such as tartaric acid, malic acid and citric acid (low cost non-surfactant template/pore forming agents) and tetraethylorthosilicate (TEOS) as silica source by sol-gel reaction. The templates were removed by either soxhlet extraction or calcination method. Mesoporous carbon molecular sieves were then prepared by carbonizing sucrose inside the pores of the above prepared mesoporous silica using sulfuric acid as a catalyst. The materials were characterized by FTIR spectroscopy, powder X-ray diffraction (XRD), N-2-sorption studies, microanalysis, thermal analysis and transmission electron microscopy (TEM). The resulting carbon material shows relatively higher surface area (similar to 1100 m(2)/g), narrow pore size distribution and pore diameter of 4-5 nm. The mesoporosity of carbon material arises from interconnecting channels arrangements of mesoporous silica template. The mesoporous carbon material was used as a support for the immobilization of rhodium complex [HRhCO(TPPTS)(3)] by ossification method. The prepared catalyst has been tested for the hydroformylation of higher olefins. The activity of the catalyst was improved by 20-30\% as compared to the catalyst prepared from a conventional activated carbon support.

}, keywords = {Carbonization, Hydroformylation, Immobilization, Low cost templates, mesoporous carbon, Mesoporous silica}, issn = {1380-2224}, doi = {10.1007/s10934-020-01003-x}, author = {Pagar, Nitin S. and Karandikar, Prashant R. and Chandwadkar, Asha J. and Deshpande, Raj M.} } @article {46826, title = {Synthesis of novel of 2, 5-disubstituted 1, 3, 4-oxadiazole derivatives and their in vitro anti-inflammatory, anti-oxidant evaluation, and molecular docking study}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {30}, year = {2020}, month = {JUN}, pages = {127136}, type = {Article}, abstract = {

A series of novel 2, 5-disubstituted 1, 3, 4-Oxadiazole derivatives as a potential anti-inflammatory, and antioxidant agent were synthesized via cyclisation. Hydrazide molecule treated with substituted acids in the presence of phosphorus oxychloride (POCl3) as an efficient reagent as well as solvent by conventional method with shorter reaction time and excellent yield. The newly synthesized 1, 3, 4-oxadiazole derivatives exhibited excellent to good anti-inflammatory and anti-oxidant activities compaired to the standard drugs. Molecular docking study on the crucial anti-inflammatory target-cyclooxygenase-2 (COX-2) revealed the ability of the scaffold to correctly recognize the active site and achieve significant bonded and non-bonded interactions with key residues therein. This study could identify potential compounds which can be pertinent starting points for structure-based drug design to obtain newer anti-inflammatory agents.

}, keywords = {1, 3, 4-Oxadiazole, Anti-inflammatory, Anti-Oxidant, Biological activity, computational chemistry}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2020.127136}, author = {Kashid, Bharat B. and Salunkhe, Pravin H. and Dongare, Balasaheb B. and More, Kishor R. and Khedkar, Vijay M. and Ghanwat, Anil A.} } @article {46873, title = {Synthesis of phospho-polypeptides via phosphate-containing N-carboxyanhydride: application in enzyme-induced self-assembly, and calcium carbonate mineralization}, journal = {ChemPlusChem}, volume = {85}, year = {2020}, month = {MAY}, pages = {1053-1064}, type = {Article}, abstract = {

An easy synthetic strategy was developed to synthesize the phosphate-functionalized amino acid N-carboxyanhydride (NCA), using simple primary amine initiators to obtain homo and block phospho-polypeptides with controlled molecular weight and molecular weight distribution. The methodology was extended to the synthesis of the end-functionalized homo polypeptides (15 to 50 repeat unit) and block co-polypeptides with PEG (0.7 K, 2 K, and 5 K) and glycopolypeptide (15-unit mannose glycopolypeptide) as one of the blocks. The deprotected fully water-soluble anionic phosphate-based polypeptides showed pH-dependent helical conformation with a helical content of 20 \%, which further changed to beta-sheets upon addition of the enzyme alkaline phosphatase (ALP) due to dephosphorylation. The block co-polypeptide containing PEG as one of the blocks led to its self-assembly into colloidal structures, such as vesicles with a hydrodynamic diameter of similar to 250 nm, due to the formation of amphiphilic block co-polymer upon dephosphorylation. The nature of the colloidal structures formed can be temporally controlled by the extent of dephosphorylation. Finally, the phospho-polypeptides serve as a template for the mineralization of calcium carbonate with varying polymorphs and morphologies.

}, keywords = {Biomineralization, enzymes, phosphopolypeptides, Proteins, Self-assembly}, issn = {2192-6506}, doi = {10.1002/cplu.202000322}, author = {Mondal, Basudeb and Das, Soumen and Panda, Sidharth and Dutta, Tahiti and Sen Gupta, Sayam} } @article {46956, title = {Tale of biphenyl and terphenyl substituents for structurally diverse ketiminato magnesium, calcium and germanium complexes}, journal = {Chemistry-An Asian Journal}, volume = {15}, year = {2020}, month = {MAR}, pages = {820-827}, type = {Article}, abstract = {

In this paper, we have used two N,O-ketiminato ligands (L1 and L2) with biphenyl and terphenyl substituent on the nitrogen atom. Deprotonation of L1 with KN(SiMe3)(2) and subsequent reaction with MgI2 led to a homoleptic dinuclear magnesium complex (1) with a Mg2O2 four-membered ring. Deprotonation with nBuLi and subsequent reaction with MgI2 afforded a unusual dinuclear magnesium complex (2) with a Mg2O2 ring. Extension of the ligand for calcium resulted in a trinuclear calcium complex (3) with six four-membered Ca2O2 rings. We could not isolate any chelating complex when L2 was used as a ligand, and only oxygen bound magnesium (4) and calcium (5) adducts were isolated. DFT studies were performed to understand this dissimilar behavior. More diverse results were obtained when lithiated L1 and L2 were treated with germanium dichloride. We were able to stabilize a monomeric germylene monochloride (7) with L1. However, with L2, an unusual ligand scrambling, and a C-C coupling take place, leading to the formation of a secondary carbocation with GeCl3- as a counter-anion (8). Besides, a germanium dichloride adduct (9) bound to the oxygen center of the ligand was obtained as the minor product.

}, keywords = {calcium, Germylene, ligand, Magnesium, X-ray Structure}, issn = {1861-4728}, doi = {10.1002/asia.201901801, Early Access Date = FEB 2020}, author = {Kumar, Rohit and Yadav, Sandeep and Gour, Kritika and Sangtani, Ekta and Ranjan Dash, Soumya and Raja, Abhishekram and Vanka, Kumar and Gonnade, Rajesh G. and Sen, Sakya S.} } @article {46631, title = {Total synthesis and absolute configuration determination of Ktedonoketone, a benzenoid metabolite from Thermophilic bacterium}, journal = {Tetrahedron Letters}, volume = {61}, year = {2020}, month = {NOV }, pages = {152526}, type = {Article}, abstract = {

The successful total synthesis of both enantiomers of ktedonoketone allowed us to decipher an unambiguous assignment of absolute configuration of the natural product. The concise synthesis highlights Wacker oxidation and aldol condensation as key steps. In addition to this, the current synthetic route is suitable to access a library of compounds on the similar skeleton as one can use readily available amino acids and Grignard reagents as variants. (C) 2020 Elsevier Ltd. All rights reserved.

}, keywords = {Absolute configuration, Ktedonoketone, Total synthesis, Wacker oxidation}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2020.152526}, author = {Dandawate, Monica and Choudhury, Rahul and Krishna, Gamidi Rama and Reddy, D. Srinivasa} } @article {46795, title = {Total synthesis of (-)-2-methoxy-2-butenolide-3-cinnamate and its antimicrobial potentials}, journal = {Natural Product Research}, year = {2020}, month = {JUL}, type = {Article; Early Access 2020}, abstract = {

The first total synthesis of (-)-2-methoxy-2-butenolide-3-cinnamate (butenolide cinnamate) was achieved using commercially available starting material. The synthesized compound was found to have promising antibacterial activity against Gram-negative strainsEscherichia coli(ATCC 8739),Salmonella typhimurium(ATCC 23564) andPseudomonas aeruginosa(ATCC 19154) with a minimum inhibitory concentration of 2.0 mu g/mL, 1.0 mu g/mL and 2.0 mu g/mL, respectively. Notably, the compound was more potent against Gram-negative test strains than the Gram-positive test strains.

}, keywords = {antibacterial activity, butenolide cinnamate, Total synthesis}, issn = {1478-6419}, doi = {10.1080/14786419.2020.1789979, Early Access Date = JUL 2020}, author = {Said, Madhukar S. and Udavant, Rohini and Sahu, Amit Kumar and Khan, Abujunaid and Nayak, Rashmi and Dastager, Syed G. and Kumar, Pradeep and Gajbhiye, Jayant} } @article {46650, title = {Total synthesis of beshanzuenone D and its epimers and abiespiroside A}, journal = {Organic Letters}, volume = {22}, year = {2020}, month = {NOV }, pages = {8561-8565}, type = {Article}, abstract = {

A unified and protecting-group-free six-step total synthesis of bisabolane-type sesquiterpenoid beshanzuenone D and its stereoisomers and abiespiroside A using S-(+)-carvone as a common chiral-pool building block is disclosed. This synthetic route features chemoselective allylic chlorination of carvone, Au(I)-catalyzed cydoisomerization induced construction of furan from homopropargylic diol, substrate-controlled selective hydroxylation using Davis-oxaziridine, and dye-sensitized photo-oxidation (through O-1(2)) of hydroxyalkyl tethered furan to access oxaspirolactone as key transformations. A comprehensive set of NMR data along with DFT calculations, ECD spectra, and optical rotation measurements of the synthesized beshanzuenone D and its epimers were obtained to confirm absolute configurations.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.0c03157}, author = {Borade, Balasaheb R. and Dixit, Ruchi and Kontham, Ravindar} } @article {46860, title = {Transient alpha-helix in the N-terminal RNA recognition motif of polypyrimidine tract binding protein senses RNA secondary structure}, journal = {Nucleic Acids Research}, volume = {48}, year = {2020}, month = {MAY}, pages = {4521-4537}, type = {Article}, abstract = {

The polypyrimidine tract binding protein (PTB) is a multi-domain protein involved in alternative splicing, mRNA localization, stabilization, polyadenylation and translation initiation from internal ribosome entry sites (IRES). In this latter process, PTB promotes viral translation by interacting extensively with complex structured regions in the 5{\textquoteright}-untranslated regions of viral RNAs at pyrimidine-rich targets located in single strand and hairpin regions. To better understand how PTB recognizes structured elements in RNA targets, we solved the solution structure of the N-terminal RNA recognition motif (RRM) in complex with an RNA hairpin embedding the loop sequence UCUUU, which is frequently found in IRESs of the picornovirus family. Surprisingly, a new three-turn alpha 3 helix C-terminal to the RRM, folds upon binding the RNA hairpin. Although alpha 3 does not mediate any contacts to the RNA, it acts as a sensor of RNA secondary structure, suggesting a role for RRM1 in detecting pyrimidine tracts in the context of structured RNA. Moreover, the degree of helix formation depends on the RNA loop sequence. Finally, we show that the alpha 3 helix region, which is highly conserved in vertebrates, is crucial for PTB function in enhancing Encephalomyocarditis virus IRES activity.

}, issn = {0305-1048}, doi = {10.1093/nar/gkaa155}, author = {Maris, Christophe and Jayne, Sandrine and Damberger, Fred F. and Beusch, Irene and Dorn, Georg and Ravindranathan, Sapna and Allain, Frederic H-T} } @article {46759, title = {Transition metal nickel prevents Tau aggregation in Alzheimer{\textquoteright}s disease}, journal = {International Journal of Biological Macromolecules}, volume = {156}, year = {2020}, month = {AUG }, pages = {1359-1365}, type = {Article}, abstract = {

Alzheimer{\textquoteright}s disease is the leading cause of dementia, effecting majority of aged people worldwide. The multifaceted effectors of Alzheimer{\textquoteright}s disease primarily include Tau, amyloid-beta along with hyper activation of kinases, oxidative stress and mutations etc., makes it challenging to design therapeutics. Tau is a microtubule-associating protein, which is subjected to cellular stress resulting in the formation of neurofibrillary tangles, leading to loss of affinity for microtubules. This causes loss of microtubule stability and in turn alters axonal integrity. In the present work, emphasis towards understanding interaction of nickel with Tau was made. Metals such as iron, zinc, copper and lead etc., are known to modulate Tau conformation and enhance its aggregation. Our results showed the deliverance of Tau aggregation by nickel and its synthetic morpholine conjugate. Nickel prevents aggregation by inducing degradation of Tau as evidenced by SDS-PAGE and TEM. Nickel and the synthetic conjugate being non toxic to neuro2a cells and prevent Tau aggregation, might direct these complexes to overcome AD. (C) 2019 Published by Elsevier B.V.

}, keywords = {Aggregation, Alzheimer{\textquoteright}s disease, metals, Morpholine, Nickel chloride, Tau}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2019.11.176}, author = {Gorantla, Nalini Vijay and Das, Rashmi and Balaraman, Ekambaram and Chinnathambi, Subashchandrabose} } @article {46910, title = {Transmetallation vs adduct: diverse reactivity of N,O-ketiminato germylene with [Cp*MCl2](2) (M = Rh or Ir; Cp* = eta(5)-C5Me5) and MCl5 (M = Nb and Ta)}, journal = {Journal of Organometallic Chemistry}, volume = {911}, year = {2020}, month = {APR }, pages = {121142}, type = {Article}, abstract = {

The reactions of the germylenes, [(Dipp)NCMeCHCORGeCl] (1a: R = Me, 1b: R = Ph) with [Ir2Cl2(mu-Cl)(2)(eta(5)-Cp*)(2)] led to the formation of the adducts [(Dipp)NCMeCHCORGeClIrCl2Cp*] (3a: R = Me and 3b: R = Ph). On the other hand, [Rh2Cl2(mu-Cl)(2)(eta(5)-Cp*)(2)] does not react with the germylenes (1a and 1b). When the reactions of 1a and 1b are carried out with [Cp*TaCl4], the reaction led to decomposition. The reaction of 1a or 1b with TaCl5 yielded the transmetallated products [(Dipp)NCMeCHCORTaCl4] (4a: R = Me, 4b: R = Ph) with the extrusion of GeCl2. Our theoretical studies show that for, the insertion of TaCl5 to 1a and the formation of 4a with concomitant elimination of GeCl2 is energetically favourable. Extrusion of SnCl2 is also observed when the corresponding stannylene, [(Dipp)NCMeCHCOMeSnCl] was reacted with TaCl5. All these compounds have been characterized by H-1 and C-13 NMR spectroscopy, elemental analysis and the constitution of compounds 1b, 3b, and 4a were confirmed by single-crystal X-ray crystallography. (C) 2020 Elsevier B.V. All rights reserved.

}, keywords = {Adduct formation, Germylenes, Iridium, Ketoiminate, Tantalum, Transmetallation}, issn = {0022-328X}, doi = {10.1016/j.jorganchem.2020.121142}, author = {Raghavendra, Beesam and Bakthavachalam, K. and Das, Tamal and Roisnel, Thierry and Sen, Sakya S. and Vanka, Kumar and Ghosh, Sundargopal} } @article {46982, title = {Tris-heteroleptic ruthenium(II) polypyridyl complexes: Synthesis, structural characterization, photophysical, electrochemistry and biological properties}, journal = {Journal of Inorganic Biochemistry}, volume = {203}, year = {2020}, month = {FEB}, pages = {110903}, type = {Article}, abstract = {

{Three water-soluble tris-heteroleptic ruthenium(II) polypyridyl complexes [Ru(bpy)(phen)(bpg)](2+) (1), [Ru (bpy)(dppz)(bpg)]2+ (2), and [Ru(phen)(dppz)(bpg)]2+ (3) (where bpy = 2,2{\textquoteright}-bipyridine

}, keywords = {Circular dichroism, Cytotoxicity, fluorescence, Polypyridyl, ruthenium}, issn = {0162-0134}, doi = {10.1016/j.jinorgbio.2019.110903}, author = {Bhat, Satish S. and Kumbhar, Avinash S. and Purandare, Neeraja and Khan, Ayesha and Grampp, Gunter and Loennecke, Peter and Hey-Hawkins, Evamarie and Dixit, Ruchi and Vanka, Kumar} } @article {46708, title = {Triton X-114 fractionated subcellular proteome ofleptospira interrogansshows selective enrichment of pathogenic and outer membrane proteins in the detergent fraction}, journal = {Proteomics}, volume = {20}, year = {2020}, month = {OCT}, pages = {2000170}, type = {Article}, abstract = {

The Triton X-114-based solubilization and temperature-dependent phase separation of proteins is used for subcellular fractionation where, aqueous, detergent, and pellet fractions represents cytoplasmic, outer membrane (OM), and inner membrane proteins, respectively. Mass spectrometry-based proteomic analysis of Triton X-114 fractions of proteomic analysis ofLeptospira interrogansidentified 2957 unique proteins distributed across the fractions. The results are compared with bioinformatics predictions on their subcellular localization and pathogenic nature. Analysis of the distribution of proteins across the Triton X-114 fractions with the predicted characteristics is performed based on {\textquoteleft}{\textquoteleft}number{\textquoteright}{\textquoteright} of unique type of proteins, and {\textquoteleft}{\textquoteleft}quantity{\textquoteright}{\textquoteright} which represents the amount of unique protein. The highest number of predicted outer membrane proteins (OMPs) and pathogenic proteins are found in aqueous and pellet fractions, whereas detergent fraction representing the OM has the highest quantity of OMPs and pathogenic proteins though lower in number than the aqueous and pellet fractions. This leaves the possibility of an upsurge in pathogenic proteins and OMPs on the OM under pathogenic conditions suggesting their potential use to combat leptospirosis. Further, the Triton X-114 subcellular fractions are more correlated to enrichment of pathogenic proteins predicted by MP3 software than predicted localization.

}, keywords = {intensity-based absolute quantification, Leptospira, outer membrane protein, subcellular localization, Triton X-114}, issn = {1615-9853}, doi = {10.1002/pmic.202000170, Early Access Date = SEP 2020}, author = {Thoduvayil, Sikha and Dhandapani, Gunasekaran and Brahma, Rahul and Devasahayam Arokia Balaya, Rex and Mangalaparthi, Kiran K. and Patel, Krishna and Kumar, Manish and Tennyson, Jebasingh and Satheeshkumar, P. K. and Kulkarni, Mahesh J. and Pinto, Sneha M. and Prasad, T. S. Keshava and Madanan, Madathiparambil G.} } @article {46791, title = {Uncovering the origin of enhanced field emission properties of rGO-MnO(2)heterostructures: a synergistic experimental and computational investigation}, journal = {RSC Advances}, volume = {10}, year = {2020}, month = {JUL }, pages = {25988-25998}, type = {Article}, abstract = {

The unique structural merits of heterostructured nanomaterials including the electronic interaction, interfacial bonding and synergistic effects make them attractive for fabricating highly efficient optoelectronic devices. Herein, we report the synthesis of MnO(2)nanorods and a rGO/MnO(2)nano-heterostructure using low-cost hydrothermal and modified Hummers{\textquoteright} methods, respectively. Detailed characterization and confirmation of the structural and morphological properties are doneviaX-ray Diffraction (XRD), Field Emission Scanning Electron Microscopy (FESEM) and Transmission Electron Microscopy (TEM). Compared to the isolated MnO(2)nanorods, the rGO/MnO(2)nano-heterostructure exhibits impressive field emission (FE) performance in terms of the low turn-on field of 1.4 V mu m(-1)for an emission current density of 10 mu A cm(-2)and a high current density of 600 mu A cm(-2)at a relatively very low applied electric field of 3.1 V mu m(-1). The isolated MnO(2)nanorods display a high turn-on field of 7.1 for an emission current density of 10 mu A cm(-2)and a low current density of 221 mu A cm(-2)at an applied field of 8.1 V mu m(-1). Besides the superior FE characteristics of the rGO/MnO(2)nano-heterostructure, the emission current remains quite stable over the continuous 2 h period of measurement. The improvement of the FE characteristics of the rGO/MnO(2)nano-heterostructure can be ascribed to the nanometric features and the lower work function (6.01 and 6.12 eV for the rGO with 8\% and 16\% oxygen content) compared to the isolated alpha-MnO2(100) surface (phi= 7.22 eV) as predicted from complementary first-principles electronic structure calculations based on density functional theory (DFT) methods. These results suggest that an appropriate coupling of rGO with MnO(2)nanorods would have a synergistic effect of lowering the electronic work function, resulting in a beneficial tuning of the FE characteristics.

}, doi = {10.1039/d0ra03360j}, author = {Rondiya, Sachin R. and Karbhal, Indrapal and Jadhav, Chandradip D. and Nasane, Mamta P. and Davies, Thomas E. and Shelke, V. Manjusha and Jadkar, Sandesh R. and Chavan, Padmakar G. and Dzade, Nelson Y.} } @article {46920, title = {Understanding alloy structure and composition in sinter-resistant AgPd@SiO2 encapsulated catalysts and their effect on catalytic properties (vol 41, pg 14652, 2017)}, journal = {New Journal of Chemistry}, volume = {44}, year = {2020}, month = {MAR }, pages = {4664}, type = {Correction}, issn = {1144-0546}, doi = {10.1039/d0nj90031a}, author = {Mondal, Sourik and Rajesh, Thattarathody and Dhar, Basab B. and Snellman, Markus and Li, Junjie and Deepak, Francis Leonard and Devi, R. Nandini} } @article {46306, title = {Understanding the influence of alumina supported ruthenium catalysts synthesis and reaction parameters on the hydrodeoxygenation of lignin derived monomers}, journal = {Molecular Catalysis}, volume = {480}, year = {2020}, month = {JAN}, pages = {UNSP 110525}, type = {Article}, abstract = {

Up-gradation of lignin derived monomers to value-added and fuel grade products is important to make overall bio-refinery process economical. Although, few studies are devoted on this work yet, systematic study on commercially viable (low loading of metal, recyclable catalyst, mild conditions, high selectivities etc.) is scarce and typically done under harsh conditions. Herein, we report, the methodical effect of support (SiO2, Al2O3 (acidic, basic and neutral), SiO2-Al2O3) on the hydrodeoxygenation (HDO) of lignin derived various monomers, guaiacol, veretrol, eugenol, phenol using very low loading (0.5 wt\%) Ru catalyst. Very high yield (82\%) of cyclohexanol from guaiacol could be achieved in presence of cyclohexane as a solvent and Ru/Al2O3-Acidic catalyst at 225 degrees C and under 1 MPa H-2 pressure. The detailed study on the effect of solvent, stability and adsorption of reactant \& products etc. is done and it was observed that products are more prone to adsorb and undergo further reactions. The complete characterization of fresh and spent catalysts revealed that lower catalyst reduction temperature and presence of Ru in partially higher oxidation state proved by XPS, helps in enhancing the cyclohexanol formation. Subsequently, role of Ru particle size and support on the activity was also investigated.

}, keywords = {Cyclohexanol, Hydrodeoxygenation, lignin, reaction pathway, supported metal catalyst}, issn = {2468-8231}, doi = {10.1016/j.mcat.2019.110525}, author = {Singh, Dheerendra and Dhepe, Paresh L.} } @article {46601, title = {Understanding unfolding and refolding of the antibody fragment (Fab). I. In-vitro study}, journal = {Biochemical Engineering Journal}, volume = {164}, year = {2020}, month = {DEC}, pages = {107764}, type = {Article}, abstract = {

In-vitro protein refolding is a major rate-limiting step in the large scale production of antibody fragments expressed using a microbial source like E. coli. This investigation is focused on understanding the in-vitro unfolding and refolding of the multi-domain protein involving inter-domain disulfide linkage, like antibody fragment (Fab). Solubilization behavior of the inclusion bodies and unfolding events of Fab fragment (Biosimilar rHu Ranibizumab) were studied using nano-differential scanning fluorimetry (nano-DSF). Fab unfolding behavior was studied by fitting experimental data with the two-state and three-state thermodynamic model. Based on the Fab unfolding understanding, a two-stage design of experiment (DoE) strategy was used for the optimization of the in-vitro refolding condition of a Fab fragment. Refolding yield of 56.03 +/- 1.15 \% was achieved using the optimized oxidative refolding conditions maintained by appropriate dilution factor and redox reagent ratio. Refolding kinetics of the rHu Ranibizumab was analyzed using a three-parameter kinetic model showing rate constant k(1) :7.05e(-6) l/mg.min, k(2) :0.57 l/mg.min, and k(3) :310.19 l/mg.min. Based on observed refolding kinetics, it was concluded that the Fab refolding follows a three-state mechanism with the refolding intermediate/(s) formation from light and heavy chain of the Fab fragment as an overall rate-limiting step. The method described here is a useful tool to identify high-yield scalable refolding conditions for multi-domain proteins involving inter-domain disulfide bonds.

}, keywords = {Antibody fragment, In-vitro refolding, Refolding kinetics, rHu Ranibizumab, Two-state and Three-state models}, issn = {1369-703X}, doi = {10.1016/j.bej.2020.107764}, author = {Gani, Kayanat and Bhambure, Rahul and Deulgaonkar, Prashant and Mehta, Deepa and Kamble, Manoj} } @article {47011, title = {Unprecedented isomerism-activity relation in molecular electrocatalysis}, journal = {Journal of Physical Chemistry Letters}, volume = {11}, year = {2020}, month = {JAN }, pages = {263-271}, type = {Article}, abstract = {

The role of electrocatalysts in energy storage/conversion, biomedical and environmental sectors, green chemistry, and much more has generated enormous interest in comprehending their structure-activity relations. While targeting the surface-to-volume ratio, exposing reactive crystal planes and interfacial modifications are time-tested considerations for activating metallic catalysts; it is primarily by substitution in molecular electrocatalysts. This account draws the distinction between a substituent{\textquoteright}s chemical identity and isomerism, when regioisomerism of the -NO2 substituent is conferred at the {\textquoteleft}{\textquoteleft}alpha{\textquoteright}{\textquoteright} and {\textquoteleft}{\textquoteleft}beta{\textquoteright}{\textquoteright} positions on the macrocycle of cobalt phthalocyanines. Spectroscopic analysis and theoretical calculations establish that the beta isomer accumulates catalytically active intermediates via a cumulative influence of inductive and resonance effects. However, the field effect in the alpha isomer restricts this activation due to a vanishing resonance effect. The demonstration of the distinct role of isomerism in substituted molecular electrocatalysts for reactions ranging from energy conversion to biosensing highlights that isomerism of the substituents makes an independent contribution to electrocatalysis over its chemical identity.

}, issn = {1948-7185}, doi = {10.1021/acs.jpclett.9b02689}, author = {Kottaichamy, Alagar Raja and Begum, Shabbah and Nazrulla, Mohammed Azeezulla and Dargily, Neethu Christudas and Devendrachari, Mruthyunjayachari Chattanahalli and Bhat, Zahid Manzoor and Thimmappa, Ravikumar and Kotresh, Harish Makri Nimbegondi and Vinod, Chathakudath Prabhakaran and Thotiyl, Musthafa Ottakam} } @article {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 {46978, title = {Variations in activity of Ru/TiO(2 )and Ru/Al2O3 catalysts for CO2 hydrogenation: an investigation by in-situ infrared spectroscopy studies}, journal = {Molecular Catalysis}, volume = {482}, year = {2020}, month = {FEB}, pages = {110700}, type = {Article}, abstract = {

CO2 hydrogenation to methane, an important reaction strategically and also for value adding to CO2, is investigated on two different catalysts, Ru supported on alumina as well as titania to understand better low temperature activity of Ru/TiO2 catalyst. In-situ infrared studies are carried out in three different steps, viz., (i) CO2 adsorption on fully reduced catalyst (ii) reaction of these adsorbed species with gaseous H-2 and (iii) under co-feed of CO2 and H-2, at different temperatures. On Ru/Al2O3 catalyst, CO2 reacts with hydroxyls on the support surface to form carbonate and adsorbs reductively on metal as CO. Further reduction to formate and methyl species occurs on reaction with H. Small concentration of the reactive intermediate formyl forms only at high temperatures. Whereas, bare TiO2 itself seems capable of reductive adsorption of CO2 as formate indicating enhanced reducibility of titania based catalyst. Formyl groups are observed at low temperatures in Ru/TiO2 in step (ii), which further forms methyl and gaseous methane at much lower temperatures when compared to alumina catalyst. Highly reactive CO species loosely bound to metal-support interface observed at high temperatures, which is not present on Ru/Al2O3 catalyst also makes this catalyst superior. In comparison, linearly bound CO seen in alumina catalyst is not as reactive.

}, keywords = {CO2 hydrogenation, In-situ infra red spectroscopy, Ru/Al2O3, Ru/TiO2}, issn = {2468-8231}, doi = {10.1016/j.mcat.2019.110700}, author = {Dongapure, Pavan and Bagchi, Sayan and Mayadevi, S. and Devi, R. Nandini} } @article {46670, title = {Wavelength dependent luminescence decay kinetics in {\textquoteleft}quantum-confined{\textquoteright} g-C(3)N(4)nanosheets exhibiting high photocatalytic efficiency upon plasmonic coupling}, journal = {Journal of Materials Chemistry A}, volume = {8}, year = {2020}, month = {OCT }, pages = {20581-20592}, type = {Article}, abstract = {

Serendipitous observations offer newer insights into materials properties. Here we describe g-C(3)N(4)nanosheets exhibiting remarkably blue-shifted photoluminescence within the 390-580 nm range centred at 425 nm which matches more closely with its {\textquoteleft}quantum-dots{\textquoteright}, and yet is excitation-wavelength independent. Moreover, surprisingly, the luminescence decay becomes increasingly slow at higher emission wavelengths, by up to 10 times. The nanosheets absorb only a fraction of visible-light. To improve this, when we designed a nanocomposite of g-C(3)N(4)and Au nanoparticles (NPs), it retained the PL characteristics and also exhibited excellent light-harvesting and photocatalytic efficiency for benzylamine (BA) oxidation. The surface plasmon resonance of the Au NPs is responsible for the high visible-light response and assisting the reaction by the {\textquoteleft}hot-electron{\textquoteright} injection mechanism, while an uncharacteristic, pronounced co-catalytic effect by them further improves the efficiency. The conversion is 98\% with \>99\% selectivity over 1.5 h of natural sunlight and open-air, probably the highest efficiency for BA photo-oxidation reactions. Even though such a dual role by plasmonic NPs has remained unscrutinized, we argue that the charge-transfer processes for the {\textquoteleft}hot-carrier{\textquoteright} injection and co-catalytic events are well-separated in time due to a much slower photon incident frequency on a catalyst particle, enabling both to occur simultaneously in the same particle.

}, issn = {2050-7488}, doi = {10.1039/d0ta08001b}, author = {Mondal, Sanjit and Sahoo, Lipipuspa and Vaishnav, Yuvraj and Mishra, Samita and Roy, Raj Sekhar and Vinod, C. P. and De, Arijit K. and Gautam, Ujjal K.} } @article {47079, title = {[1,3]-Claisen rearrangement via removable functional group mediated radical stabilization}, journal = {Organic Letters}, volume = {23}, year = {2021}, month = {FEB }, pages = {890-895}, type = {Article}, abstract = {

A thermal O-to-C [1,3]-rearrangement of alpha-hydroxy acid derived enol ethers was achieved under mild conditions. The 2-aminothiophenol protection of carboxylic acids facilitates formation of the [1,3] precursor and its thermal rearrangement via stabilization of a radical intermediate. Experimental and theoretical evidence for dissociative radical pair formation, its captodative stability via aminothiophenol, and a unique solvent effect are presented. The aminothiophenol was deprotected from rearrangement products as well as after derivatization to useful synthons.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.0c04109}, author = {Alam, Md Nirshad and Dash, Soumya Ranjan and Mukherjee, Anirban and Pandole, Satish and Marelli, Udaya Kiran and Vanka, Kumar and Maity, Pradip} } @article {47609, title = {Acid mediated sulfonylation of para-quinone methides with tosylmethyl isocyanides for the synthesis of diarylmethyl sulfones}, journal = {ChemistrySelect}, volume = {6}, year = {2021}, month = {JUL }, pages = {7158-7161}, type = {Article}, abstract = {An efficient, hydrochloric acid promoted reaction for the synthesis of diarylmethyl sulfones has been developed via unprecedented 1, 6-conjugate addition reaction of tosylmethyl isocyanide (TosMIC) with para-quinone methides.This catalyst free reaction provides various diarylmethyl sulfones in good to excellent yields in an operationally simple method under metal free conditions. Further transformations of the productsare also demonstrated.}, keywords = {1, 6-Conjugate addition, aromatization, Diarylmethylsulfone, para-Quinonemethide, TosMIC}, issn = {2365-6549}, doi = {10.1002/slct.202102272}, author = {Kumar, Pawan and Kale, Someshwar B. and Gonnade, Rajesh G. and Das, Utpal} } @article {46739, title = {Advances in solid catalysts for selective hydrogenolysis of glycerol to 1,3-propanediol}, journal = {Catalysis Reviews-Science and Engineering}, year = {2021}, month = {JAN}, type = {Review}, abstract = {

Glycerol is one of the top 12 platform chemicals obtained from biomass. Its surplus availability as a by-product of biodiesel, fat-splitting and soap manufacturing industries and affordable price lends significant opportunity for its valorization, using solid catalysts, into propanediols (PDOs), particularly to 1,3-propanediol (1,3-PDO), by selective hydrogenolysis. 1,3-PDO is an important chemical with wide applications including that as a precursor in polymers manufacturing. However, the synthesis of 1,3-PDO by selective cleavage of the secondary C-O bond of glycerol in the presence of hydrogen (instead of the primary C-O bond yielding 1,2-PDO) is highly challenging. Of late, supported Pt and Ir catalysts in combination with a reducible oxide (WO(x)or ReOx) were found selective for 1,3-PDO formation. Support, metals composition and additives (co-added metals) affect the performance of these catalysts. Detailed investigations revealed that metal dispersion, electronic connectivity between metal and metal oxide/support, hydrogen activation/spillover and Bronsted acidity are some parameters that influence the activity and selectivity of these bi-functional, metal-metal oxide catalysts. This review summarizes the latest advances in these solid catalysts for selective hydrogenolysis of glycerol to 1,3-PDO, a monomer for advanced polymers.

}, keywords = {1, 3-Propanediol, bifunctional metal-metal oxide catalyst, biomass valorization, Glycerol, Hydrogenolysis}, issn = {0161-4940}, doi = {10.1080/01614940.2020.1794737}, author = {Bhowmik, Susmita and Darbha, Srinivas} } @article {47128, title = {Alpha-Linolenic acid inhibits Tau aggregation and modulates Tau conformation}, journal = {International Journal of Biological Macromolecules}, volume = {166}, year = {2021}, month = {JAN }, pages = {687-693}, type = {Article}, abstract = {

Alzheimer{\textquoteright}s disease is characterized by important patho-proteins, which being composed of Amyloid-beta, plaques and intracellular neurofibrillary tangles of Tau. Intrinsically disordered protein tau has several interacting partners, which are necessary for its normal functioning. Tau has been shown to interact with various proteins, nucleic acid, and lipids. alpha-Linolenic acid (ALA) a plant-based omega-3 fatty acid has been studied for its role as neuroprotective and beneficial fatty add in the brain. In this study, we are focusing on the ability of ALA to induce spontaneous assembly in tau protein. ALA inhibited the Tau aggregation as indicated by reduced ThS fluorescence kinetics, which indicates no aggregation of Tau. Similarly, SDS-PAGE analysis supported that ALA exposure inhibited the aggregation as no higher-order tau species were observed. Along with its ability to impede the aggregation of Tau, ALA also maintains a native random coiled structure, which was estimated by CD spectroscopy. Finally, TEM analysis showed that the formation of Tau fibrils was found to be discouraged by ALA. Hence, conclusion of the study suggested that ALA profoundly inhibited aggregation of Tau and maintained it{\textquoteright}s the random-coil structure. (C) 2020 Elsevier B.V. All rights reserved.

}, keywords = {alpha-linolenic acid, Alzheimer{\textquoteright}s disease, Free fatty adds, Tau conformation, Tau fibrillization}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2020.10.226}, author = {Desale, Smita Eknath and Dubey, Tushar and Chinnathambi, Subashchandrabose} } @article {47124, title = {Alpha-Linolenic acid modulates phagocytosis and endosomal pathways of extracellular Tau in microglia}, journal = {Cell Adhesion \& Migration}, volume = {15}, year = {2021}, month = {JAN }, pages = {84-100}, type = {Article}, abstract = {

Microglia, the resident immune cells, were found to be activated to inflammatory phenotype in Alzheimer{\textquoteright}s disease (AD). The extracellular burden of amyloid-beta plaques and Tau seed fabricate the activation of microglia. The seeding effect of extracellular Tau species is an emerging aspect to study about Tauopathies in AD. Tau seeds enhance the propagation of disease along with its contribution to microglia-mediated inflammation. The excessive neuroinflammation cumulatively hampers phagocytic function of microglia reducing the clearance of extracellular protein aggregates. Omega-3 fatty acids, especially docosahexaenoic acid and eicosapentaenoic acid, are recognized to induce anti-inflammatory phenotype of microglia. In addition to increased cytokine production, omega-3 fatty acids enhance phagocytic receptors expression in microglia. In this study, we have observed the phagocytosis of extracellular Tau in the presence of alpha-linolenic acid (ALA). The increased phagocytosis of extracellular Tau monomer and aggregates have been observed upon ALA exposure to microglia cells. After internalization, the degradation status of Tau has been studied with early and late endosomal markers Rab5 and Rab7. Further, the lysosome-mediated degradation of internalized Tau was studied with LAMP-2A, a lysosome marker. The enhanced migratory ability in the presence of ALA could be beneficial for microglia to access the target and clear it. The increased migration of microglia was found to induce the microtubule-organizing center repolarization. The data indicate that the dietary fatty acids ALA could significantly enhance phagocytosis and intracellular degradation of internalized Tau. Our results suggest that microglia could be influenced to reduce extracellular Tau seed with dietary fatty acids.

}, keywords = {alpha-linolenic acid, endosomal markers, Fatty acids, MTOC repolarization, Phagocytosis, Tauopathy}, issn = {1933-6918}, doi = {10.1080/19336918.2021.1898727}, author = {Desale, Smita Eknath and Chinnathambi, Subashchandrabose} } @article {47581, title = {Antimicrobial and antioxidant potential of a standardized ayurvedic formulation explains its clinical efficacy as gargles in post-radiotherapy oral cancer patients}, journal = {Journal of Herbal Medicine}, volume = {30}, year = {2021}, month = {DEC}, pages = {100510}, type = {Article}, abstract = {Introduction: Exploring the antioxidant and antimicrobial potential of a standardized proprietary poly-herbal powder and evaluating its clinical efficacy as an Ayurvedic gargle (Gandush) for reducing oral microbial load and side effects of radiotherapy in oral cavity cancer patients was the aim of this pilot study. Methods: Formulation (Gandush Churna) comprising Terminalia chebula Retz., Terminalia bellirica (Gaertn.) Roxb., Phyllanthus emblica L. and Curcuma longa L. and its decoction (Gandush Kwath) were standardized. In-vitro antioxidant potential and antimicrobial activity against selective bacterial and fungal strains were studied. Oral cavity cancer patients who had undergone radiotherapy were enrolled. The decoction was prepared by soaking Gandush Churna in water, boiling and reducing by 50 \%; and was used for gargling, twice a day, for 7 days. Total microbial count and identification of microbiota in the oral cavity as well as symptoms graded as per Common Terminology Criteria for Adverse Events, were noted before and after the treatment. Change in microbial load and shift in symptom gradations were analyzed. Results: A monograph with physicochemical, chromatography, safety and stability parameters was developed. The decoction possessed good in-vitro antioxidant and antimicrobial activities. Gargling therapy significantly reduced bacterial load while mildly controlled the fungal infection in oral cavity cancer patients. It significantly reduced the severity of symptoms viz. stomatitis and local pain, with considerably decreased xerostomia and dysphagia. Conclusions: Intervention of gargle therapy using poly-herbal formulation may serve as an effective complementary treatment to improve oral hygiene and reduce side effects of radiotherapy in oral cancer patients.}, keywords = {Anti-microbial, Antioxidant, Gandush, Gargle therapy, Oral cavity cancers, Radiotherapy side effects}, issn = {2210-8033}, doi = {10.1016/j.hermed.2021.100510}, author = {Chavan, Sandeep and Bhuvad, Sushama and Kumbhlakar, Bhagyashri and Auti, Jyoti and Walunj, Tanhaji and Pathak, Shridevi and Tanpure, Rahul and Gujar, Shweta and Shinde, Jagdish and Kulkarni, Arvind and Gupta, Vidya and Deshmukh, Vineeta and Sardeshmukh, Sadanand} } @article {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 {47340, title = {Architecture of NaFe(MoO4)2 as a novel anode material for rechargeable lithium and sodium ion batteries}, journal = {Applied Surface Science}, volume = {559}, year = {2021}, month = {SEP }, pages = {149903}, type = {Article}, abstract = {

In recent decades, particular focus has been given to enhance the capacity of LIBs and SIBs either by developing new materials or by modifying existing materials. Hence, we have demonstrated a new anode material i.e. sodium iron molybdate [NaFe(MoO4)2] for both LIBs and SIBs. NaFe(MoO4)2 has been successfully synthesized by solid-state combustion technique and tested as a promising new anode material for both LIBs and SIBs. A detailed analysis of the crystal structure has been performed using DFT calculations. NaFe(MoO4)2 crystallizes in the monoclinic phase with the space group C2/c (\#15). FESEM also shows highly crystalline monoclinic shaped crystals of micron size. When evaluated as an anode material for LIBs, NaFe(MoO4)2 electrode exhibited electrochemical capacity of 920 mAhg- 1 in the second cycle at the current density of 50 mAg-1. Though capacity decreases on further cycling, the coulombic efficiency was maintained at 99\% for 50 cycles. Significantly, a high discharge capacity of 100 mAhg- 1 was maintained at a very high rate of 1 Ag-1. On the other hand, we have also tested NaFe(MoO4)2 for SIBs which shows excellent reversible specific capacity i.e. 100 mAhg- 1 at the current density of 100 mAg-1 even after 500 cycles. This novel system has shown good stability for LIBs and SIBs which is hitherto unattempted.

}, keywords = {Electrochemical study, lithium-ion battery, Morphology, NaFe(MoO4)2, Sodium-ion battery}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2021.149903}, author = {Tamboli, Asiya M. and Tamboli, Mohaseen S. and Praveen, C. S. and Dwivedi, Pravin Kumari and Karbhal, Indrapal and Gosavi, Suresh W. and Shelke, V, Manjusha and Kale, Bharat B.} } @article {47452, title = {Aspergillus derived mycotoxins in food and the environment: prevalence, detection, and toxicity}, journal = {Toxicology Reports }, volume = {8}, year = {2021}, month = {JAN}, pages = {1008-1030}, type = {Article}, abstract = {

Aspergillus\ species are the paramount ubiquitous fungi that contaminate various food substrates and produce biochemicals known as mycotoxins. Aflatoxins (AFTs), ochratoxin A (OTA), patulin (PAT), citrinin (CIT), aflatrem (AT), secalonic acids (SA), cyclopiazonic acid (CPA), terrein (TR), sterigmatocystin (ST) and gliotoxin (GT), and other toxins produced by species of\ Aspergillus\ plays a major role in food and human health. Mycotoxins exhibited wide range of toxicity to the humans and animal models even at nanomolar (nM) concentration. Consumption of detrimental mycotoxins adulterated foodstuffs affects human and animal health even trace amounts. Bioaerosols consisting of spores and hyphal fragments are active elicitors of bronchial irritation and allergy, and challenging to the public health.\ Aspergillus\ is the furthermost predominant environmental contaminant unswervingly defile lives with a 40{\textendash}90 \% mortality risk in patients with conceded immunity. Genomics, proteomics, transcriptomics, and metabolomics approaches useful for mycotoxins{\textquoteright} detection which are expensive. Antibody based detection of toxins chemotypes may result in cross-reactivity and uncertainty. Aptamers (APT) are single stranded DNA (ssDNA/RNA), are specifically binds to the target molecules can be generated by systematic evolution of ligands through exponential enrichment (SELEX). APT are fast, sensitive, simple, in-expensive, and field-deployable rapid point of care (POC) detection of toxins, and a better alternative to antibodies.

}, doi = {10.1016/j.toxrep.2021.04.013}, author = {Navale, Vishwambar and Vamkudoth, Koteswara Rao and Ajmera, Shanthipriya and Dhuri, Vaibhavi} } @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 {47793, title = {Bibliometric analysis of named entity recognition for chemoinformatics and biomedical information extraction of ovarian cancer}, journal = {Library Philosophy and Practice }, year = {2021}, month = {APR}, type = {Article}, abstract = {With the massive amount of data that has been generated in the form of unstructured text documents, Biomedical Named Entity Recognition (BioNER) is becoming increasingly important in the field of biomedical research. Since currently there does not exist any automatic archiving of the obtained results, a lot of this information remains hidden in the textual details and is not easily accessible for further analysis. Hence, text mining methods and natural language processing techniques are used for the extraction of information from such publications.Named entity recognition, is a subtask that comes under information extraction that focuses on finding and categorizing specific entities in text. In this paper, bibliometric analysis of named entity recognition of ovarian cancer is carried out using information about publications from Scopus. The most productive journals, countries and authors are determined. The most frequently cited article and its citation history has been described. Also bibliometric maps based on citation network among countries are constructed. This study can assist people in the medical field to get a comprehensive understanding of the study of BioNER. It can also be utilized for reference works, for the research and application of the BioNER visualization methods. }, url = {https://digitalcommons.unl.edu/libphilprac/5536/}, author = {Khedkar, Vijayhsri and Fernandes, Charlotte and desai, Devshi and Shinde, Mansi and Dr, Chavan, and Dr, Tidke, and Dr, Karthikeyan} } @article {47114, title = {Bioglycerol (C3) upgrading to 2,3-butanediol (C4) by cell-free extracts of Enterobacter aerogenes NCIM 2695}, journal = {Journal of Chemical Technology and Biotechnology}, volume = {96}, year = {2021}, month = {MAY}, pages = {1316-1325}, type = {Article}, abstract = {

BACKGROUND Production of biobased chemicals from renewable resources is a green starring approach that serves as a substitute to petroleum derivatives. Bioglycerol, with its growing production as a co-product of biodiesel, is an attractive low-cost feedstock for the synthesis of platform chemicals by microbial fermentation. 2,3-butanediol (2,3-BDO) is amongst the top biorefinery platform chemicals that can be produced by glycerol fermentation. RESULTS The {\textquoteleft}Circular Economy{\textquoteright} concept is demonstrated by converting the by-product bioglycerol using a cell-free extract of Enterobacter aerogenes NCIM 2695 (National Collection of Industrial Microorganisms, NCIM), yielding 22 g L-1 2,3-BDO, in 96 h, 98\% atom economy and 0.4 g/g E factor. The cell-free bioglycerol conversion to 2,3-BDO was proved using a modified procedure for determining glycerol dehydrogenase enzyme assay by protein analysis and it was also shown to be cell-bounded. CONCLUSION Our study offers an effective utilization of the leftover material (i.e. cell-free extract) that biocatalysed C3 to C4 diol, which adds value to the overall economics of the process using only crude glycerol (C3) itself as a fermentative medium.

}, keywords = {2, 3-Butanediol, atom economy, circular economy, E factor, Glycerol, glycerol dehydrogenase}, issn = {0268-2575}, doi = {10.1002/jctb.6650, Early Access Date = JAN 2021}, author = {Parate, Roopa and Borgave, Mrunal and Dharne, Mahesh and Rode, Chandrashekhar} } @article {46671, title = {Biological process of lysine-tRNA charging is therapeutically targetable in liver cancer}, journal = {Liver International}, volume = {41}, year = {2021}, month = {JAN }, pages = {206-219}, type = {Article }, abstract = {

Background \& Aims Mature transfer RNAs (tRNA) charged with amino acids decode mRNA to synthesize proteins. Dysregulation of translational machineries has a fundamental impact on cancer biology. This study aims to map the tRNAome landscape in liver cancer patients and to explore potential therapeutic targets at the interface of charging amino acid with tRNA. Methods Resected tumour and paired tumour-free (TFL) tissues from hepatocellular carcinoma (HCC) patients (n = 69), and healthy liver tissues from organ transplant donors (n = 21), HCC cell lines, and cholangiocarcinoma (CC) patient-derived tumour organoids were used. Results The expression levels of different mature tRNAs were highly correlated and closely clustered within individual tissues, suggesting that different members of the tRNAome function cooperatively in protein translation. Interestingly, high expression of tRNA-Lys-CUU in HCC tumours was associated with more tumour recurrence (HR 1.1;P = .022) and worse patient survival (HR 1.1;P = .0037). The expression of Lysyl-tRNA Synthetase (KARS), the enzyme catalysing the charge of lysine to tRNA-Lys-CUU, was significantly upregulated in HCC tumour tissues compared to tumour-free liver tissues. In HCC cell lines, lysine deprivation, KARS knockdown or treatment with the KARS inhibitor cladosporin effectively inhibited overall cell growth, single cell-based colony formation and cell migration. This was mechanistically mediated by cell cycling arrest and induction of apoptosis. Finally, these inhibitory effects were confirmed in 3D cultured patient-derived CC organoids. Conclusions The biological process of charging tRNA-Lys-CUU with lysine sustains liver cancer cell growth and migration, and is clinically relevant in HCC patients. This process can be therapeutically targeted and represents an unexplored territory for developing novel treatment strategies against liver cancer.

}, keywords = {Cladosporin, liver cancer, lysine, Lysyl-tRNA Synthetase, tRNA-Lys-CUU, tRNAome}, issn = {1478-3223}, doi = {10.1111/liv.14692}, author = {Zhang, Ruyi and Noordam, Lisanne and Ou, Xumin and Ma, Buyun and Li, Yunlong and Das, Pronay and Shi, Shaojun and Liu, Jiaye and Wang, Ling and Li, Pengfei and Verstegen, Monique M. A. and Reddy, D. Srinivasa and van Der Laan, Luc J. W. and Peppelenbosch, Maikel P. and Kwekkeboom, Jaap and Smits, Ron and Pan, Qiuwei} } @article {47048, title = {Boolean model for melanogenesis}, journal = {Physical Biology}, volume = {18}, year = {2021}, month = {MAR}, pages = {026004}, type = {Article}, abstract = {

Melanogenesis is a highly regulated process through which the pigment melanin is produced in skin cells. Irregularities in the molecular events that govern the process of skin pigmentation can cause disorders like vitiligo. In order to understand the biology of disease progression, it is important to have an in depth understanding of intracellular events. Mathematical models provide an integrated view of intracellular signalling. There are very few models to date that incorporate intracellular processes relevant to melanogenesis and only one to our knowledge that simulates the dynamics of response to varying levels of input. Here, we report the formulation of the largest Boolean model (265 nodes) for melanogenesis to date. The model was built on the basis of a detailed interaction network graph published by Raghunath et al. Through additional manual curation of the reported interactions, we converted the graph into a set of Boolean rules, following the procedure of the first Boolean model (62 nodes) for melanogenesis published by Lee et al. Simulations show that the predicted response to varying UV levels for most of the nodes is similar to the predictions of the existing model. The greater complexity allows investigation of the sensitivity of melanin to additional nodes. We carried out perturbation analysis of the network through node deletion and constitutive activation to identify sensitivity of outcomes, and compared the nodes identified as sensitive to previous reports.

}, keywords = {Boolean model, melanogenesis, Signal transduction}, issn = {1478-3967}, doi = {10.1088/1478-3975/abd3dd}, author = {Dnyane, Pooja and Gadgil, Chetan} } @article {47084, title = {Can we identify the salt-cocrystal continuum state using XPS?}, journal = {Crystal Growth \& Design}, volume = {21}, year = {2021}, month = {FEB }, pages = {735-747}, type = {Article}, abstract = {

X-ray photoelectron spectroscopy (XPS) is used to understand the nature of acid-base crystalline solids, to know whether the product is a salt (proton transfer, O-center dot center dot center dot H-N+) or a cocrystal (neutral adduct, O-H center dot center dot center dot N). The present study was carried out to explore if intermediate states of proton transfer from COOH to nitrogen (the proton resides between hydrogen bonded to O and N, O center dot center dot center dot H center dot center dot center dot N, quasi state) can be differentiated from a salt (complete proton transfer, N+-H center dot center dot center dot center dot O-) and cocrystal (no proton transfer, O-H center dot center dot center dot N) using N 1s XPS spectroscopy. The intermediate states of proton transfer arise when the pK(a) difference between the acid and the conjugate base is between -1 and 4, -1 \< Delta pK(a) \< 4, a situation common with COOH and pyridine functional groups present in drug molecules and pharmaceutically acceptable coformers. Complexes of pyridine N bases with aromatic COOH molecules in nine salts/cocrystals were cocrystallized, and their N 1s core binding energies in XPS spectra were measured. The proton state was analyzed by single-crystal X-ray diffraction for confirmation. Three new complexes were crystallized and analyzed by XPS spectra (without knowledge of their X-ray structures), to assess the predictive ability of XPS spectra in differentiating salt-cocrystal intermediate states against the extremities. The XPS results were subsequently confirmed by single-crystal X-ray data. Complexes of 3,5-dinitrobenzoic acid and isonicotinamide in 1:1 and 1:2 ratios exist as a salt and a salt-cocrystal continuum, respectively, as shown by the N 1s core binding energies. The proton states of the crystalline solids by XPS are in good agreement with the corresponding crystal structures. Other complexes, such as those of 3,5-dinitrobenzoic acid with 1,2-bis(4-pyridyl)ethylene, exhibit a salt-cocrystal continuum, maleic acids with 1,2-bis(4-pyridyl)ethylene and acridine are salts, 2-hydroxybenzoic acid and acridine is a salt, and the complex of 3,5-dinitrobenzoic acid and 3-hydroxypyridine is a salt and salt-cocrystal continuum, while fumaric acids with 1,2-bis(4-pyridyl)ethylene and acridine are cocrystals. Furthermore, three new acidbase complexes of 3,5-dinitrobenzoic acid with phenazine, 4-hydroxypyridine, and 4-cyanopyridine were studied initially by XPS and then confirmed by X-ray diffraction. In summary, since the N 1s binding energies cluster in a narrow range as cocrystals (398.7-398.9 eV) and salts (400.1-401.1 eV), it is clearly possible to differentiate between cocrystals and salts, but the saltcocrystal continuum values in XPS spectra are clustered in an intermediate range of cocrystals and salts but overlap with those of cocrystal or salt binding energies.

}, issn = {1528-7483}, doi = {10.1021/acs.cgd.0c00661}, author = {Tothadi, Srinu and Shaikh, Tabrez Rafique and Gupta, Sharad and Dandela, Rambabu and Vinod, Chathakudath P. and Nangia, Ashwini K.} } @article {47444, title = {Combating multi-drug resistant malaria parasite by inhibiting falcipain-2 and heme-polymerization: Artemisinin-peptidyl vinyl phosphonate hybrid molecules as new antimalarials}, journal = {European Journal of Medicinal Chemistry}, volume = {220}, year = {2021}, month = {AUG}, pages = {113454}, type = {Article}, abstract = {

Artemisinin-based combination therapies (ACTs) have been able to reduce the clinical and pathological malaria cases in endemic areas around the globe. However, recent reports have shown a progressive decline in malaria parasite clearance in South-east Asia after ACT treatment, thus envisaging a need for new artemisinin (ART) derivatives and combinations. To address the emergence of drug resistance to current antimalarials, here we report the synthesis of artemisinin-peptidyl vinyl phosphonate hybrid molecules that show superior efficacy than artemisinin alone against chloroquine-resistant as well as multidrug-resistant Plasmodium falciparum strains with EC50\ in pico-molar ranges. Further, the compounds effectively inhibited the survival of ring-stage parasite for laboratory-adapted artemisinin-resistant parasite lines as compared to artemisinin. These hybrid molecules showed complete parasite clearance in vivo using P. berghei mouse malaria model in comparison to artemisinin alone. Studies on the mode of action of hybrid molecules suggested that these artemisinin-peptidyl vinyl phosphonate hybrid molecules possessed dual activities: inhibited falcipain-2 (FP-2) activity, a P. falciparum cysteine protease involved in hemoglobin degradation, and also blocked the hemozoin formation in the food-vacuole, a step earlier shown to be blocked by artemisinin. Since these hybrid molecules blocked multiple steps of a pathway and showed synergistic efficacies, we believe that these lead compounds can be developed as effective antimalarials to prevent the spread of resistance to current antimalarials.

}, doi = {10.1016/j.ejmech.2021.113454}, author = {Aratikatla, Eswar K. and Kalamuddin, Md and Rana, Kalpeshkumar C. and Datta, Gaurav and Asad, Mohd and Sundararaman, Srividhya and Malhotra, Pawan and Mohmmed, Asif and Bhattacharya, Asish K.} } @article {47500, title = {Conserved RNA binding activity of phosphatidyl inositol 5-phosphate 4-kinase (PIP4K2A)}, journal = {Frontiers in Molecular Biosciences}, volume = {8}, year = {2021}, month = {MAY}, pages = {631281}, type = {Article}, abstract = {Plasmodium falciparum is a causative agent for malaria and has a complex life cycle in human and mosquito hosts. During its life cycle, the malarial parasite Plasmodium goes through different asexual and sexual stages, in humans and mosquitoes. Expression of stage-specific proteins is important for successful completion of its life cycle and requires tight gene regulation. In the case of Plasmodium, due to relative paucity of the transcription factors, it is postulated that posttranscriptional regulation plays an important role in stage-specific gene expression. Translation repression of specific set of mRNA has been reported in gametocyte stages of the parasite. A conserved element present in the 3 {\textquoteleft} UTR of some of these transcripts was identified. Phosphatidylinositol 5-phosphate 4-kinase (PIP4K2A) was identified as the protein that associates with these RNA. We now show that the RNA binding activity of PIP4K2A is independent of its kinase activity. We also observe that PIP4K2A is imported into the parasite from the host on Plasmodium berghei and Toxoplasma gondii. The RNA binding activity of PIP4K2A seems to be conserved across species from Drosophila and C. elegans to humans, suggesting that the RNA binding activity of PIP4K may be important, and there may be host transcripts that may be regulated by PIP4K2A. These results identify a novel RNA binding role for PIP4K2A that may not only play a role in Plasmodium propagation but may also function in regulating gene expression in multicellular organisms.}, keywords = {malaria, posttranscriptional gene regulation, RNA-protein interaction, translation regulation}, doi = {10.3389/fmolb.2021.631281}, author = {Behari, Jatin and Borkar, Pranita and Vindu, Arya and Dandewad, Vishal and Upadrasta, Sindhuri and Shanmugam, Dhanasekaran and Seshadri, Vasudevan} } @article {47572, title = {Construction of beta-cyclodextrin linked glycidyl methacrylate polymers for stereoselective separation of chiral drug}, journal = {Journal of Polymer Research}, volume = {28}, year = {2021}, month = {AUG}, pages = {287}, type = {Article}, abstract = {In this present study, a series of cross-linked porous polymers based on Glycidyl Methacrylate (GMA) were synthesized by suspension polymerization using cyclohexanol and hexanol as pore generating solvents. beta-cyclodextrin (beta-CD) was covalently bonded to the polymers by using Hexamethylene Diisocyanate (HMDI) and Sebacoyl Chloride (SC) as spacer arms. The effects of matrix properties such as pore volume, type of crosslinker, and spacer on the loading of beta-cyclodextrin were investigated. The stereoselective binding of enantiomers of the anti-depressant drug citalopram was studied using beta-cyclodextrin loaded polymers under batch adsorption mode. The capacity factor and selectivity of isomers were investigated also. This study reveals that these beta-cyclodextrin bonded Glycidyl Methacrylate (GMA) polymers are potentially suitable for chromatographic separation of citalopram.}, keywords = {beta-cyclodextrin, Citalopram, Glycidyl Methacrylate (GMA) beads, HPLC etc, Stereoslelctivity}, issn = {1022-9760}, doi = {10.1007/s10965-021-02634-7}, author = {Wale, Apparav and Mulani, Khudbudin and Deshpande, Supriya and Rajan, C. R. and Ponrathnam, Surendra} } @article {47739, title = {Continuous citrate-capped gold nanoparticle synthesis in a two-phase flow reactor}, journal = {Journal of Flow Chemistry}, volume = {11}, year = {2021}, month = {SEP}, pages = {553-567}, type = {Article}, abstract = {A continuous manufacturing platform was developed for the synthesis of aqueous colloidal 10-20 nm gold nanoparticles (Au NPs) in a flow reactor using chloroauric acid, sodium citrate and citric acid at 95 degrees C and 2.3 bar(a) pressure. The use of a twophase flow system - using heptane as the continuous phase - prevented fouling on the reactor walls, while improving the residence time distribution. Continuous syntheses for up to 2 h demonstrated its potential application for continuous manufacturing, while live quality control was established using online UV-Vis photospectrometry that monitored the particle size and process yield. The synthesis was stable and reproducible over time for gold precursor concentration above 0.23 mM (after mixing), resulting in average particle size between 12 and 15 nm. A hydrophobic membrane separator provided successful separation of the aqueous and organic phases and collection of colloidal Au NPs in flow. Process yield increased at higher inlet flow rates (from 70\% to almost 100 \%), due to lower residence time of the colloidal solution in the separator resulting in less fouling in the PTFE membrane. This study addresses the challenges for the translation of the synthesis from batch to flow and provides tools for the development of a continuous manufacturing platform for gold nanoparticles.}, keywords = {Continuous manufacturing, Nanomaterials, Online analysis, phase separation, segmented flow}, issn = {2062-249X}, doi = {10.1007/s41981-021-00172-3}, author = {Damilos, Spyridon and Alissandratos, Ioannis and Panariello, Luca and Radhakrishnan, Anand N. P. and Cao, Enhong and Wu, Gaowei and Besenhard, Maximilian O. and Kulkarni, Amol A. and Makatsoris, Charalampos and Gavriilidis, Asterios} } @article {46603, title = {Controlling draw resonance during extrusion film casting of nanoclay filled linear low-density polyethylene: an experimental study and numerical linear stability analysis}, journal = {Journal of Plastic Film \& Sheeting}, volume = {37}, year = {2021}, month = {JUL}, pages = {8756087920978443}, type = {Article}, abstract = {

Commercially important extrusion film casting (EFC) processes for manufacturing plastic films or sheets are hampered by several instabilities that severely limits their productivity. In this research we focussed on one important instability: the draw resonance that occurs during the EFC process mainly under extensional flow conditions. Draw resonance is the sustained periodic oscillations in the film dimensions, notably film width and thickness, when the process operates beyond a critical draw ratio (CDR). In this research our goal was to reduce this draw resonance instability by incorporating well dispersed nanoclay fillers in a base polymeric resin (such as a linear low density polyethylene - LLDPE) to determine how these nanocomposite (NC) formulations can prevent or reduce the draw resonance defect. EFC experiments were conducted on the base resin and on the NC formulations under non-isothermal conditions to determine the onset of the draw resonance experimentally. Conventional linear stability analysis was performed to determine the onset of the draw resonance defect numerically. Numerical predictions for the onset of draw resonance were in qualitative agreement with our experimental data. Our results showed that incorporating appropriate nanoclay concentrations in a base polymeric resin indeed enhanced the EFC process stability for those polymer formulations and thus can have important economic implications for processors.

}, keywords = {Draw resonance, extensional strain hardening, Extrusion, Film, hydrodynamic interactions, Nanoclay, Nanocomposites, Polyethylene, Rheology, stability}, issn = {8756-0879}, doi = {10.1177/8756087920978443}, author = {Rokade, Dhammaraj and Chougale, Sanket and Patil, Prashant and Bhattacharjee, Tanushree and Gawande, Dnyaneshwar and Pol, Harshawardhan and Dhadwal, Renu} } @article {47787, title = {Convenient and mild protocol for preparation of α {\textendash}trimethylsilyloxyphosphonates using sulfamic acid and their oxidation to α {\textendash} ketophosphonates in the presence of N-bromosuccinimide}, journal = {Arkivoc}, volume = {2021}, year = {2021}, month = {SEP}, type = {Article}, abstract = {A convenient and mild protocol was developed for the trimethylsilylation of α-hydroxyphosphonates using hexamethyldisilazane as the silylating agent in the presence of sulfamic acid (SA) as a heterogeneous solid acid catalyst in dichloromethane as the reaction medium. The utility of SA as the catalyst for deprotection of α-trimethylsilyloxyphosphonates to parent α-hydroxyphosphonates by making a switch to a protic solvent such as methanol was also demonstrated. Furthermore, the oxidation of α{\textendash}trimethylsilyloxyphosphonates to corresponding α{\textendash}ketophosphonates was achieved in excellent yields employing N-bromosuccinimide in the presence of catalytic quantity of AIBN.}, doi = {10.24820/ark.5550190.p011.603}, author = {Mitragotri, Satish and Kulkarni, Makarand and Desai, Uday and Wadagaonkar, Prakash} } @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 {47385, title = {Crack-free conjugated PbS quantum dot-hole transport layers for solar cells}, journal = {ACS Applied Nano Materials}, volume = {4}, year = {2021}, month = {APR}, pages = {4016-4025}, type = {Article}, abstract = {

Colloidal quantum dots (QDs) benefit from solution-phase processing and band-gap tuning for their application in solar cell development. Today{\textquoteright}s QD solar cells rely on solid-state ligand exchange (SLE) to replace bulky oleic acid (OA) ligands with small 1,2-ethanedithiol (EDT) ligands to develop a conducting hole transport layer (HTL). High volume contraction in EDT conjugated QD films, however, leads to crack and porosity in the HTL, which is a major cause of concern for the device reproducibility and large-area solar cell development. We show that partial removal of the OA ligands in the solution phase reduces the volume contraction in solid films, thereby allowing the growth of crack-free QD films in the SLE process. The cleaning of QDs by repeated precipitation and redispersion using a protic methanol (MeOH) solvent helps with partial removal of the OA ligands, but it is detrimental to the electronic properties of QDs. We develop a one-step solution-phase partial ligand-exchange process using ammonium salts, which enable partial replacement of the OA ligands and passivation of the QD surface. Introduction of the facile partial ligand-exchange process eliminates the need for tedious and wasteful multiple cleaning steps with MeOH, while improving the photophysical properties of QDs. The advancement in QD processing helps to build crack-free, smooth, and conjugated QD films for their deployment as HTLs in solar cell development. Partial ligand exchange with NH4SCN leads to a 1.5 times increase in p doping and mobility over multiple MeOH-cleaned PbS QD films. HTLs developed using NH4SCN QDs show an improved photovoltaic performance to attain a 10.5\% power conversion efficiency. Improvement in the depletion width and hole collection efficiency leads to a superior photovoltaic performance, as confirmed from experimental studies and one-dimensional solar cell capacitance simulation.

}, keywords = {Efficiency, ligand, polydispersity, quantum dot, solar cells, thin film}, issn = {2574-0970}, doi = {10.1021/acsanm.1c00373}, author = {Sharma, Ashish and Dambhare, V. Neha and Bera, Jayanta and Sahu, Satyajit and Rath, Arup K.} } @article {47044, title = {Deciphering the role of temperature in Li+ co-dopant occupancy in BaYF5:Yb3+,Er3+ up-converting nanocrystals and its structure-property relationship}, journal = {Journal of Chemical Physics}, volume = {154}, year = {2021}, month = {MAR }, pages = {094707}, type = {Article}, abstract = {

Precision engineering of defects in luminescent nanoscale crystalline materials with lesser controls to design is an area of interest in engineering materials with desired properties. Li+ co-doped BaYF5 nanocrystals were engineered, and temperature as controls for determining the co-dopant occupancies in the host lattice is studied. An observed enhancement in the up-conversion photoluminescence results from the co-dopant occupancy at Ba2+ sites via substitution through the hot injection method, whereas for samples prepared using co-precipitation, photoluminescence quenching was observed, which can be correlated with the Li+ occupancy at the interstitial site near Er3+ and also due to the incorporation of OH-. The crystal lattice deformation as a result of doping and the mechanism for the observed enhancement/quenching of luminescence are studied using x-ray diffraction, x-ray photoelectron spectroscopy, and energy transfer mechanism. Cytotoxicity assay and photoluminescence studies of the synthesized nanocrystals confirm that the material is biocompatible.

}, issn = {0021-9606}, doi = {10.1063/5.0033864}, author = {Devi, Suman and Luwang, Meitram Niraj} } @article {47457, title = {Design, synthesis, and structural analysis of cladosporin-based inhibitors of malaria parasites}, journal = {ACS Infectious Diseases}, volume = {7}, year = {2021}, month = {JUL}, pages = {1777{\textendash}1794}, type = {Article}, abstract = {

Here we have described a systematic structure activity relationship (SAR) of a set of compounds inspired from cladosporin, a tool compound that targets parasite (Plasmodium falciparum) lysyl tRNA synthetase (KRS). Four sets of analogues, synthesized based on point changes in the chemical scaffold of cladosporin and other logical modifications and hybridizations, were assessed using high throughput enzymatic and parasitic assays along with\ in vitro\ pharmacokinetics. Co-crystallization of the most potent compound in our series (CL-2) with\ PfKRS revealed its structural basis of enzymatic binding and potency. Further, we report that\ CL-2\ has performed better than cladosporin in terms of metabolic stability. It thus represents a new lead for further optimization toward the development of antimalarial drugs. Collectively, along with a lead compound, the series offers insights on how even the slightest chemical modification might play an important role in enhancing or decreasing the potency of a chemical scaffold.

}, doi = {10.1021/acsinfecdis.1c00092}, author = {Babbar, Palak and Das, Pronay and Manickam, Yogavel and Mankad, Yash and Yadav, Swati and Parvez, Suhel and Sharma, Amit and Reddy, Srinivasa} } @article {47756, title = {Direct oxidation of cyclohexane to adipic acid by a WFeCoO(OH) catalyst: role of bronsted acidity and oxygen vacancies}, journal = {ACS Catalysis}, volume = {11}, year = {2021}, month = {SEP }, pages = {10754-10766}, type = {Article}, abstract = {This work reports the catalytic activity of the trimetallic mixed-metal oxyhydroxide WFeCoO(OH) for the direct oxidation of cyclohexane to adipic acid (AA) without the use of concentrated HNO3. WFeCoO(OH) displayed a 40\% conversion of cyclohexane and a 67\% selectivity to AA under relatively milder conditions of temperature (90 degrees C) and pressure (1 atm). Experimental evidence confirmed the presence of acidic, basic, and redox sites on WFeCoO(OH). The detailed investigation revealed that doping W in the Co-FeO(OH) matrix increased the amount of surface lattice oxygen (OS-L) and caused a significant surge in acidity (5.1 mmol/g). The calculated deprotonation energy of WFeCoO(OH) was 1434 kJ/mol, and the trend in acidity was WCoO(OH) < WFeCoO(OH) < FeCoO(OH) similar to CoO(OH). Energy calculations showed that WFeCoO(OH) had a high propensity to generate oxygen vacancies by the loss of either a water molecule or an oxygen atom (-132.2 or -140.9 kJ/mol, respectively). Basicity was generated due to the presence of conjugate pairs of the surface hydroxyl groups. The combined action of the trifunctional acidic, basic, and redox-active metal centers along with the oxygen vacancies was responsible for the enhanced catalytic performance.}, keywords = {Adipic Acid, deprotonation energy, metal oxyhydroxides, multifunctional catalysts, oxygen vacancies}, issn = {2155-5435}, doi = {10.1021/acscatal.1c01464}, author = {Vernekar, Dnyanesh and Dayyan, Mohammad and Ratha, Satyajit and Rode, V, Chandrashekhar and Haider, M. Ali and Khan, Tuhin Suvra and Jagadeesan, Dinesh} } @article {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 {47422, title = {Diverse reactivity of carbenes and silylenes towards fluoropyridines}, journal = {Chemical Communications}, volume = {57}, year = {2021}, month = {MAY }, pages = {4428-4431}, type = {Article}, abstract = {

The reaction of IDipp with C5F5N led to functionalization of all three carbon atoms of the imidazole ring with HF2- as the counter-anion (1). Reactivity with 2,3,5,6-tetrafluoropyridine gives only C-F bond activation leaving C-H bonds intact (5b). The reaction of SIDipp with C5F5N in the presence of BF3 afforded the ring cleavage product (3). Analogous reactions with silylene led to oxidative addition at the Si(II) center.

}, issn = {1359-7345}, doi = {10.1039/d1cc01401c, Early Access Date = MAR 2021}, author = {Kundu, Gargi and Ajithkumar, V. S. and Bisai, Milan Kumar and Tothadi, Srinu and Das, Tamal and Vanka, Kumar and Sen, Sakya S.} } @article {47085, title = {Dual-catalyst engineered porous organic framework for visible-light triggered, metal-free and aerobic sp(3) C-H activation in highly synergistic and recyclable fashion}, journal = {Journal of Catalysis}, volume = {394}, year = {2021}, month = {FEB}, pages = {40-49}, type = {Article}, abstract = {

Photoredox and organo-catalysis denote powerful construction tools for new classes of carbon-carbon bonds, where incisive amalgamation of both the approaches over a single, recyclable platform can bring about synergic and eco-friendly reactions under mild conditions. Aiming at enamine-based photoredox catalysis for atom-economic and metal-free sp(3 )C-H activation, an amide-based two-dimensional (2D) porous organic framework (POF) is devised. The pendent -NH2 groups are judiciously anchored with two catalytic stations viz. Rose Bengal and L-proline, through stepwise variation of solid phase peptide synthesis. The dual-catalyst engineered POF represents a fully organic material that synergistically performs visible-light triggered oxidative Mannich reaction to produce biorelevant heterocycle beta-amino ketone in excellent yield at room temperature, using oxygen as clean and selective oxidant. Importantly, activity of this bi-functionalized catalyst compares favorably well to individual homogeneous counterparts. The covalently modified framework demonstrates economic viability via gram-scale synthesis besides admirable reusability, and proves to be effective for nineteen varieties of substrates. The photocatalytic path is detailed from efficient energy transfer from host polymer to substrate in light of experimental and theoretical studies, which provides proof-of-concept to the photo-organo combined mechanism. The material benefits heterogenising two homogeneous catalysts, besides excluding additional steps of conventional Mannich reactions, and offers a step-forward to smart and green cross-dehydrogenative coupling reactions. (C) 2020 Elsevier Inc. All rights reserved.

}, keywords = {Atom-economy, C-H activation, Dual-catalyst engineering, Metal-free reaction, Photo-organo catalysis, Porous organic framework}, issn = {0021-9517}, doi = {10.1016/j.jcat.2020.12.013}, author = {Kumar, Gaurav and Dash, Soumya Ranjan and Neogi, Subhadip} } @article {47388, title = {Easy and practical approach to access multifunctional cylcopentadiene- and cyclopentene-spirooxindoles via [3+2] annulation}, journal = {Organic \& Biomolecular Chemistry}, volume = {19}, year = {2021}, month = {MAY}, pages = {4338-4345}, type = {Article}, abstract = {

A highly regioselective [3 + 2] annulation of Morita-Baylis-Hillman (MBH) carbonates of isatin with aurone/thioaurone is developed. Spiroheterocycles such as spirooxindole cyclopentadiene and spirooxindole fused hydroxy cyclopentene derivatives are constructed in one pot by exploring the reactivity of Lewis bases. Combined experimental and density functional theory (DFT) calculations offered an insight into the reaction mechanism.

}, issn = {1477-0520}, doi = {10.1039/d1ob00514f, Early Access Date = APR 2021}, author = {Warghude, Prakash K. and Sabale, Abhijeet S. and Dixit, Ruchi and Vanka, Kumar and Bhat, Ramakrishna G.} } @article {47404, title = {Effect of Mn2+ substitution into the hst lattice of ZnO via sol-gel route for boosting the dye-sensitized solar cells performance}, journal = {Chemical Papers}, volume = {75}, year = {2021}, month = {AUG}, pages = {4001-4017}, type = {Article}, abstract = {

In this study, Mn2+ ion is doped in ZnO lattice framework at 1, 3 and 5 wt \% by a simple and low-cost sol-gel route to attain improved optoelectronic response. The structural investigation by XRD and Raman analysis explores the formation of hexagonal wurtzite framework with variations in lattice parameters comprising peak intensities favors the Mn doping. The extent of doping was supported by EDS analysis, while XPS confirms doping in + 2 chemical state. The optical investigation by UV-visible and PL provides prominent peaks that also specify peak shifting in order of doping level, while the significant hexagon-shaped nanoparticle (NP) formation was deduced in SEM and TEM micrographs. These proficient ZnO NPs have been deposited on fluorine-doped tin oxide (FTO) conducting glass plate by doctor-blade technique to get photoanodes. The electrical performance of these photoanodes especially photocurrent generation was investigated under standard AM 1.5 one sun illuminations. The highest photoconversion efficiency was attained for 3\% Mn-doped ZnO photoanode after xanthene-based organic dye sensitization with output efficiency (eta\%) of 0.25\% higher than 0.03\% of bare ZnO. The comparable ionic radii with exactly half-filled 3d orbital simply overlap with the ZnO valence bond responsible for enhanced overall structural and optical properties that beneficial for DSSCs performance.

}, keywords = {gel, Mixed dye, Mn-doped ZnO, Photoelectrochemical cell, Sol\&\#8211}, issn = {2585-7290}, doi = {10.1007/s11696-021-01615-w, Early Access Date = APR 2021}, author = {Kumbhar, Deepak and Delekar, Sagar and Kumbhar, Sarita and Dhodamani, Ananta and Harale, Namdev and Nalawade, Rekha and Nalawade, Avinash} } @article {47666, title = {Effect of Mn2+ substitution into the hst lattice of ZnO via sol-gel route for boosting the dye-sensitized solar cells performance (Apr, 10.1007/s11696-021-01615-w, 2021)}, journal = {Chemical Papers}, volume = {75}, year = {2021}, month = {AUG}, pages = {4019}, type = {Correction}, issn = {2585-7290}, doi = {10.1007/s11696-021-01658-z}, author = {Kumbhar, Deepak and Delekar, Sagar and Kumbhar, Sarita and Dhodamani, Ananta and Harale, Namdev and Nalawade, Rekha and Nalawade, Avinash} } @article {47109, title = {Efficient catalytic transfer hydrogenation-hydrodeoxygenation of lignin derived monomers: investigating catalyst properties-activity correlation}, journal = {Catalysis Communications}, volume = {149}, year = {2021}, month = {JAN }, pages = {106220}, type = {Article}, abstract = {

Reduction of O/C ratio of lignin derived monomers via hydrodeoxygenation (HDO) pathway is conventionally furnished using molecular hydrogen under severe conditions. Nonetheless, due to a prerequisite to accomplish HDO through commercially attractive methodology we report, HDO reactions of various phenolic compounds via catalytic transfer hydrogenation (CTH) pathway using very low loading of Ru (0.5 wt\%) on neutral and acidic Al2O3 under nitrogen atmosphere. With guaiacol as a substrate, 74\% cyclohexanol yield at 225 degrees C in the presence of IPA is realized. Bi-functionality of metal state, acidity of support and nature of alcohol are perceived to be responsible for the variation in activity.

}, keywords = {Catalytic transfer hydrogenation (CTH), Cyclohexanol, Hydrodeoxygenation, lignin, Supported metal catalysts}, issn = {1566-7367}, doi = {10.1016/j.catcom.2020.106220}, author = {Singh, Dheerendra and Dhepe, Paresh L.} } @article {47110, title = {Efficient electrochemical oxygen reduction to hydrogen peroxide by transition metal-doped silicate Sr0.7Na0.3SiO3-delta}, journal = {ACS Applied Materials \& Interfaces}, volume = {13}, year = {2021}, month = {JAN}, pages = {382-390}, type = {Article}, abstract = {

Electrochemical oxygen reduction in a selective two-electron pathway is an efficient method for onsite production of H2O2. State of the art noble metal-based catalysts will be prohibitive for widespread applications, and hence earth-abundant oxide-based systems are most desired. Here we report transition metal (Mn, Fe, Ni, Cu)-doped silicates, Sr0.7Na0.3SiO3-delta, as potential electrocatalysts for oxygen reduction to H2O2 in alkaline conditions. These novel compounds are isostructural with the parent Sr0.7Na0.3SiO3-delta and crystallize in monoclinic structure with corner-shared SiO4 groups forming cyclic trimers. The presence of Na stabilizes O vacancies created on doping, and the transition metal ions provide catalytically active sites. Electrochemical parameters estimated from Tafel and Koutechy-Levich plots suggest a two-electron transfer mechanism, indicating peroxide formation. This is confirmed by the rotating ring disc electrode method, and peroxide selectivity and Faradaic efficiency are calculated to be in the range of 65-82\% and 50-68\%, respectively, in a potential window 0.3 to 0.6 V (vs RHE). Of all the dopants, Ni imparts the maximum selectivity and efficiency as well as highest rate of formation of H2O2 at 1.65 mu mol s(-1).

}, keywords = {H2O2, mixed metal oxide, ORR, silicate}, issn = {1944-8244}, doi = {10.1021/acsami.0c16311}, author = {Thundiyil, Shibin and Kurungot, Sreekumar and Devi, R. Nandini} } @article {46895, title = {Eichhornia crassipes mediated bioinspired synthesis of crystalline nano silver as an integrated medicinal material: a waste to value approach}, journal = {Journal of Cluster Science}, volume = {32}, year = {2021}, month = {MAR}, pages = {391-404}, type = {Article}, abstract = {

The present study deals with the synthesis of silver nanoparticles from Eichhornia crassipes. Dynamic light scattering (DLS), Transmission electron microscopy (TEM), UV-Vis spectroscopy, Fourier Transform Infrared (FTIR) spectroscopy and X-ray diffraction (XRD) were performed for nanoparticle characterization. The aqueous plant extract of Eichhornia crassipes was phytochemically analyzed for phenol, flavonoid, reducing sugar content, alkaloids, saponins and carotenoids. The synthesized particles after optimization of important parameters have an average diameter of 12.48 +/- 3.43 nm with a spherical morphology and zeta potential of - 31.53 mV. At 100 mu g/ml of nanoparticle concentration, the antioxidant activity of 93.6\% was observed. MIC (Minimum inhibitory concentration) values exhibiting the antimicrobial attributes reported an estimated value of 7.8 mu g/ml for gram-negative and higher values of 31.25 and 250 mu g/ml for gram-positive bacteria. The antibiofilm assay showed 86.89\% and 74.7\% of the reduction in violacein synthesis and biofilm inhibition respectively at 15 mu g/ml nanoparticle concentration. The anticancer assay reported the IC50 (Inhibitory concentration) values of 13.32, 14.71 and 19.91 mu g/ml for HeLa, HCT 116 and L6 cell lines respectively. Thus the study establishes a significant integrative treatment to combat secondary infections in cancer patients. Graphic

}, keywords = {antibacterial activity, Antibiofilm activity, Anticancer activity, Antioxidant activity, Eichhornia crassipes, silver nanoparticles}, issn = {1040-7278}, doi = {10.1007/s10876-020-01797-5, Early Access Date = APR 2020}, author = {Moudgil, Aliesha and Deval, Animesh S. and Dharne, Mahesh S. and Sarkar, Dhiman M. and Choudhari, Amit S. and Chaudhari, Bhushan P.} } @article {47774, title = {Electrocatalytic nitrogen reduction directed through the p-band center of boron on BSAC@Mo2C}, journal = {Materials Advances}, year = {2021}, month = {NOV}, type = {Article}, abstract = {Greener modes of ammonia synthesis via the electrocatalytic route have been investigated on pristine and defective Mo2C based monolayers anchored with metal-free boron atom catalysts. Boron single atom catalysts (SACs) on the defective Mo2C monolayer has been found to activate N2 strongly with an adsorption energy of -1.92 eV and reduce it to NH3 efficiently with a significantly low overpotential of 0.41 eV. The exothermic adsorption of N2 and low overpotential for the nitrogen reduction reduction (NRR) appertain to the p-band center of the boron atom catalyst and charge transfer between the adsorbed N2 and the catalyst, respectively. This work brings forth the correlation between electron occupancy on the boron center and NRR catalytic efficiency on a metal-free SACs@Mo2C monolayer couple, thereby serving as a lead in designing metal free electrocatalysts for the NRR.}, doi = {10.1039/D1MA00953B}, author = {Maibam, Ashakiran and Krishnamurty, Sailaja and Dar, Manzoor Ahmad} } @article {47439, title = {Elucidating the effect of solid base on the hydrogenation of C5 and C6 sugars over Pt{\textendash}Sn bimetallic catalyst at room temperature}, journal = {Carbohydrate Research}, volume = {505}, year = {2021}, month = {JUL}, pages = {108341}, type = {Article}, abstract = {

Conversion of sugars into\ sugar alcohols\ at room temperature with exceedingly high yields are achieved over Pt{\textendash}Sn/γ-Al2O3\ catalyst in the presence of calcined\ hydrotalcite. pH of the reaction mixture significantly affects the conversion and selectivity for sugar alcohols. Selection of a suitable base is the key to achieve optimum yields. Various solid bases in combination with Pt{\textendash}Sn/γ-Al2O3\ catalysts were evaluated for hydrogenation of sugars. Amongst all combinations, the mixture (1:1\ wt/wt) of Pt{\textendash}Sn/γ-Al2O3\ and calcined hydrotalcite showed the best results. Hydrotalcite helps to make the pH of reaction mixture alkaline at which sugar molecules undergo ring opening. The sugar molecule in open chain form has\ carbonyl group\ which can be polarized by Sn in Pt{\textendash}Sn/γ-Al2O3\ and Pt facilitates the hydrogenation. In the current work, effect of both; solid base and Sn as a promoter has been studied to improve the yields of sugar alcohols from various C5 and C6 sugars at very mild reaction conditions.

}, keywords = {Bimetallic catalyst, Hydrogenation, Hydrotalcites, Sugar, Sugar alcohols}, issn = {0008-6215}, doi = {10.1016/j.carres.2021.108341}, author = {Tathod, Anup P. and Dhepe, Paresh L.} } @article {47135, title = {Energy and life cycle impact assessment for xylitol production from corncob}, journal = {Journal of Cleaner Production}, volume = {278}, year = {2021}, month = {JAN }, pages = {123217}, type = {Article}, abstract = {

The conversion of biobased feedstocks into energy and value-added chemicals is one main approach to address the current global challenge for waste mitigation through the biorefinery mode. Corncob biomass which is one of the most abundant agricultural residue in India with a high hemicellulose content, can serve as a potential low-cost raw material for food-grade xylitol production. The present study demonstrates a process for xylitol production from corncob biomass with detailed energy and life cycle analysis for viability assessment. The major highlight of the process is the use of microbial fermentation, where biomass-derived D-xylose is converted to xylitol with high selectivity. Overall, 0.502 kg of xylitol crystals could be produced from 3.5 kg of corncob biomass. Simulation analysis revealed that the evaporators are the primary consumers of energy, and the process of heat integration can significantly reduce the energy requirements of the overall process. Environmental impacts of the system evaluated showed emission results of 8.68 kg CO2 equivalent and revealed that marine aquatic and freshwater eco-toxicity are the only possible contributors to the environment. The results suggest that the process would have favourable energy balances, which can be used in pilot plant and heat exchanger network design and operation for xylitol production scale up to 500 L. (C) 2020 Elsevier Ltd. All rights reserved.

}, keywords = {biomass valorization, Life cycle impact assessment, simulation, xylitol}, issn = {0959-6526}, doi = {10.1016/j.jclepro.2020.123217}, author = {Dasgupta, Diptarka and Sidana, Arushdeep and Ghosh, Prasenjit and Sharma, Tripti and Singh, Jasvinder and Prabhune, Asmita and More, Snehal and Bhaskar, Thallada and Ghosh, Debashish} } @article {47738, title = {Engineering microstructure of LiFe(MoO4)(2) as an advanced anode material for rechargeable lithium-ion battery}, journal = {Journal of Materials Science-Materials In Electronics}, volume = {32}, year = {2021}, month = {OCT}, pages = {24273-24284}, type = {Article}, abstract = {Graphite is considered as an ideal anode material for lithium-ion battery (LIB) due to its high stability, good conductivity and wide source of availability. However, the low energy density and theoretical capacity of graphite cannot meet the needs of high performance anode materials. To circumvent this issue, alternative materials have been sought for many years now. Herein, we report the synthesis of highly crystalline lithium iron molybdate LiFe(MoO4)(2) by combustion method and evaluated its performance as an anode material for lithium-ion batteries. Triclinic LiFe(MoO4)(2) crystals having particle size 2-5 mu m with good crystallinity were obtained. The material shows long cycle life and high rate performance than commercial graphite and exhibits first reversible discharge capacity of 931.6 mAh/g at a current density of 100 mA/g which is three times higher than commercial graphite. The high specific capacity together with the outstanding rate and cycle performance makes LiFe(MoO4)(2) a promising anode material for LIB. A detailed analysis on the crystal structure and electronic properties of LiFe(MoO4)(2) is presented based on DFT studies to complement the experimental observations.}, issn = {0957-4522}, doi = {10.1007/s10854-021-06892-5}, author = {Tamboli, Asiya M. and Tamboli, Mohaseen S. and Dwivedi, Pravin Kumari and Praveen, C. S. and Karbhal, Indrapal and Shelke, V, Manjusha and Kim, Bomyung and Park, Chinho and Kale, Bharat B.} } @article {47389, title = {Enhanced photocatalytic properties of a chemically modified blue phosphorene}, journal = {RSC Advances }, volume = {11}, year = {2021}, month = {APR }, pages = {13348-13358}, type = {Article}, abstract = {

It is high time to placate the peak demand for an efficient, economic and green fuel in the form of H-2 through photocatalytic water splitting. Several low dimensional materials have been explored for their photocatalytic properties on account of their surface to volume ratio. The present study illustrates the excellent photocatalytic potential of a two-dimensional material, viz. a chemically tempered blue-phosphorene sheet, with single atom thickness and high carrier mobility. Metal-free element, sulphur, is explored as a dopant in a 32-atom blue-phosphorene sheet. The dopant is inserted at three locations viz. central, edge and central edge positions with varying concentrations from 3.125\% to 18.75\% (corresponding to n = 1 to 6 sulphur atoms within a 32-atom blue-phosphorene sheet, P32-nSn). The cohesive energy studies predict the higher stability of even number S doped sheets as compared to their odd counterparts. Photocatalytic activity is studied in terms of band gap and band alignment for different concentrations of the former. Studies reveal that edge doping demonstrates better water molecule activation independent of S atom concentration. The edge doped systems not only provide the chemical activity to activate water, but also show feasible HER overpotentials of 1.24-1.29 eV at neutral medium. Finally, this work opens up a driving lead of non-corrosive catalysts for water molecule splitting.

}, doi = {10.1039/d0ra10829d}, author = {Maibam, Ashakiran and Das, Sawan Kumar and Samal, Pragnya Paramita and Krishnamurty, Sailaja} } @article {46669, title = {Enhanced photoelectrochemical cell performance of Co doped ZnO nanoparticles sensitized by affordable mixed dyes as sensitizer}, journal = {Inorganic and Nano-Metal Chemistry}, volume = {51}, year = {2021}, month = {SEP}, pages = {1258-1271}, type = {Article}, abstract = {

In the present investigation, a simple sol-gel approach has been employed for the synthesis of hexagonal wurtzite ZnO nanoparticles (NPs). X-ray diffraction (XRD) rietveld study and Raman analysis reveal the mislaid of the mixed phases of ZnO NPs after doping. The scanning electron micrographs and transmission electron microscopy confirm the formation of hexagonal disk-shaped NPs. FTIR, PL, EDX, XPS validate optical and stoichiometric concentration of Co in ZnO lattice. UV-visible DRS study shows absorption edge with humps to the red region of the spectrum with increasing the absorption strength and shortening of band gap as the content of Co (II) increases. Finally, the prepared samples were coated on the surface of cleaned FTO substrate through a simple doctor blade technique and sensitized with prepared dye. The ZnO photoanode shows 0.036\% of efficiency (eta\%) while the photoanodes of Co doped samples expose the enhanced efficiencies of 0.29\%, 0.389\%, 0.089\%.

}, keywords = {Co doped ZnO, mixed dyes as sensitizer, Photoelectrochemical cell, sol-gel}, issn = {2470-1556}, doi = {10.1080/24701556.2020.1835963}, author = {Kumbhar, Deepak and Kumbhar, Sarita and Dhodamani, Anant and Delekar, Sagar and Harale, Namdev and Nalawade, Rekha and Nalawade, Avinash} } @article {47454, title = {Evidence of an nN(amide) {\textrightarrow} π*Ar interaction in N-Alkyl-N,N'-diacylhydrazines}, journal = {Organic letters}, volume = {23}, year = {2021}, month = {MAY}, pages = {7003-7007}, type = {Article}, abstract = {

1,2-Dibenzoyl-1-tert-butylhydrazine (RH-5849) and related\ N-alkyl-N,N'-diacylhydrazines are environmentally benign insect growth regulators. Herein, we show that an unusual nN(amide) {\textrightarrow} π*Ar\ interaction mediated by a hydrazide amide nitrogen atom plays a crucial role in stabilizing their biologically active trans{\textendash}cis (t{\textendash}c) rotameric conformations. We provide NMR and IR spectroscopic evidence for the presence of these interactions, which is also supported by X-ray crystallographic and computational studies.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.1c00834}, author = {Deka, Jugal Kishore Rai and Sahariah, Biswajit and Sakpal, Sushil S. and Bar, Arun Kumar and Bagchi, Sayan and Sarma, Bani Kanta} } @article {47501, title = {Excimer to exciplex transition through realization of donor-acceptor interactions in luminescent solvent-free liquids}, journal = {Nanoscale}, volume = {13}, year = {2021}, month = {JUN}, pages = {10780-10784}, type = {Article}, abstract = {Luminescent solvent-free organic liquids are known for their enhanced quantum yield, color tunability, and availability of a matrix for other dopants to generate hybrid luminescent materials with improved features for newer applications. Herein, we report a donor-acceptor based luminescent {\textquoteleft}{\textquoteleft}exciplex liquid{\textquoteright}{\textquoteright} by utilizing the slightly different electron affinity of the acceptor molecules. A red-shifted broad exciplex emission exhibited by the donor-acceptor pair even at a lower concentration of the acceptor (0.001 equiv.) indicates high efficiency in the solvent-free state. A detailed NMR study revealed weak intermolecular interactions between the donor and acceptor in the solvent-free matrix that stabilizes the exciplex liquid. The failure of structurally similar solid counterparts to form an exciplex confirms the advantage of the available supportive liquid matrix. Besides, the luminescent exciplex liquid is found efficient in sensing application, which is unachievable by either the individual liquids or their solid counterparts. Here, a transition of a donor-acceptor pair from a solid to solvent-free liquid results in a new hybrid liquid that can be an alternative for solid sensor materials.}, issn = {2040-3364}, doi = {10.1039/d1nr02190g, Early Access Date = MAY 2021}, author = {Wakchaure, Vivek Chandrakant and Goudappagouda and Das, Tamal and Ravindranathan, Sapna and Babu, Sukumaran Santhosh} } @article {47111, title = {Expression, purification and crystallization of Asrij, A novel scaffold transmembrane protein}, journal = {Journal of Membrane Biology}, volume = {254}, year = {2021}, month = {FEB}, pages = {65-74}, type = {Article}, abstract = {

Asrij/OCIAD1 is a scaffold transmembrane protein belonging to the Ovarian Carcinoma Immunoreactive Antigen Domain containing protein family. In Drosophila and mouse models, Asrij localizes at the endosomal and mitochondrial membrane and is shown to regulate the stemness of hematopoietic stem cells. Interaction of Asrij with ADP Ribosylation Factor 1 (Arf1) is shown to be crucial for hematopoietic niche function and prohemocyte maintenance. Here, we report the heterologous expression, standardization of detergents and purification methodologies for crystallization of Asrij/OCIAD1. To probe the activity of bacterially expressed Asrij, we developed a protein complementation assay and conclusively show that Asrij and Arf1 physically interact. Further, we find that sophorolipids improve the solubility and monodispersibility of Asrij. Hence, we propose that sophorolipids could be novel additives for stabilization of membrane proteins. To our knowledge, this is the first study detailing methodology for the production and crystallization of a heterologously expressed scaffold membrane protein and will be widely applicable to understand membrane protein structure and function. Graphic

}, keywords = {Asrij/OCIAD1, Membrane protein crystallography, sophorolipids}, issn = {0022-2631}, doi = {10.1007/s00232-020-00166-7, Early Access Date = JAN 2021}, author = {Motiwala, Zenia and Darne, Priti and Prabhune, Asmita and Inamdar, Maneesha S. and Kulkarni, Kiran} } @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 {47384, title = {Facile access to functional polyacrylates with dual stimuli response and tunable surface hydrophobicity}, journal = {Polymer Chemistry}, volume = {12}, year = {2021}, month = {MAY }, pages = {3042-3051}, type = {Article}, abstract = {

Magnetically separable and reusable Ni-Co alloy nanoparticles were employed to achieve ambient temperature reversible deactivation radical polymerization (RDRP) of methyl acrylate (MA), for the first time, yielding well-defined PMA (at least up to 124 500 g mol(-1)) with a low dispersity (D \<= 1.20). The controlled polymerization character of RDRP of MA was confirmed from the linear semilogarithmic plot exhibiting pseudo first order kinetics, a linear increase of the molecular weight of the polymer with monomer conversion maintaining low D and the synthesis of PMAs of varying molecular weights from 2200 to 124 500 g mol(-1) with low D. In addition, linear PMA-Br was used as a macroinitiator for the synthesis of several well-defined PMA-b-poly(M) block copolymers (where {\textquoteleft}{\textquoteleft}M{\textquoteright}{\textquoteright} stands for (2-dimethylamino)ethyl methacrylate (DMAEMA), tert-butyl methylacrylate (TBMA) and 2,2,3,3,4,4,5,5-octafluoropentyl acrylate (OFPA)), with acceptable Ds (\<= 1.24), demonstrating the high chain-end fidelity of the macroinitiator. The synthesized PMA-b-PDMAEMA demonstrated dual pH- and thermo-responsive properties. Upon hydrolysis, the synthesized PMA-b-PTBMA leads to the formation of unprecedented carboxylic acid-functionalized PMA derivatives. PMA-b-POFPA copolymers with varying OFPA mol\% in the copolymer led to polymers with tunable surface hydrophobicity, as revealed by the water contact angle measurements.

}, issn = {1759-9954}, doi = {10.1039/d1py00378j, Early Access Date = APR 2021}, author = {Mohammad, Sk Arif and Dolui, Subrata and Kumar, Devendra and Mane, Shivshankar R. and Banerjee, Sanjib} } @article {47747, title = { Flexible energy harvester from an organic ferroelectric ammonium salt}, journal = {Chemistry-An Asian Journal}, volume = {16}, year = {2021}, month = {DEC }, pages = {4122-4129}, type = {Article}, abstract = {Organic ferroelectrics due to their low cost, easy preparation, light weight, high flexibility and phase stability are gaining tremendous attention in the field of portable electronics. In this work, we report the synthesis, structure and ferroelectric behavior of a two-component ammonium salt 2, containing a bulky [Bn(4-BrBn)NMe2](+) (Bn=benzyl and 4-BrBn=4-bromobenzyl) cation and tetrahedral (BF4)(-) anion. The structural analysis revealed the presence of rich non-classical C-H...F and C-H...Br interactions in this molecule that were quantified by Hirshfeld surface analysis. The polarization (P) vs. electric field (E) hysteresis loop measurements on 2 gave a remnant polarization (P-r) of 14.4 mu C cm(-2) at room temperature. Flexible polymer composites with various (5, 10, 15 and 20) weight percentages (wt\%) of 2 in thermoplastic polyurethane (TPU) were prepared and tested for mechanical energy harvesting applications. A notable peak-to-peak output voltage of 20 V, maximum current density of 1.1 mu A cm(-2) and power density of 21.1 mu W cm(-2) were recorded for the 15 wt\% 2-TPU composite device. Furthermore, the voltage output generated from this device was utilized to rapidly charge a 100 mu F capacitor, with stored energies and measured charges of 156 mu J and 121.6 mu C, respectively.}, keywords = {Dielectric, energy harvesting, ferroelectricity, organic composites, piezoelectric}, issn = {1861-4728}, doi = {10.1002/asia.202101128}, author = {Gupta, Rishabh and Sahoo, Supriya and Deswal, Swati and Kothavade, Premkumar and Dixit, Prashant and Zareba, Jan K. and Shanmuganathan, Kadhiravan and Boomishankar, Ramamoorthy} } @article {47132, title = {Functional metagenomic landscape of polluted river reveals potential genes involved in degradation of xenobiotic pollutants}, journal = {Environmental Research}, volume = {192}, year = {2021}, month = {JAN}, pages = {110332}, type = {Article}, abstract = {

Rapid industrialization contributes substantially to xenobiotic pollutants in rivers. As a result, most of the rivers traversing urban settlements are in significantly deteriorated conditions. These pollutants are recalcitrant, requiring robust catabolic machinery for their complete transformation into bioavailable and non-toxic byproducts. Microbes are versatile dwellers that could adapt to such contaminants by using them as a source of nutrients during growth. However, efficient bioremediation requires an in-depth knowledge of microbial diversity and their metabolism related genes in the polluted niches. We employed MinION shotgun sequencing, to comprehend the biodegradation related genes and their function potential operating in the polluted urban riverine system of Western India. A vast number of catabolic genes were detected for the xenobiotic pollutants such as Benzoate, Nitrotoluene, Aminobenzoate, Drug metabolism, and Polycyclic Aromatic Hydrocarbons. Aerobic, and anaerobic catabolism genes, were mapped for their ability of degradation of xenobiotics. Interestingly, catabolism profiles of multiple aromatic compounds culminated into the Benzoate degradation pathway, suggesting it as a plausible central pathway for the autochthonous bacterial communities. Further mapping with RemeDB database, predicted plastic and dye degrading enzymes. Moreover, the diversity indices for the pollutant degrading enzymes suggested little variations (R-2 value of 18\%) between the city and non-city (outskirts of city limits) riverine stretch indicating the impact of industrialization in the outskirts of the city stretch as well. Altogether, this study would serve as a preliminary baseline for future explorations concerning river cleaning programs and also exploiting such microbes for bioremediation applications.

}, keywords = {Benzoate, Bioremediation, MinION, Riverine system, Xenobiotics}, issn = {0013-9351}, doi = {10.1016/j.envres.2020.110332}, author = {Yadav, Rakeshkumar and Rajput, Vinay and Dharne, Mahesh} } @article {47653, title = {Glycerol-triazole conjugated rhodamine as colorimetric and fluorimetric sensor for Cu2+}, journal = {ChemistrySelect}, volume = {6}, year = {2021}, month = {SEP}, pages = {9288-9292}, type = {Article}, abstract = {{A glycerol-triazole tethered rhodamine based colorimetric and fluorimetric sensor 3 {\textquoteleft},6 {\textquoteleft}-bis(diethylamino)-2-(((1-(1,3-dihydroxypropan-2-yl)-1H-1,2,3-triazol-4 -yl)methylene)aminospiro [isoindoline-1,9 {\textquoteleft}-xanthen]-3-one (L1) is designed and synthesized for the selective recognition of Cu2+ ion. The sensor L1 allows naked eye detection of Cu2+ ion with a fast response (<1 min). Among the various metal ions tested, the sensor L1 shows selective binding with Cu2+ through turn-on fluorescence mechanism. The sensor shows 1 : 2 binding stoichiometry with binding constant}, keywords = {Cu2+ Sensor, DFT, Glycerol, Rhodamine B, Triazole}, issn = {2365-6549}, doi = {10.1002/slct.202102145}, author = {Verma, Abhishek and Gahlyan, Parveen and Bawa, Rashim and Dash, Soumya Ranjan and Prasad, Ashok K. and Kumar, Rakesh} } @article {47351, title = {Gold-catalysed nitroalkyne cycloisomerization - synthetic utility}, journal = {Chemical Record}, volume = {21}, year = {2021}, month = {DEC}, type = {Article}, abstract = {

The gold-catalysed intramolecular redox cyclization of o-alkynylnitrobenzens documented by Professors Naoki Asao and Yoshinori Yamamoto is an important discovery that has opened two complementary research domains. Advancing this cyclization with other metals as well as developing new methods around the products that result from this reaction is one aspect that has seen growing interest. On the other hand, the idea of generating alpha-oxo gold carbenes via oxygen transfer to alkynes has established another important aspect in gold-catalysis. In this account, we will be dealing with the first aspect, which revolves around the internal redox cyclization of nitroalkynes (trivially called as nitroalkyne cycloisomerization), focusing mainly on the gold-complexes and the synthetic methods developed around it from our group and from other groups, and also providing the details of similar transformations documented with other metals so that the complementary reactivity/diversity of these transformations could be appreciated.

}, keywords = {alpha-Oxo Gold Carbene, Anthranil, Gold-catalysis, Internal Redox Cyclization, Isatogen}, issn = {1527-8999}, doi = {10.1002/tcr.202100111, Early Access Date = JUN 2021}, author = {Dhote, Pawan S. and Halnor, Swapnil V. and Ramana, Chepuri V.} } @article {47646, title = {Gold-catalyzed complementary nitroalkyne internal redox process: a DFT study}, journal = {Frontiers in Chemistry}, volume = {9}, year = {2021}, month = {JUL}, pages = {689780}, type = {Article}, abstract = {Gold-catalysis, in this century, is one of the most emerging and promising new areas of research in organic synthesis. During the last two decades, a wide range of distinct synthetic methodologies have been unveiled employing homogeneous gold catalysis and aptly applied in the synthesis of numerous natural products and biologically active molecules. Among these, the reactions involving alpha-oxo gold carbene/alpha-imino gold carbene intermediates are of contemporary interest, in view of their synthetic potential and also due to the need to understand the bonding involved in these complexes. In this manuscript, we document the theoretical investigations on the regio-selectivity dependence of substitution on the gold-catalyzed cycloisomerization of o-nitroarylalkyne derivatives. We have also studied the relative stabilities of alpha-oxo gold carbene intermediates.}, keywords = {alpha-Oxo Gold Carbene, cycloisomerization, DFT calculation, Gold-catalysis, internal redox}, issn = {2296-2646}, doi = {10.3389/fchem.2021.689780}, author = {Vipin Raj, K. and Dhote, Pawan S. S. and Vanka, Kumar and Ramana, Chepuri V. V.} } @article {47093, title = {Herbicidal bio-assay of isocladosporin enantiomers and determination of its plausible absolute configuration}, journal = {Journal of Antibiotics}, volume = {74}, year = {2021}, month = {APR}, pages = {280-284}, type = {Article}, abstract = {

A fungal metabolite, isocladosporin was isolated from natural fungus, Cladosporium cladosporioides in the mid of 90s. Due to the lack of optical rotation of isolated natural product sample, the absolute configuration of the natural product remained undetermined for more than two decades. Herein, we demonstrated an SAR study of enantiomers of isocladosporin in herbicidal bio-assay against wheat coleoptile. Using this study as a comparative tool we further proposed the plausible absolute configuration of natural isocladosporin for the first time. The assigned configuration was also supported through biogenetic precursors.

}, issn = {0021-8820}, doi = {10.1038/s41429-020-00391-1, Early Access Date = FEB 2021}, author = {Mankad, Yash and Das, Pronay and Pathan, Ejaj and Deshpande, V. M. and Reddy, D. Srinivasa} } @article {47313, title = {Heterogeneous nucleation in citrate synthesis of AgNPs: effect of mixing and solvation dynamics}, journal = {Chemical Engineering Journal}, volume = {421}, year = {2021}, month = {OCT}, type = {Article}, abstract = {

The heterogeneity issues in silver nanoparticle nucleation (Lee-Meisel route) have been investigated. The final polydispersity and sphericity of the nanoparticles in the Lee-Meisel scheme are shown to depend upon the early time dynamics of silver-citrate complexation. The formation of macromolecular intermediary complexes in the early stages of the reaction is visualized based on online DLS data, TEM analysis, and the mass balances of silver and citrate ions. The reversible complexation between citrate ions and silver citrate is shown to be the limiting step that governs the directional growth of the nanoparticles. The dynamics of the complexation of citrate are seen to form a very rapid step and intense mixing was required for the complexation to happen uniformly across the reaction. This specific observation is also confirmed from the MD simulations. Thus, to get particles of high sphericity, irrespective of the reaction concentration, temperature, or reactor geometry, the mixing time should be \<4\ s and\ Da\ ~\ 0.1. Optimal mixing conditions for isotropic growth are suggested based on the reaction kinetics and are also demonstrated with experimental evidence.

}, doi = {10.1016/j.cej.2020.127753}, author = {Deshpande, J. B. and Chakrabarty, S. and Kulkarni, A. A.} } @article {47131, title = {High efficiency lithium storage in 3D composite foam of Co3O4 nanoparticles integrated carbon nanohorns}, journal = {Materials Science and Engineering B-Advanced Functional Solid-State Materials}, volume = {263}, year = {2021}, month = {JAN}, pages = {114839}, type = {Article}, abstract = {

A well-designed 3 dimensional (3D) nanocomposite foam of Co3O4 nanoparticles and functionalized carbon nano horns (CNH) is prepared by feasible wet chemistry followed by lyophilization. This 3D nanocomposite foam is evaluated electrochemically as anode material for lithium-ion battery (LIB). 3D hierarchical mesoporous hybrid of functionalized carbon nano horn-Co3O4 (CCO) shows excellent lithium storage properties with long cycle life due to high surface area, good conductivity, 3D interconnected mesoporous structure, mechanical and chemical stability and shortened diffusion path length for Li+ ions during lithiation-delithiation. The Co3O4 nanoparticles incorporated into interconnected CNH foam effectively increases the number of active sites of CCO nanocomposite and consequently increase in the reversible specific capacity and coulombic efficiency. Different compositions of CNH foam with Co3O4 nanoparticles are prepared, among which the CCO 1:1 foam displays reversible capacity of 797 mAhg1 at current density of 0.1 Ag-1 along with excellent rate performance. High specific capacity of around 702 mAhg(-1) is obtained even at the current density of 5 Ag-1.

}, keywords = {3D CCO foam, carbon nanohorns, Excellent rate capability, Li ion diffusion coefficient, Long Cycle life}, issn = {0921-5107}, doi = {10.1016/j.mseb.2020.114839}, author = {Dwivedi, Pravin K. and Parte, Golu and Thripuranthaka, M. and Shelke, Manjusha V.} } @article {47335, title = {Highly efficient and extremely simple protocol for the oxidation α-hydroxyphosphonates to α-ketophosphonates using Dess-Martin periodinane}, journal = {ARKIVOC}, volume = {4}, year = {2021}, month = {JAN}, type = {Article}, doi = {10.24820/ark.5550190.p011.213}, author = {Kupwade, Ravindra and Mitragotri, Satish D. and Kulkarni, Makarand A. and Desai, Uday V. and Wadagaonkar, Prakash P.} } @article {47424, title = {Hydrogenolysis of glycerol in an aqueous medium over Pt/WO3/zirconium phosphate catalysts studied by H-1 NMR spectroscopy}, journal = {New Journal of Chemistry}, volume = {45}, year = {2021}, month = {MAR}, pages = {5013-5022}, type = {Article}, abstract = {

Bifunctional Pt/WO3/zirconium phosphate catalyzes the liquid-phase hydrogenolysis of glycerol in an aqueous medium. H-1 NMR spectroscopy (solvent suppression pulse program) is employed to monitor this reaction. Propanediols (1,3 + 1,2-PDO) formed as the major product along with propanols (1- and 2-POs) as the minor product. A synergistic enhancement in glycerol conversion and selectivity to 1,3-PDO was observed when both Pt and WO3 were present in the catalyst. A volcano-shape variation of catalytic activity with W content was observed. A catalyst with 8 wt\% W and 1 wt\% Pt exhibited the highest selective hydrogenolysis performance (glycerol conversion = 92.3\% and total PDOs selectivity = 45.9\% and 1,3-PDO selectivity = 20.8\% at 200 degrees C). Dispersed Pt in contact with polytungstate-type WO3 species was found to be the active catalytic site. H-1 NMR spectroscopy is demonstrated as an attractive technique to quantify the products of a glycerol hydrogenolysis reaction.

}, issn = {1144-0546}, doi = {10.1039/d0nj05557c}, author = {Bhowmik, Susmita and Enjamuri, Nagasuresh and Darbha, Srinivas} } @article {47455, title = {Hydrophilic 3D interconnected network of bacterial nanocellulose/black titania photothermal foams as an efficient interfacial solar evaporator}, journal = {ACS Applied Bio Materials}, volume = {4}, year = {2021}, month = {APR}, pages = {4373{\textendash}4383}, type = {Article}, abstract = {

The design and development of scalable, efficient photothermal evaporator systems that reduce microplastic pollution are highly desirable. Herein, a sustainable bacterial nanocellulose (BNC)-based self-floating bilayer photothermal foam (PTFb) is designed that eases the effective confinement of solar light for efficient freshwater production via interfacial heating. The sandwich nanoarchitectured porous bilayer solar evaporator consists of a top solar-harvesting blackbody layer composed of broad-spectrum active black titania (BT) nanoparticles embedded in the BNC matrix and a thick bottom layer of pristine BNC for agile thermal management, the efficient wicking of bulk water, and staying afloat. A decisive advantage of the BNC network is that it enables the fabrication of a lightweight photothermal foam with reduced thermal conductivity and high wet strength. Additionally, the hydrophilic three-dimensional (3D) interconnected porous network of BNC contributes to the fast evaporation of water under ambient solar conditions with reduced vaporization enthalpy by virtue of intermediated water generated via a BNC{\textendash}water interaction. The fabricated PTFb\ is found to yield a water evaporation efficiency of 84.3\% (under 1054 W m{\textendash}2) with 4 wt \% BT loading. Furthermore, scalable PTFb\ realized a water production rate of 1.26 L m{\textendash}2\ h{\textendash}1\ under real-time conditions. The developed eco-friendly BNC-supported BT foams could be used in applications such as solar desalination, contaminated water purification, extraction of water from moisture, etc., and thus could address one of the major present-day global concerns of drinking water scarcity.

}, doi = {10.1021/acsabm.1c00143}, author = {Nabeela, Kallayi and Thorat, Meghana and Sumina, N. B. and Ramachandran, Animesh M. and Thomas, Reny Thankam and Preethikumar, Gopika and Mohamed, A. Peer and Asok, Adersh and Dastager, Syed Gulam and Pillai, Saju} } @article {47355, title = {Imidazole/4,4 {\textquoteleft}-azopyridine bridging binuclear Ru(II) complexes: design, synthesis, bimolecular interactions and cytotoxicity against HeLa cell line}, journal = {Journal of the Iranian Chemical Society}, volume = {18}, year = {2021}, month = {DEC}, type = {Article}, abstract = {

Binuclear Ru(II)-arene complexes [(eta(6)-pcym)(Flq)Ru(mu-im/mu-azpy)Ru(Flq)(eta(6)-p-cym)]Cl (C1-C8) (cym = cymene; Flq = fluoroquinolones; im = imidazole; azpy = 4,4 {\textquoteleft} azo pyridine) have been synthesized and characterized by elemental analysis, molar conductivity and various spectral techniques (ESI-MS, IR, UV-Vis and H-1-NMR). The geometry of the complexes was optimized by DFT calculations, which revealed a pseudo-octahedral coordination around each metal centre. Binding of the synthesized complexes with CT-DNA and BSA was studied spectroscopically, and it has been established that the presence of two hydrophobic planar arene moieties enhances the binding efficacies of the binuclear complexes to the macromolecules, compared to their mononuclear analogues. The results of competitive binding between C1-C8 and ethidium bromide (EB) towards DNA have shown that the complexes are able to displace EB from DNA-EB adduct and interact with DNA via intercalation. The complexes display cytotoxicity against the HeLa human cervical cancer cell lines with IC50 values in the range of 30.1-120.9 mu M.

}, keywords = {Binuclear ruthenium (II) complexes, BSA binding interactions, DFT calculations, DNA, Fluoroquinolones (FQs), HeLa human cervical carcinoma}, issn = {1735-207X}, doi = {10.1007/s13738-021-02271-3, Early Access Date = MAY 2021}, author = {Khanvilkar, Priyanka and Dash, Soumya R. and Pulipaka, Ramadevi and Shirsath, Kavita and Devkar, Ranjitsinh and Chakraborty, Debjani} } @article {47083, title = {Influence of domestication on specialized metabolic pathways in fruit crops}, journal = {Planta}, volume = {253}, year = {2021}, month = {FEB }, pages = {61}, type = {Review}, abstract = {

Main conclusionDuring the process of plant domestication, the selection and traditional breeding for desired characters such as flavor, juiciness and nutritional value of fruits, probably have resulted in gain or loss of specialized metabolites contributing to these traits. Their appearance in fruits is likely due to the acquisition of novel and specialized metabolic pathways and their regulation, driven by systematic molecular evolutionary events facilitated by traditional breeding.AbstractPlants change their armory of specialized metabolism to adapt and survive in diverse ecosystems. This may occur through molecular evolutionary events, such as single nucleotide polymorphism, gene duplication and transposition, leading to convergent or divergent evolution of biosynthetic pathways producing such specialized metabolites. Breeding and selection for improved specific and desired traits (fruit size, color, taste, flavor, etc.) in fruit crops through conventional breeding approaches may further alter content and profile of specialized metabolites. Biosynthetic routes of these metabolites have been studied in various plants. Here, we explore the influence of plant domestication and breeding processes on the selection of biosynthetic pathways of favorable specialized metabolites in fruit crops. An orderly clustered arrangement of genes associated with their production is observed in many fruit crops. We further analyzed selection-based acquisition of specialized metabolic pathways comparing first the metabolic profiles and genes involved in their biosynthesis, followed by the genomic organization of such genes between wild and domesticated horticultural crops. Domestication of crop plants favored the acquisition and retention of metabolic pathways that enhanced the fruit value while eliminated those which produced toxic or unfavorable metabolites. Interestingly, unintentional reorganization of complex metabolic pathways by selection and traditional breeding processes has endowed us with flavorful, juicy and nutritionally rich fruits.

}, keywords = {Aroma, Domestication, Flavour, Fruit crops, Gene cluster, Specialized metabolites, Taste}, issn = {0032-0935}, doi = {10.1007/s00425-020-03554-4}, author = {Dar, M. Saleem and Dholakia, Bhushan B. and Kulkarni, Abhijeet P. and Oak, Pranjali S. and Shanmugam, Dhanasekaran and Gupta, Vidya S. and Giri, Ashok P.} } @article {47445, title = {Influence of sodium caseinate, maltodextrin, pectin and their Maillard conjugate on the stability, in vitro release, anti-oxidant property and cell viability of eugenol-olive oil nanoemulsions}, journal = {International Journal of Biological Macromolecules}, volume = {183}, year = {2021}, month = {JUL}, pages = {158-170}, type = {Article}, abstract = {

The influence of protein (sodium caseinate-SC), polysaccharide (maltodextrin-MD; pectin-PC) and their Maillard conjugates (sodium caseinate maltodextrin conjugate-SCMDC; sodium caseinate pectin conjugate-SCPCC) were studied on the physico-chemical and biological properties of eugenol nanoemulsions/powder. The chemical composition was optimized using Taguchi design. The particles size of eugenol nanoemulsions with SC, MD, PC, SCMDC and SCPCC were 104.6, 323.5, 1872, 181.7, and 454.4 nm, respectively while their zeta potentials were -31.2, -28.5, -21.4, -40.1 and -25.1 mV, respectively. Turbidity studies revealed higher stability of nanoemulsion prepared with Maillard conjugate (SCMDC) compared to protein or polysaccharides alone. The dispersion of SCMDC eugenol nanoparticles in buffer was prepared to study its stability at different pH (3.0, 5.0, and 7.0) and temperature (4{\textdegree}, 37{\textdegree}, 60 {\textdegree}C) range. In-vitro enzymatic release study showed 31 and 74\% release of eugenol after 6 h at pH 2.4 and 7.4, respectively. In vitro antioxidant capacity of SCMDC encapsulated eugenol was higher than native eugenol, as demonstrated by free radical scavenging assays. In comparison to native eugenol, E:SCMDC eugenol showed reduced toxicity. These findings suggested that nanoencapsulated eugenol (E:SCMDC) have a huge potential in nutraceutical and therapeutic applications.

}, doi = {10.1016/j.ijbiomac.2021.04.122}, author = {Nagaraju, Pramod G. and Sindhu, P. and Dubey, Tushar and Chinnathambi, Subashchandrabose and Priyadarshini, Poornima and Rao, Pooja J.} } @article {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 {47602, title = {Insights into chemical reactions at the beginning of the universe: from HeH+ to H-3 (+)}, journal = {Frontiers in Chemistry}, volume = {9}, year = {2021}, month = {JUN }, pages = {679750}, type = {Article}, abstract = {At the dawn of the Universe, the ions of the light elements produced in the Big Bang nucleosynthesis recombined with each other. In our present study, we have tried to mimic the conditions in the early Universe to show how the recombination process would have led to the formation of the first ever formed diatomic species of the Universe: HeH+, as well as the subsequent processes that would have led to the formation of the simplest triatomic species: H-3 (+). We have also studied some special cases: higher positive charge with fewer number of hydrogen atoms in a dense atmosphere, and the formation of unusual and interesting linear, dicationic He chains beginning from light elements He and H in a positively charged atmosphere. For all the simulations, the ab initio nanoreactor (AINR) dynamics method has been employed.}, keywords = {ab initio molecular dynamics, ab initio nanoreactor, Density functional theory, origin of molecules in the universe, the earliest lewis acid}, issn = {2296-2646}, doi = {10.3389/fchem.2021.679750}, author = {Dash, Soumya Ranjan and Das, Tamal and Vanka, Kumar} } @article {46630, title = {Insights into the nature of self-extinguishing external donors for ziegler-natta catalysis: a combined experimental and DFT study}, journal = {ChemCatChem}, volume = {13}, year = {2021}, month = {JAN }, pages = {674-681}, type = {Article}, abstract = {

Developing donors for Ziegler-Natta (ZN) catalysis to control the polymerization reaction and produce polymers with desirable properties has always been challenging due to the multi-component nature of the catalytic systems. Here, we have developed a new synthetic protocol for making two external donors, D-1 (2,2,2-trifluoroethyl myristate) and D-2 (2,2,2-trifluoroethyl palmitate) that show self-extinguishing properties, followed by a systematic DFT study to understand this peculiar property of these donors. D-1 and D-2 can undergo parallel reactions with aluminum and titanium species present in the system to produce ketones and aldehydes, which are poisons for ZN catalytic systems, thus explaining their self-extinguishing nature. The non-covalent interaction between the long alkyl chain of the donors with the surface plays a vital role in determining the donors {\textquoteleft} self-extinguishing nature. There is a significant thermodynamic preference for the binding of the donor with the longer alkyl chain at the titanium center. The current work, therefore, provides interesting insights into how self-extinguishing donors function in ZN catalytic systems.

}, keywords = {DFT, donors, non-covalent interactions, self-extinguishing, Ziegler-Natta catalysis}, issn = {1867-3880}, doi = {10.1002/cctc.202001493, Early Access Date = NOV 2020}, author = {Vipin Raj, K. and Kumawat, Jugal and Dhamaniya, Sunil and Subaramanian, Murugan and Balaraman, Ekambaram and Kumar Gupta, Virendra and Vanka, Kumar and Grubbs, Robert H.} } @article {47625, title = {Intermolecular interception of alpha-oxo gold carbenes of nitroalkyne cycloisomerization with 1, 2-benzo[d]isoxazole: synthesis of functionalized quinazoline 1-oxides}, journal = {Journal of Organic Chemistry}, volume = {86}, year = {2021}, month = {AUG }, pages = {10874-10882}, type = {Article}, abstract = {The known nitrogen-transfer reagent 1,2-benzo[d]isoxazole has been used to trap the postulated a-oxo gold carbene intermediate involved in the [Au]-catalyzed internal redox process of 2-alkynylnitrobenzenes. This process led us to develop a general convergent method for the synthesis of highly functionalized quinazoline 1-oxides.}, issn = {0022-3263}, doi = {10.1021/acs.joc.1c01221}, author = {Dhote, Pawan S. and Pund, Kishor A. and Ramana, V, Chepuri} } @article {47407, title = {Interrupting the [Au]-catalyzed nitroalkyne cycloisomerization: trapping the putative alpha-oxo gold carbene with benzo[c]isoxazole}, journal = {Organic Letters}, volume = {23}, year = {2021}, month = {APR }, pages = {2632-2637}, type = {Article}, abstract = {

The [Au]-catalyzed nitroalkyne cycloisomerization of 2-alkynylnitrobenzenes leading to anthranils has been interrupted by possible trapping of the postulated intermediate alpha-oxo gold carbene with an external nucleophile such as benzo[c]isoxazole (anthranil). At the outset, this provides a simple synthesis of highly functionalized 3-acyl-(2-formylphenyl)-2H-indazoles with the sequential C-O, C-N, and N-N bond formations. This provides indirect support for the existence of alpha-oxo gold carbenes in the [Au]-catalyzed internal redox processes of nitroalkynes.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.1c00539}, author = {Dhote, Pawan S. and Ramana, V, Chepuri} } @article {47587, title = {Intramolecularly double-donor-stabilized stannylene and its coordination towards Ag(I) and Au(I) centers}, journal = {Chemistry-An Asian Journal}, volume = {16}, year = {2021}, month = {AUG }, pages = {2118-2125}, type = {Article}, abstract = {The intramolecularly double-donor-stabilized stannylene 1 has been synthesized from the salt-metathesis reaction between two equivalents of lithium pyridine ene-amide L1 and SnCl2. Compound 1 exhibits dipolar behavior when reacted with B(C6F5)(3) leading to the zwitterionic compound 2. The reaction of 1 with one equivalent and 0.5 equivalent of AgOTf (OTf=trifluoromethane sulfonate) result in the formation of a stannylene-AgOTf complex 3 and a homoleptic distannylene-silver ionic complex 4, respectively. Analogous to complex 4, the gold(I) complex 5 has been synthesized from the reaction between two equivalents of 1 and 0.5 equivalent of AuCl.SMe2/Me3SiOTf. Complex 5 is the first example of homoleptic stannylene-Au(I) ionic complex among the very scarce reports on stannylene-gold(I) coordination complexes. All compounds have been structurally characterized using single crystal X-ray crystallography. Solution-state characterization have been performed using multinuclear NMR techniques. Detailed DFT calculations on the optimized geometries 1 o, 3 o-5 o reveal the change in sp- hybridization on the pyramidal Sn(II) center upon metal coordination and their bonding overlaps.}, keywords = {coordination, gold cation, hybridization, intramolecular donor, stannylene}, issn = {1861-4728}, doi = {10.1002/asia.202100523}, author = {Chibde, Purva and Raut, Ravindra K. and Kumar, Vikas and Deb, Rahul and Gonnade, Rajesh and Majumdar, Moumita} } @article {46661, title = {Kinetics of 1-decene hydroformylation in an aqueous biphasic medium using a water-soluble Rh-sulfoxantphos catalyst in the presence of a cosolvent}, journal = {International Journal of Chemical Kinetics}, volume = {53}, year = {2021}, month = {MAR}, pages = {333-344}, type = {Article}, abstract = {

The kinetics of hydroformylation of 1-decene has been studied in an aqueous biphasic medium using a water-soluble Rh-sulfoxantphos catalyst in the presence of N-methyl pyrrolidone as a cosolvent at 383-403 K. The rate was found to be first order, with concentrations of catalyst and olefin and partial order, with concentrations of hydrogen in the liquid phase. The plot of rate versus excess ligand and CO concentrations passed through maxima, indicating negative order dependence at higher concentrations. These trends have been interpreted based on the established hydroformylation mechanism. High selectivity towards the linear aldehyde was maintained (n: iso ratio \> 30). An empirical rate equation has been proposed which was found to be in good agreement with the observed rate data within the experimental error. The activation energy was evaluated to be 74.76 kJ/mol.

}, keywords = {1\&\#8208, aqueous\&\#8208, biphasic, cosolvent, decene, Hydroformylation, kinetics, rh\&\#8208, sulfoxantphos}, issn = {0538-8066}, doi = {10.1002/kin.21446, Early Access Date = OCT 2020}, author = {Pagar, Nitin S. and Deshpande, Raj M.} } @article {47775, title = {Laser cladding of PAC 718, tribaloy T-700 and METCO 41 C hard facing powders on AISI SS 304L substrate}, journal = { Materials Science}, year = {2021}, month = {FEB}, type = {Article}, abstract = {The present investigation aims to deposit the three different hard facing powder (Triboloy T-700 and PAC 718, and TETCO 41 C) on SS 304L using laser cladding technique. The single and overlapped clad track was deposited using 2 kW laser power system. The optimized laser process parameters and 50\% overlap clad track was used to deposit a large surface area. The optimum laser process parameters were finalised using single clad structure study. The cross-sections of the clad layers were used to obtain the microstructure and micro-hardness from different regions namely, clad layer, diffusion layer, and substrate. Throughout the study, the laser power was kept constant i.e. 1.2 kW. For single clad deposition, the scanning speed and powder feed rate varied from 0.3 to 0.5 m/min and 4 to 9 g/min, respectively. T-700 and PAC 718 shows uniform developing micro-structure while METCO 41 C shows the development of mixed dendritic and cellular type microstructure. The Triboloy shows the maximum surface hardness of 534 Hv, 321 Hv for PAC 718, and 294 Hv for METCO 41 C.}, doi = {10.5829/IJE.2021.34.02B.20}, author = {More, S. R. and Bhatt, D. V. and Menghani, J. and Paul, C. P. and Desale, G. R.} } @article {47685, title = {L-Histidine-derived smart antifouling biohybrid with multistimuli responsivity}, journal = {Biomacromolecules}, volume = {22}, year = {2021}, month = {SEP}, pages = {3941-3949}, type = {Article}, abstract = {A novel dual pH/thermoresponsive amphiphilic poly(histidine methacrylamide)-block-hydroxyl-terminated polybutadiene-block-poly(histidine methacrylamide) (PHisMAM-b-PB-b-PHisMAM) triblock copolymer biohybrid, composed of hydrophobic PB and ampholytic PHisMAM segments, is developed via direct switching from living anionic polymerization to recyclable nanoparticle catalyst-mediated reversible-deactivation radical polymerization (RDRP). The transformation involved in situ postpolymerization modification of living polybutadiene-based carbanionic species, end-capped with ethylene oxide, into dihydroxyl-terminated polybutadiene and a subsequent reaction with 2-bromo-2-methylpropionyl bromide resulting in a telechelic ATRP macroinitiator (Br-PB-Br). Br-PB-Br was used to mediate RDRP of an L-histidine-derived monomer, HisMAM, yielding a series of PHisMAM-b-PB-b-PHisMAM triblock copolymers. The copolymer{\textquoteright}s stimuli response was assessed against pH and temperature changes. The copolymer is capable of switching among its zwitterionic, anionic, and cationic forms and exhibited unique antifouling properties in its zwitterionic form. These novel triblock copolymers are expected to be show promising potential in biomedical applications.}, issn = {1525-7797}, doi = {10.1021/acs.biomac.1c00748}, author = {Mohammad, Sk Arif and Dolui, Subrata and Kumar, Devendra and Mane, Shivshankar R. and Banerjee, Sanjib} } @article {47058, title = {Lithium compound catalyzed deoxygenative hydroboration of primary, secondary and tertiary amides}, journal = {Dalton Transactions}, volume = {50}, year = {2021}, month = {FEB}, pages = {2354-2358}, type = {Article}, abstract = {

A selective and efficient route for the deoxygenative reduction of primary to tertiary amides to corresponding amines has been achieved with pinacolborane (HBpin) using simple and readily accessible 2,6-di-tert-butyl phenolate lithium center dot THF (1a) as a catalyst. Both experimental and DFT studies provide mechanistic insight.

}, issn = {1477-9226}, doi = {10.1039/d1dt00364j}, author = {Bisai, Milan Kumar and Gour, Kritika and Das, Tamal and Vanka, Kumar and Sen, Sakya S.} } @article {47406, title = {Lithium silicate nanosheets with excellent capture capacity and kinetics with unprecedented stability for high-temperature CO2 capture}, journal = {Chemical Science}, volume = {12}, year = {2021}, month = {APR }, pages = {4825-4835}, type = {Article}, abstract = {

An excessive amount of CO2 is the leading cause of climate change, and hence, its reduction in the Earth{\textquoteright}s atmosphere is critical to stop further degradation of the environment. Although a large body of work has been carried out for post-combustion low-temperature CO2 capture, there are very few high temperature pre-combustion CO2 capture processes. Lithium silicate (Li4SiO4), one of the best known high-temperature CO2 capture sorbents, has two main challenges, moderate capture kinetics and poor sorbent stability. In this work, we have designed and synthesized lithium silicate nanosheets (LSNs), which showed high CO2 capture capacity (35.3 wt\% CO2 capture using 60\% CO2 feed gas, close to the theoretical value) with ultra-fast kinetics and enhanced stability at 650 degrees C. Due to the nanosheet morphology of the LSNs, they provided a good external surface for CO2 adsorption at every Li-site, yielding excellent CO2 capture capacity. The nanosheet morphology of the LSNs allowed efficient CO2 diffusion to ensure reaction with the entire sheet as well as providing extremely fast CO2 capture kinetics (0.22 g g(-1) min(-1)). Conventional lithium silicates are known to rapidly lose their capture capacity and kinetics within the first few cycles due to thick carbonate shell formation and also due to the sintering of sorbent particles; however, the LSNs were stable for at least 200 cycles without any loss in their capture capacity or kinetics. The LSNs neither formed a carbonate shell nor underwent sintering, allowing efficient adsorption-desorption cycling. We also proposed a new mechanism, a mixed-phase model, to explain the unique CO2 capture behavior of the LSNs, using detailed (i) kinetics experiments for both adsorption and desorption steps, (ii) in situ diffuse reflectance infrared Fourier transform (DRIFT) spectroscopy measurements, (iii) depth-profiling X-ray photoelectron spectroscopy (XPS) of the sorbent after CO2 capture and (iv) theoretical investigation through systematic electronic structure calculations within the framework of density functional theory (DFT) formalism.

}, issn = {2041-6520}, doi = {10.1039/d0sc06843h}, author = {Belgamwar, Rajesh and Maity, Ayan and Das, Tisita and Chakraborty, Sudip and Vinod, Chathakudath P. and Polshettiwar, Vivek} } @article {47649, title = {Lowering the C-H bond activation barrier of methane by means of SAC@Cu(111): periodic DFT investigations}, journal = {New Journal of Chemistry}, volume = {46}, year = {2021}, month = {DEC }, pages = {70-74}, type = {Article}, abstract = {Methane has long captured the world{\textquoteright}s attention for being the simplest yet one of the most notorious hydrocarbons. Exploring its potential to be converted into value-added products has raised compelling interest. In the present work, we have studied the efficiency of single-atom catalysts (SACs) for methane activation employing density functional theory (DFT). The climbing image-nudged elastic band (CI-NEB) method is used in tandem with the improved dimer (ID) method to determine the minimum energy pathway for the first C-H bond dissociation of methane. Our study reported that the transition-metal doped Cu(111) surfaces enhance the adsorption, activate the C-H bond, and reduce the activation barrier for first C-H bond cleavage of methane. The results suggest Ru-/Co-/Rh-doped Cu(111) as promising candidates for methane activation with a minimal activation barrier and a less endothermic reaction. For these SACs, the calculated activation barriers for the first C-H bond cleavage are 0.17 eV, 0.24 eV, and 0.26 eV respectively, which is substantially lower than 1.13 eV, the activation barrier for Cu(111).}, issn = {1144-0546}, doi = {10.1039/d1nj04525c}, author = {Bhati, Meema and Dhumal, Jignesh and Joshi, Kavita} } @article {47721, title = {Lsi2: A black box in plant silicon transport}, journal = {Plant and Soil}, volume = {466}, year = {2021}, month = {SEP}, pages = {1-20}, type = {Review}, abstract = {Background Silicon (Si) is widely considered a non-essential but beneficial element for higher plants, providing broad protection against various environmental stresses (both biotic and abiotic), particularly in species that can readily absorb the element. Two plasma-membrane proteins are known to coordinate the radial transport of Si (in the form of Si(OH)(4)) from soil to xylem within roots: the influx channel Lsi1 and the efflux transporter Lsi2. From a structural and mechanistic perspective, much more is known about Lsi1 (a member of the NIP-III subgroup of the Major Intrinsic Proteins) compared to Lsi2 (a putative Si(OH)(4)/H+ antiporter, with some homology to bacterial anion transporters). Scope Here, we critically review the current state of understanding regarding the physiological role and molecular characteristics of Lsi2. We demonstrate that the structure-function relationship of Lsi2 is largely uncharted and that the standing transport model requires much better supportive evidence. We also provide (to our knowledge) the most current and extensive phylogenetic analysis of Lsi2 from all fully sequenced higher-plant genomes. We end by suggesting research directions and hypotheses to elucidate the properties of Lsi2. Conclusions Given that Lsi2 is proposed to mediate xylem Si loading and thus root-to-shoot translocation and biosilicification, it is imperative that the field of Si transport focus its efforts on a better understanding of this important topic. With this review, we aim to stimulate and advance research in the field of Si transport and thus better exploit Si to improve crop resilience and agricultural output.}, keywords = {Efflux, Lsi2, Membrane transport, Root-to-shoot translocation, silicon, Xylem loading}, issn = {0032-079X}, doi = {10.1007/s11104-021-05061-1}, author = {Coskun, Devrim and Deshmukh, Rupesh and Shivaraj, S. M. and Isenring, Paul and Belanger, Richard R.} } @article {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 {47627, title = {Mechanistic investigations on the catalytic transfer hydrogenation of lignin-derived monomers over Ru catalysts: theoretical and kinetic studies}, journal = {ACS Sustainable Chemistry \& Engineering}, volume = {9}, year = {2021}, month = {OCT}, pages = {14040-14050}, type = {Article}, abstract = {The hydrodeoxygenation (HDO) reaction of oxygenated compounds such as lignin-derived phenolics is well studied using molecular H-2 as a hydrogen source, yet the use of high pressures discourages its use on an industrial scale. As an alternative, the catalytic transfer hydrogenation (CTH) pathway provides in situ hydrogenation species, which reduces the need for the high-pressure infrastructure required when molecular hydrogen is used. Nevertheless, this strategy is scantly studied, and in lieu with this, herein we report the kinetic and mechanistic investigations of the CTH strategy for the HDO of guaiacol, phenol, anisole veratrole, and eugenol to their respective products. For potential commercialization purposes, low loading of metal, milder reaction conditions, and high selectivity toward desired products with a high H/C ratio were considered while designing catalysts (0.5 wt \% Ru on SiO2-Al2O3, SiO2, Al2O3-acidic, Al2O3-basic, and Al2O3-neutral) for these reactions. As high as 74\% cyclohexanol yield from guaiacol was achieved at 225 degrees C in the presence of isopropyl alcohol (IPA) as the hydrogen source and over the Ru/Al2O3-acidic catalyst reduced at 150 degrees C. A detailed kinetic study is carried out to understand the interaction of the substrate and intermediates with the catalyst and the influence of reaction parameters on the product formation. It was observed that the cisisomer of 2-methoxycyclohexanol rapidly undergoes further conversion than the trans-isomer. The experimental observations are substantiated through density functional theory (DFT) studies on Ru(0001) and guaiacol molecule complexes. DFT studies indicate that the adsorption of the cis-isomer is more exothermic as compared to that of the trans counterpart, and the underlying electronic factors are elucidated using charge density difference and density of states plots.}, keywords = {catalytic transfer hydrogenation, Cyclohexanol, DFT, Hydrodeoxygenation, kinetics, lignin monomers, Supported metal catalysts}, issn = {2168-0485}, doi = {10.1021/acssuschemeng.1c02942}, author = {Khan, Tufeil Sartaj and Singh, Dheerendra and Samal, Pragnya Paramita and Krishnamurty, Sailaja and Dhepe, Paresh Laxmikant} } @article {47123, title = {Metabolic engineering and synthetic biology for isoprenoid production in Escherichia coli and Saccharomyces cerevisiae}, journal = {Applied Microbiology and Biotechnology}, volume = {105}, year = {2021}, month = {JAN}, pages = {457-475}, type = {Review}, abstract = {

Isoprenoids, often called terpenoids, are the most abundant and highly diverse family of natural organic compounds. In plants, they play a distinct role in the form of photosynthetic pigments, hormones, electron carrier, structural components of membrane, and defence. Many isoprenoids have useful applications in the pharmaceutical, nutraceutical, and chemical industries. They are synthesized by various isoprenoid synthase enzymes by several consecutive steps. Recent advancement in metabolic engineering and synthetic biology has enabled the production of these isoprenoids in the heterologous host systems like Escherichia coli and Saccharomyces cerevisiae. Both heterologous systems have been engineered for large-scale production of value-added isoprenoids. This review article will provide the detailed description of various approaches used for engineering of methyl-d-erythritol-4-phosphate (MEP) and mevalonate (MVA) pathway for synthesizing isoprene units (C-5) and ultimate production of diverse isoprenoids. The review particularly highlighted the efforts taken for the production of C-5-C-20 isoprenoids by metabolic engineering techniques in E. coli and S. cerevisiae over a decade. The challenges and strategies are also discussed in detail for scale-up and engineering of isoprenoids in the heterologous host systems.

}, keywords = {Escherichia coli, Isoprenoids, Metabolic engineering, Saccharomyces cerevisiae, synthetic biology}, issn = {0175-7598}, doi = {10.1007/s00253-020-11040-w, Early Access Date = JAN 2021}, author = {Navale, Govinda R. and Dharne, Mahesh S. and Shinde, Sandip S.} } @article {47451, title = {Metagenomic analysis of a mega-city river network reveals microbial compositional heterogeneity among urban and peri-urban river stretch}, journal = {Science of the Total Environment}, volume = {783}, year = {2021}, month = {AUG }, pages = {146960}, type = {Article}, abstract = {

The rivers in the megacities face a constant inflow of extremely polluted wastewaters from various sources, and their influence on the connected peri-urban river is still poorly understood. The riverine system in Pune consists of Rivers Mula, Ramnadi, Pawana, Mutha, and Mula-Mutha, traversing through the urban settlements of Pune before joining River Bhima in the peri-urban region. We used MinION-based metagenomic sequencing to generate a comprehensive understanding of the microbial diversity differ-ences between the urban and peri-urban zones, which has not been explored at the meta scale until date. The taxonomic analysis revealed significant enrichment of pollution indicators microbial taxa (Welsch{\textquoteright}s t-test, p \< 0.05, Benjamini-Hochberg FDR test) such as Bacteriodetes, Firmicutes, Spirochaetes, Synergistetes, Euryarcheota in the urban waters as compared to peri-urban waters. Further, the peri-urban waters showed a significantly higher prevalence of ammonium oxidising archaeal groups such as Nitrososphaeraceae (Student{\textquoteright}s t-test p-value \<0.05 with FDR correction), thereby probably suggesting the influence of agricultural runoffs. Besides, the microbial community diversity assessment also indicated the significant dissimilarity in the microbial community of urban and peri-urban waters. Overall, the analysis predicted 295 virulence genes mapping to 38 different path-ogenic bacteria in the riverine system. Moreover, the higher genome coverage (at least 60\%) for priority patho-gens such as Pseudomonas, Klebsiella, Acinetobacter, Escherichia, Aeromonas in the sediment metagenome consolidates their dominance in this riverine system. To conclude, our investigation showed that the unre-strained anthropogenic and related activities could potentially contribute to the overall dismal conditions and in-fluence the connected riverine stretches on the outskirts of the city . (c) 2021 Elsevier B.V. All rights reserved.

}, keywords = {Industrialisation, Peri-urban, Riverine system, Urbanisation, Virulence factors}, issn = {0048-9697}, doi = {10.1016/j.scitotenv.2021.146960}, author = {Yadav, Rakeshkumar and Rajput, Vinay and Dharne, Mahesh} } @article {47448, title = {Metagenomic analysis reveals genetic insights on biogeochemical cycling, xenobiotic degradation, and stress resistance in mudflat microbiome}, journal = {Journal of Environmental Management}, volume = {292}, year = {2021}, month = {AUG}, pages = {112738}, type = {Article}, abstract = {

Mudflats are highly productive coastal ecosystems that are dominated by halophytic vegetation. In this study, the mudflat sediment microbiome was investigated from Nalabana Island, located in a brackish water coastal wetland of India; Chilika, based on the MinION shotgun metagenomic analysis. Bacterial, archaeal, and fungal communities were mostly composed of Proteobacteria (38.3\%), Actinobacteria (20.7\%), Euryarchaeota (76.1\%), Candidatus Bathyarchaeota (6.8\%), Ascomycota (47.2\%), and Basidiomycota (22.0\%). Bacterial and archaeal community composition differed significantly between vegetated mudflat and un-vegetated bulk sediments. Carbon, nitrogen, sulfur metabolisms, oxidative phosphorylation, and xenobiotic biodegradation were the most common microbial functionalities in the mudflat metagenomes. Furthermore, genes involved in oxidative stresses, osmotolerance, secondary metabolite synthesis, and extracellular polymeric substance synthesis revealed adaptive mechanisms of the microbiome in mudflat habitat. Mudflat metagenome also revealed genes involved in the plant growth and development, suggesting that microbial communities could aid halophytic vegetation by providing tolerance to the abiotic stresses in a harsh mudflat environment. Canonical correspondence analysis and co-occurrence network revealed that both biotic (vegetation and microbial interactions) and abiotic factors played important role in shaping the mudflat microbiome composition. Among abiotic factors, pH accounted for the highest variance (20.10\%) followed by available phosphorus (19.73\%), total organic carbon (9.94\%), salinity (8.28\%), sediment texture (sand) (6.37\%) and available nitrogen (5.53\%) in the mudflat microbial communities. Overall, this first metagenomic study provided a comprehensive insight on the community structure, potential ecological interactions, and genetic potential of the mudflat microbiome in context to the cycling of organic matter, xenobiotic biodegradation, stress resistance, and in providing the ecological fitness to halophytes. These ecosystem services of the mudflat microbiome must be considered in the conservation and management plan of coastal wetlands. This study also advanced our understanding of fungal diversity which is understudied from the coastal lagoon ecosystems.

}, doi = {10.1016/j.jenvman.2021.112738 }, author = {Mohapatra, Madhusmita and Yadav, Rakeshkumar and Rajput, Vinay and Dharne, Mahesh S. and Rastogi, Gurdeep} } @article {47636, title = {Metagenomic exploration reveals a differential patterning of antibiotic resistance genes in urban and peri-urban stretches of a riverine system}, journal = {Environmental Science and Pollution Research}, volume = {28}, year = {2021}, month = {DEC}, pages = {66477-66484}, type = {Article}, abstract = {{Antimicrobial resistance in the riverine ecosystem of urban areas is an alarming concern worldwide, indicating the importance of molecular monitoring to understand their patterning in urban and peri-urban areas. In the present study, we evaluated the influence of urban rivers on the connected peri-urban rivers of a riverine system of India in the context of antibiotic resistance genes. The rivers traversing through urban (Mula, Mutha, Pawana, and Ramnadi) and peri-urban stretches (Bhima and Indrayani) form the riverine system of Pune district in Maharashtra, India. The MinION-based shotgun metagenomic analysis revealed the resistome against 26 classes of antibiotics, including the last line of antibiotics. In total, we observed 278 ARG subtypes conferring resistance against multiple drugs (40\%), bacitracin (10\%), aminoglycoside (7.5\%), tetracycline (7\%), and glycopeptide (5\%). Further, the alpha diversity analysis suggested relatively higher ARG diversity in the urban stretches than peri-urban stretches of the riverine system. The NMDS (non-metric multidimensional scaling) analysis revealed significant differences with overlapping similarities (stress value = 0.14}, keywords = {Antibiotic resistance, MinION, Peri-urban rivers, Urbanization}, issn = {0944-1344}, doi = {10.1007/s11356-021-16910-y}, author = {Rajput, Vinay and Yadav, Rakeshkumar and Dharne, Mahesh S.} } @article {47065, title = {Microglial remodeling of actin network by Tau oligomers, via G protein-coupled purinergic receptor, P2Y12R-driven chemotaxis}, journal = {Traffic}, volume = {22}, year = {2021}, month = {MAY}, pages = {153-170}, type = {Article}, abstract = {

Alzheimer{\textquoteright}s disease (AD) is associated with age-related neurodegeneration, synaptic deformation and chronic inflammation mediated by microglia and infiltrated macrophages in the brain. Tau oligomers can be released from damaged neurons via various mechanisms such as exosomes, neurotransmitter, membrane leakage etc. Microglia sense the extracellular Tau through several cell-surface receptors and mediate chemotaxis and phagocytosis. The purinergic receptor P2Y12R recently gained interest in neurodegeneration for neuro-glial communication and microglial chemotaxis towards the site of plaque deposition. To understand the effect of extracellular Tau oligomers in microglial migration, the P2Y12R-mediated actin remodeling, reorientation of tubulin network and rate of migration were studied in the presence of ATP. The extracellular Tau species directly interacted with P2Y12R and also induced this purinoceptor expression in microglia. Microglial P2Y12R colocalized with remodeled membrane-associated actin network as a component of migration in response to Tau oligomers. As an inducer of P2Y12R, ATP facilitated the localization of P2Y12R in lamellipodia and filopodia during accelerated microglial migration. The direct interaction of extracellular Tau oligomers with microglial P2Y12R would facilitate the signal transduction in both way, directional chemotaxis and receptor-mediated phagocytosis. These unprecedented findings emphasize that microglia can modulate the membrane-associated actin structure and incorporate P2Y12R to perceive the axis and rate of chemotaxis in Tauopathy.

}, keywords = {actin remodeling, Alzheimer\&apos, chemotaxis, microglia, migration, s disease, Tau Oligomers}, issn = {1398-9219}, doi = {10.1111/tra.12784, Early Access Date = FEB 2021}, author = {Das, Rashmi and Chinnathambi, Subashchandrabose} } @article {47032, title = {Molecular insights of fungal endophyte co-inoculation with Trichoderma viride for the augmentation of forskolin biosynthesis in Coleus forskohlii}, journal = {Phytochemistry}, volume = {184}, year = {2021}, month = {APR}, pages = {112654}, type = {Article}, abstract = {

To understand the compatibility of three native endophytic fungi Phialemoniopsis cornearis (SF1), Macrophomina pseudophaseolina (SF2) and Fusarium redolens (RF1) with Trichoderma viride (TV1) on Coleus forskohlii in enhancing plant growth and forskolin content, field experiments were conducted. Co-inoculation of RF1+TV1 showed significant improvement in plant growth (52\%), root biomass (67\%), and in planter forskolin content (94\%), followed by treatment with SF2+TV1 and SF1+TV1. qRT-PCR was carried out to quantify expression of five key forskolin biosynthetic pathway genes (CfTPS2, CfTPS3, CfTPS4, CfCYP76AH15, and CfACT1-8) in RF1+TV1 treated C. forskohlii plants. Elevated expression of CfTPS2, CfTPS4, CfCYP76AH15 and CfACT1-8 genes was observed with RF1+TV1 combination as compared to uninoculated C. forskohlii plants. Besides, RF1+TV1 treatment considerably reduced the severity of nematode infection of C. forskohlii plants under field conditions. Thus, congruent properties of F. redolens (RF1) were witnessed with co-inoculation of T. viride (TV1) under field conditions which resulted in enhanced forskolin content, root biomass, and reduced nematode infections in C. forskohlii. Overall, this approach could be an economical and sustainable step towards cultivation of commercially important medicinal plants.

}, keywords = {Co-inoculation, Coleus forskohlii, endophytes, Forskolin, Lamiaceae, Trichoderma viride}, issn = {0031-9422}, doi = {10.1016/j.phytochem.2021.112654}, author = {Mastan, Anthati and Rane, Digeshwar and Dastager, Syed G. and Babu, C. S. Vivek} } @article {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 {47446, title = {Nanoparticles of biotite mica as Krishna Vajra Abhraka Bhasma: synthesis and characterization}, journal = {Journal of Ayurveda and Integrative Medicine }, volume = {12}, year = {2021}, month = {JUN }, pages = {269-282}, type = {Article}, abstract = {

Background

Bio-inorganic\ nanoparticles\ or\ metal nanoparticles\ are used in medicine for diagnostic and treatment purposes. The\ nanomedicines\ from traditional Ayurvedic system are termed as bhasma. Rasashastra, the branch of inorganic medicines of\ Ayurveda, has documented monographs of metal-mineral bhasmas as potent drugs. However there is lack of scientific analytical data of the end products.

Objectives

Present study was aimed at finding out the morphological, structural, elemental and chemical composition of the Krishna vajra abhraka bhasma (KVB).

Materials and methods

Bhasma of KVB (Biotite Mica) was prepared in our laboratory using biotite mica sheets befitting selection criteria and carrying out further processes with strict SOPs as per AFI.

Results

The bhasma complied with the confirmatory tests from Rasashastra. The physical and physicochemical tests correlate with the results obtained by instrumental analytical methods. SEM revealed square shaped nanoparticles of mean size of 92.3 nm. EDAX showed presence of Si, Mg, O, Fe, Ca, Na, C, K and Al. XRD revealed the crystalline nature of bhasma with mixture of various individual oxides and spinel shape of the crystal. DLS showed that the nanoparticles are unimodal in nature. FTIR and NMR showed the organic functional groups obtained from cow milk and selected herbs, indicating unique bio-inorganic nature of the KVB.

}, doi = {10.1016/j.jaim.2020.09.004}, author = {Wele, Asmita and Sourav, De and Dalvi, Madhuri and Devi, Nandini and Pandit, Vijaya} } @article {47419, title = {Naphthalene dianhydride organic anode for a {\textquoteleft}rocking-chair{\textquoteright} zinc-proton hybrid ion battery}, journal = {Dalton Transactions}, volume = {50}, year = {2021}, month = {MAR }, pages = {4237-4243}, type = {Article}, abstract = {

Rechargeable batteries consisting of a Zn metal anode and a suitable cathode coupled with a Zn2+ ion-conducting electrolyte are recently emerging as promising energy storage devices for stationary applications. However, the formation of high surface area Zn (HSAZ) architectures on the metallic Zn anode deteriorates their performance upon prolonged cycling. In this work, we demonstrate the application of 1,4,5,8-naphthalenetetracarboxylic dianhydride (NTCDA), an organic compound, as a replacement for the Zn-metal anode enabling the design of a {\textquoteleft}rocking-chair{\textquoteright} zinc-proton hybrid ion battery. The NTCDA electrode material displays a multi-plateau redox behaviour, delivering a specific discharge capacity of 143 mA h g(-1) in the potential window of 1.4 V to 0.3 V vs. Zn|Zn2+. The detailed electrochemical characterization of NTCDA in various electrolytes (an aqueous solution of 1 M ZnOTF, an aqueous solution of 0.01 M H2SO4, and an organic electrolyte of 0.5 M ZnOTF/acetonitrile) reveals that the redox processes leading to charge storage involve a contribution from both H+ and Zn2+. The performance of NTCDA as an anode is further demonstrated by pairing it with a MnO2 cathode, and the resulting MnO2||NTCDA full-cell (zinc-proton hybrid ion battery) delivers a specific discharge capacity of 41 mA h g(total)(-1) (normalized with the total mass-loading of both anode and cathode active materials) with an average operating voltage of 0.80 V.

}, issn = {1477-9226}, doi = {10.1039/d0dt04404k}, author = {Ghosh, Meena and Vijayakumar, Vidyanand and Kurian, Maria and Dilwale, Swati and Kurungot, Sreekumar} } @article {47776, title = {Neem derivatives inhibits tau aggregation}, journal = {Journal of Alzheimer s Disease Reports}, volume = {3}, year = {2021}, month = {JAN}, pages = {169-178}, type = {Article}, abstract = {Tau is a phosphoprotein with natively unfolded conformation that functions to stabilize microtubules in axons. Alzheimer{\textquoteright}s disease pathology triggers several modifications in tau, which causes it to lose its affinity towards microtubule, thus, leading to microtubule disassembly and loss of axonal integrity. This elicit accumulation of tau as paired helical filaments is followed by stable neurofibrillary tangles formation. A large number of small molecules have been isolated from Azadirachta indica with varied medicinal applications. The intermediate and final limonoids, nimbin and salannin respectively, isolated from Azadirachta indica, were screened against tau aggregation. ThS and ANS fluorescence assay showed the role of intermediate and final limonoids in preventing heparin induced cross-β sheet formation and also decreased hydrophobicity, which are characteristic nature of tau aggregation. Transmission electron microscopy studies revealed that limonoids restricted the aggregation of tau to fibrils; in turn, limonoids led to the formation of short and fragile aggregates. Both the limonoids were non-toxic to HEK293T cells thus, substantiating limonoids as a potential lead in overcoming Alzheimer{\textquoteright}s disease.}, doi = {10.3233/ADR-190118}, author = {Nalini, Gorantla Vijay and Das, Rashmi and Mulani, Fayaj Alam and Thulasiram, Hirekodathakallu V. and Chinnathambi, Subashchandrabose} } @article {47727, title = {New 1,2,3-triazole-appended bis-pyrazoles: synthesis, bioevaluation, and molecular docking}, journal = {ACS Omega}, volume = {6}, year = {2021}, month = {SEP}, pages = {24879-24890}, type = {Article}, abstract = {The present work describes design of a small library of new 1,2,3-triazole-appended bis-pyrazoles by using a molecular hybridization approach, and the synthesized hybrids were evaluated for their antifungal activity against different fungal strains, namely, Candida albicans, Cryptococcus neoformans, Candida glabrata, Candida tropicalis, Aspergillus niger, and Aspergillus fumigatus. All the compounds exhibited broad-spectrum activity against the tested fungal strains with excellent minimum inhibitory concentration values. The molecular docking study against sterol 14 alpha-demethylase (CYP51) could provide valuable insights into the binding modes and affinity of these compounds. Furthermore, these compounds were also evaluated for their antioxidant activity, which also resulted in promising data.}, issn = {2470-1343}, doi = {10.1021/acsomega.1c03734}, author = {Danne, Ashruba B. and Deshpande, V, Mukund and Sangshetti, Jaiprakash N. and Khedkar, Vijay M. and Shingate, Bapurao B.} } @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 {47380, title = {One-dimensional multichannel g-C3N4.7 nanostructure realizing an efficient photocatalytic hydrogen evolution reaction and its theoretical investigations}, journal = {ACS Applied Energy Materials}, volume = {4}, year = {2021}, month = {APR }, pages = {3118-3129}, type = {Article}, abstract = {

The emerging metal-free carbon nitride (C3N4) offers prominent possibilities for realizing the highly effective hydrogen evolution reaction (HER). However, its poor surface conductivity and insufficient catalytic sites hinder the HER performance. Herein, a one-dimensional vermicular rope-like graphitic carbon nitride nanostructure is demonstrated that consists of multichannel tubular pores and high nitrogen content, which is fabricated through a cost-effective approach having the final stoichiometry g-C3N4.7 for HER application. The present g-C3N4.7 is unique owing to the presence of abundant channels for the diffusion process, modulated surface chemistry with rich- electroactive sites from N-electron lone pairs, greatly reduced recombination rate of photoexcited exciton pairs, and a high donor concentration (4.26 x 10(17) cm(3)). The catalyst offers a visible-light-driven photocatalytic H-2 evolution rate as high as 4910 mu mol h(-1)g(-1) with an apparent quantum yield of 14.07\% at band gap absorption (2.59 eV, 479 nm) under 7.68 mW cm(-2) illumination. The number of hydrogen gas molecules produced is 1.307 x 10(15) s(-1) cm(-2), which remained constant for a minimum of 18 h of repeated cycling in the HER without any degradation of the catalyst. In density functional theory calculations, a significant change in the band offset is observed due to N doping into the system in favor of electron catalysis. The theoretical band gap of a monolayer of g-C3N4.7 was enormously reduced because of the presence of additional densities of states from the doped N atom inside the band gap. These impurity or donor bands are formed inside the band gap region, which ultimately enhance the hydrogen ion reduction reaction enormously.

}, keywords = {carbon nitride, Density functional theory, hydrogen evolution reaction, nitrogen-rich, Photocatalyst}, issn = {2574-0962}, doi = {10.1021/acsaem.0c02858}, author = {Antil, Bindu and Kumar, Lakshya and Ranjan, Ravi and Shenoy, Sulakshana and Tarafder, Kartick and Gopinath, Chinnakonda S. and Deka, Sasanka} } @article {47650, title = {One-pot bioconversion of tomato waste into poly-gamma-glutamic acid (gamma-PGA) biopolymer by a novel biocatalyst}, journal = {ACS Sustainable Chemistry \& Engineering}, volume = {9}, year = {2021}, month = {NOV }, pages = {14330-14334}, type = {Article}, abstract = {Landfilling of rotten tomatoes can lead to environmental instability and a huge economic loss to the producers. This letter reports an effective valorization of tomato waste into a promising biopolymer, i.e., poly-gamma-glutamic acid (gamma-PGA) by a novel biocatalyst Bacillus paralicheniformis NCIM 5769. The gamma-PGA is one of the most expensive biopolymers with multifarious applications in wound healing, drug delivery, and regenerative medicine fields. However, its adoption into various applications is finite due to its exorbitant production cost. Herein, rotten tomatoes (without additional nutrient supplementation) served as the chassis for the fermentative production of 40 g/L of highly pure gamma-PGA within 48 h at ambient temperature. Further, NMR, DSC, and TGA confirmed the purity of synthesized gamma-PGA identical to standard gamma-PGA. This process has potential in the commercialization of.-PGA by significantly reducing the production cost, followed by the effective utilization of tomato waste leading to United Nations Sustainable Development Goal 12 (i.e., ensure sustainable consumption and production patterns).}, keywords = {Commercialization, Poly-gamma-glutamic acid, Rotten tomatoes, United Nations Sustainable Development Goals, Waste utilization}, issn = {2168-0485}, doi = {10.1021/acssuschemeng.1c05362}, author = {Nair, Pranav G. and Joseph, Emmanuel and Killi, Naresh and Konchada, Sravanya and Nisal, Anuya and Gundloori, Rathna Venkata Naga and Dharne, Mahesh S.} } @article {47068, title = {Operando generated ordered heterogeneous catalyst for the selective conversion of CO2 to methanol}, journal = {ACS Energy Letters}, volume = {6}, year = {2021}, month = {FEB }, pages = {509-516}, type = {Article}, abstract = {

The discovery of new materials for efficient transformation of carbon dioxide (CO2) into desired fuel can revolutionize large-scale renewable energy storage and mitigate environmental damage due to carbon emissions. In this work, we discovered an operando generated stable Ni-In kinetic phase that selectively converts CO2 to methanol (CTM) at low pressure compared to the state-of-the-art materials. The catalytic nature of a well-known methanation catalyst, nickel, has been tuned with the introduction of inactive indium, which enhances the CTM process. The remarkable change in the mechanistic pathways toward methanol production has been mapped by operando diffuse reflectance infrared Fourier transform spectroscopy analysis, corroborated by first-principles calculations. The ordered arrangement and pronounced electronegativity difference between metals are attributed to the complete shift in mechanism. The approach and findings of this work provide a unique advance toward the next-generation catalyst discovery for going beyond the state-of-the-art in CO2 reduction technologies.

}, issn = {2380-8195}, doi = {10.1021/acsenergylett.0c02614}, author = {Cherevotan, Arjun and Raj, Jithu and Dheer, Lakshay and Roy, Soumyabrata and Sarkar, Shreya and Das, Risov and Vinod, Chathakudath P. and Xu, Shaojun and Wells, Peter and Waghmare, V, Umesh and Peter, Sebastian C.} } @article {47742, title = {Organic-inorganic perovskitoid with zwitterion cysteamine linker and its crystal-crystal transformation to ruddlesden-popper phase}, journal = {Angewandte Chemie-International Edition}, volume = {60}, year = {2021}, month = {AUG }, pages = {18750-18760}, type = {Article}, abstract = {We demonstrate synthesis of a new low-D hybrid perovskitoid (a perovskite-like hybrid halide structure, yellow crystals, P21/n space group) using zwitterion cysteamine (2-aminoethanethiol) linker, and its remarkable molecular diffusion-controlled crystal-to-crystal transformation to Ruddlesden-Popper phase (Red crystals, Pnma space group). Our stable intermediate perovskitoid distinctly differs from all previous reports by way of a unique staggered arrangement of holes in the puckered 2D configuration with a face-sharing connection between the corrugated-1D double chains. The PL intensity for the yellow phase is 5 orders higher as compared to the red phase and the corresponding average lifetime is also fairly long (143 ns). First principles DFT calculations conform very well with the experimental band gap data. We demonstrate applicability of the new perovskitoid yellow phase as an excellent active layer in a self-powered photodetector and for selective detection of Ni2+ via On-Off-On photoluminescence (PL) based on its composite with few-layer black phosphorous.}, keywords = {Crystal growth, organic-inorganic hybrid composites, perovskite phases, photodetectors, zwitterions}, issn = {1433-7851}, doi = {10.1002/anie.202105918}, author = {Kour, Prachi and Reddy, Mallu Chenna and Pal, Shiv and Sidhik, Siraj and Das, Tisita and Pandey, Padmini and Mukherjee, Shatabdi Porel and Chakraborty, Sudip and Mohite, Aditya D. and Ogale, Satishchandra} } @article {47648, title = {Organoruthenium (II) complexes featuring pyrazole-linked thiosemicarbazone ligands: synthesis, DNA/BSA interactions, molecular docking, and cytotoxicity studies}, journal = {Applied Organometallic Chemistry}, volume = {35}, year = {2021}, month = {OCT}, pages = {e6343}, type = {Article}, abstract = {A series of pyrazol-derived thiosemicarbazone ligands (L1-L4) were synthesized and reacted with [Ru(p-cymene)(mu-Cl)Cl](2) to yield a series of {\textquoteleft}{\textquoteleft}piano-stool{\textquoteright}{\textquoteright}-type binuclear ruthenium (II)-arene-thiosemicarbazone complexes (C1-C8) of the general type [(Ru(eta(6)-p-cym)L)(2)(mu-im/azpy)] Cl1-2 (L = diphenylpyrazole thiosemicarbazone; cym = p-cymene; im = imidazole; azpy = 4,4 {\textquoteleft}-azopyridine). The thiosemicarbazone ligands act as N and S donors binding to the Ru(II) center via the imine nitrogen and the thione sulfur atoms. The complexes were characterized by NMR, FTIR, UV-Vis spectroscopy, and ESI+ mass spectrometry. The binding of the complexes to calf thymus deoxyribonucleic acid (CT-DNA) and bovine serum albumin (BSA) was evaluated, and it has been established that the binuclear complexes have good binding efficacies with DNA (K-b = 10(4)-10(5) M-1) and BSA (K-a = 10(5)-10(6) M-1). This is attributed to the arene moieties present in the ligands of the complexes that can have hydrophobic interactions with DNA/BSA. Ethidium bromide (EB) displacement studies and DNA viscosity measurements revealed intercalative interaction of the complexes with DNA. Static interaction of the complexes with BSA was revealed by fluorescence quenching studies. Molecular docking studies confirmed base stacking, H-bonding, and hydrophobic interactions with the biomolecules. In vitro antiproliferative studies of the complexes affirmed that the complexes are cytotoxic towards the HeLa (human cervical cancer) cell line with IC50 values in range of 17.3-41.3 mu M.}, keywords = {Binuclear ruthenium (II) complexes, BSA binding interactions, DNA, HeLa human cervical carcinoma, pyrazole-derived thiosemicarbazone}, issn = {0268-2605}, doi = {10.1002/aoc.6343}, author = {Khanvilkar, Priyanka and Dash, Soumya R. and Banerjee, Devjani and Vohra, Aliasgar and Devkar, Ranjitsinh and Chakraborty, Debjani} } @article {47758, title = {Palladium supported on magnesium hydroxyl fluoride: an effective acid catalyst for the hydrogenation of imines and N-heterocycles}, journal = {New Journal of Chemistry}, volume = {45}, year = {2021}, month = {OCT }, pages = {19572-19583}, type = {Article}, abstract = {Palladium catalysts supported on acidic fluorinated magnesium hydroxide Pd/MgF2-x(OH)(x) were prepared through precipitation or impregnation methods. Applications to the hydrogenation of various aldimines and ketimines resulted in good catalytic activities at mild temperatures using one atmosphere of hydrogen. Quinolines, pyridines and other N-heterocycles were successfully hydrogenated at higher temperature and hydrogen pressure using low palladium loadings and without the use of any acid additive. Such reactivity trend confirmed the positive effect of the Bronsted and Lewis acid sites from the fluorinated magnesium hydroxide support resulting in the effective pre-activation of N-heterocycle substrates and therefore in the good catalytic activity of the palladium nanoparticles during the hydrogenations. As demonstrated in the hydrogenation of imines, the catalyst was recycled up to 10 times without either loss of activity or palladium leaching.}, issn = {1144-0546}, doi = {10.1039/d1nj03760a}, author = {Kokane, Reshma and Corre, Yann and Kemnitz, Erhard and Dongare, Mohan K. and Agbossou-Niedercorn, Francine and Michon, Christophe and Umbarkar, Shubhangi B.} } @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 {47778, title = {Performance of Aspergillus niger (NCIM 563) phytase based feed supplement for broiler growth and phosphorus excretion}, journal = {Biocatalysis and Agricultural Biotechnology}, volume = {31}, year = {2021}, month = {JAN}, pages = {101887}, type = {Article}, abstract = {Despite availability of commercial enzymes, the phytase produced from relatively inexpensive systems with high yields are gaining global attention in the feed industries in post-antibiotic era. We studied A. niger NCIM 563 Phytase produced in solid state fermentation (SSF) derived Koji powder and evaluated its utility in the poultry feed for broiler growth performance and phosphorous (P) excretion. The ability of phytase in the dried powder was estimated to dephytinize the poultry feed under simulated gastric conditions. Poultry feed was formulated using A. niger NCIM 563 phytase followed by a 42 days feed trial on broilers. After supplementation of phytase to the diet, there was a reduction of dietary P, maintained growth performance, skeletal development of broilers and reduced levels of phytic acid and available P in the litter. Extracellular phytase was able to replace up to 0.1\% P in poultry feed. Minimal downstream processing a low-cost feed supplement with significant phytase activity could provide added advantage for anti-nutrition free poultry feed.}, keywords = {Phosphorus, Phytase, Poultry feed, Solid state fermentation}, isbn = {1878-8181}, doi = {10.1016/j.bcab.2020.101887}, url = {https://www.sciencedirect.com/science/article/pii/S1878818120319186}, author = {Puppala, Kumar Raja and Buddhiwant, Priyanka G. and Agawane, Sachin B. and Kadam, Avinash S. and Mote, Chandrashekhar S. and Lonkar, Vijaysinh D. and Khire, Jayant M. and Dharne, Mahesh S.} } @article {47594, title = {Phosphite mediated asymmetric N to C migration for the synthesis of chiral heterocycles from primary amines}, journal = {Chemical Science}, volume = {12}, year = {2021}, month = {JUL}, pages = {8996-9003}, type = {Article}, abstract = {A phosphite mediated stereoretentive C-H alkylation of N-alkylpyridinium salts derived from chiral primary amines was achieved. The reaction proceeds through the activation of the N-alkylpyridinium salt substrate with a nucleophilic phosphite catalyst, followed by a base mediated [1,2] aza-Wittig rearrangement and subsequent catalyst dissociation for an overall N to C-2 alkyl migration. The scope and degree of stereoretention were studied, and both experimental and theoretical investigations were performed to support an unprecedented aza-Wittig rearrangement-rearomatization sequence. A catalytic enantioselective version starting with racemic starting material and chiral phosphite catalyst was also established following our understanding of the stereoretentive process. This method provides efficient access to tertiary and quaternary stereogenic centers in pyridine systems, which are prevalent in drugs, bioactive natural products, chiral ligands, and catalysts.}, issn = {2041-6520}, doi = {10.1039/d1sc01217g}, author = {Rani, Soniya and Dash, Soumya Ranjan and Bera, Asish and Alam, Md Nirshad and Vanka, Kumar and Maity, Pradip} } @article {47056, title = {Phosphoinositides signaling modulates microglial actin remodeling and phagocytosis in Alzheimer{\textquoteright}s disease}, journal = {Cell Communication and Signaling}, volume = {19}, year = {2021}, month = {FEB}, pages = {28}, type = {Review}, abstract = {

Alzheimer{\textquoteright}s disease is one of the neurodegenerative diseases, characterized by the accumulation of abnormal protein deposits, which disrupts signal transduction in neurons and other glia cells. The pathological protein in neurodegenerative diseases, Tau and amyloid-P contribute to the disrupted microglial signaling pathways, actin cytoskeleton, and cellular receptor expression. The important secondary messenger lipids i.e., phosphatidylinositols are largely affected by protein deposits of amyloid-beta in Alzheimer{\textquoteright}s disease. Phosphatidylinositols are the product of different phosphatidylinositol kinases and the state of phosphorylation at D3, D4, and D5 positions of inositol ring. Phosphatidylinositol 3,4,5-triphosphate (PI 3, 4, 5-P3) involves in phagocytic cup formation, cell polarization, whereas Phosphatidylinositol 4,5-bisphosphate (PI 4, 5-P2)-mediates the process of phagosomes formation and further its fusion with early endosome.. The necessary activation of actin-binding proteins such as Rac, WAVE complex, and ARP2/3 complex for the actin polymerization in the process of phagocytosis, migration is regulated and maintained by PI 3, 4, 5-P3 and PI 4, 5-P2. The ratio and types of fatty acid intake can influence the intracellular secondary lipid messengers along with the cellular content of phaphatidylcholine and phosphatidylethanolamine. The Amyloid-beta deposits and extracellular Tau seeds disrupt phosphatidylinositides level and actin cytoskeletal network that hamper microglial-signaling pathways in AD. We hypothesize that being a lipid species intracellular levels of phosphatidylinositol would be regulated by dietary fatty acids. Further we are interested to understand phosphoinositide-based signaling cascades in phagocytosis and actin remodeling.

}, keywords = {actin remodeling, Alzheimer{\textquoteright}s disease, Dietary fatty acids, Phagocytosis, Phosphoinositides, PI3K signaling}, doi = {10.1186/s12964-021-00715-0}, author = {Desale, Smita Eknath and Chinnathambi, Subashchandrabose} } @article {47061, title = {Photoactivatable prodrug for simultaneous release of mertansine and CO along with a BODIPY derivative as a luminescent marker in mitochondria: a proof of concept for NIR image-guided cancer therapy}, journal = {Chemical Science}, volume = {12}, year = {2021}, month = {FEB}, pages = {2667-2673}, type = {Article}, abstract = {

Controlled and efficient activation is the crucial aspect of designing an effective prodrug. Herein we demonstrate a proof of concept for a light activatable prodrug with desired organelle specificity. Mertansine, a benzoansamacrolide, is an efficient microtubule-targeting compound that binds at or near the vinblastine-binding site in the mitochondrial region to induce mitotic arrest and cell death through apoptosis. Despite its efficacy even in the nanomolar level, this has failed in stage 2 of human clinical trials owing to the lack of drug specificity and the deleterious systemic toxicity. To get around this problem, a recent trend is to develop an antibody-conjugatable maytansinoid with improved tumor/organelle-specificity and lesser systematic toxicity. Endogenous CO is recognized as a regulator of cellular function and for its obligatory role in cell apoptosis. CO blocks the proliferation of cancer cells and effector T cells, and the primary target is reported to be the mitochondria. We report herein a new mitochondria-specific prodrug conjugate (Pro-DC) that undergoes a photocleavage reaction on irradiation with a 400 nm source (1.0 mW cm(-2)) to induce a simultaneous release of the therapeutic components mertansine and CO along with a BODIPY derivative (BODIPY(PPH3)(2)) as a luminescent marker in the mitochondrial matrix. The efficacy of the process is demonstrated using MCF-7 cells and could effectively be visualized by probing the intracellular luminescence of BODIPY(PPH3)(2). This provides a proof-of-concept for designing a prodrug for image-guided combination therapy for mainstream treatment of cancer.

}, issn = {2041-6520}, doi = {10.1039/d0sc06270g}, author = {Tiwari, Rajeshwari and Shinde, Prashant S. and Sreedharan, Sreejesh and Dey, Anik Kumar and Vallis, Katherine A. and Mhaske, Santosh B. and Pramanik, Sumit kumar and Das, Amitava} } @article {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 {47041, title = {Photodynamic sensitizers modulate cytoskeleton structural dynamics in neuronal cells}, journal = {Cytoskeleton}, volume = {78}, year = {2021}, month = {JUN}, pages = {232-248}, type = {Review}, abstract = {

The neuronal cytoskeleton plays a crucial role in maintaining cell integrity and functioning of neurons. Cytoskeleton deformities have been reported to be associated with neurodegenerative diseases thus; cytoskeleton can be targeted for therapeutic strategies. The therapeutic application of photosensitive molecule is termed as photodynamic therapy (PDT). PDT has been applied in the field of dermatology, cancer biology, and antimicrobial therapy. PDT induces several changes in cells, which include induction of apoptosis, DNA damage, and induction of inflammatory response. PDT has been also reported to modulate cytoskeleton such as actin dynamics. The in vitro studies suggested that PDT using dyes such as Toluidine Blue and Rose Bengal effectively modulated the actin cytoskeleton, neurite outgrowth, tubulin, and Tau aggregation. In this review, we focused on the effect of photosensitized molecules on various cytoskeleton proteins. We hypothesize that PDT could have potency against Alzheimer{\textquoteright}s disease and other neurodegenerative disorders.

}, keywords = {Actin, Alzheimer\&apos, cytoskeleton modulation, neuronal cytoskeleton, photodynamic therapy, s disease, Tubulin}, issn = {1949-3584}, doi = {10.1002/cm.21655, Early Access Date = MAR 2021}, author = {Dubey, Tushar and Chinnathambi, Subashchandrabose} } @article {47817, title = {Photodynamic treatment modulates various GTPase and cellular signalling pathways in Tauopathy}, journal = {Small GTPases}, year = {2021}, month = {JUN}, pages = {1-13}, type = {Article}, abstract = {ABSTRACTThe application of photo-excited dyes for treatment is known as photodynamic therapy (PDT). PDT is known to target GTPase proteins in cells, which are the key proteins of diverse signalling cascades which ultimately modulate cell proliferation and death. Cytoskeletal proteins play critical roles in maintaining cell integrity and cell division. Whereas, it was also observed that in neuronal cells PDT modulated actin and tubulin resulting in increased neurite growth and filopodia. Recent studies supported the role of PDT in dissolving the extracellular amyloid beta aggregates and intracellular Tau aggregates, which indicated the potential role of PDT in neurodegeneration. The advancement in the field of PDT led to its clinical approval in treatment of cancers, brain tumour, and dermatological acne. Although several question need to be answered for application of PDT in neuronal cells, but the primary studies gave a hint that it can emerge as potential therapy in neural cells.}, doi = {10.1080/21541248.2021.1940722}, author = {Dubey, Tushar and Chinnathambi, Subashchandrabose} } @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 {47606, title = {Priestia veravalensis sp. nov., isolated from coastal sample}, journal = {Archives of Microbiology}, volume = {203}, year = {2021}, month = {OCT}, pages = {4839-4845}, type = {Article}, abstract = {The taxonomic position of two isolates, SGD-V-76(T) and SGD-M-37, isolated from sediment sample of Veraval coast, India, was examined using the polyphasic taxonomic approach. The morphological and chemotaxonomic characteristics of these two organisms are typical of the genus Priestia. The phylogenetic analyses performed using almost complete 16S rRNA gene sequences demonstrated that the isolate belongs to the Bacillaceae family, and forms a clade within the cluster containing Priestia flexus MTCC 2909(T), Priestia aryabhattai B8W22(T) and Priestia megaterium KCTC 3007(T) and both strains showed highest similarity of > 98\% with 3-29 nucleotide differences. The cell wall contained meso-diaminopimelic acid as the diagnostic diamino acid. The predominant isoprenoid quinone was MK-7 and the G + C content of strains was 37.5-37.7 mol\%. However, the DNA-DNA hybridization and the phenotypic characteristics revealed that, the strain SGD-V-76(T) and strain SGD-M-37 are similar species but different from any known Priestia species with ANI values of 79.2, 79.3 and 79.2 and the dDDH values of 17.7, 17.8 and 18.0\% respectively. On the basis of phenotypic characteristics, phylogenetic analysis and the results of biochemical and physiological tests, and genomic data strain SGD-V-76(T) was clearly distinguished from closely related members of the Priestia genus. Based on the above data analysis strain SGD-V-76(T) (= DSM28242(T) = KCTC33802(T) = CIP111056(T) = NCIM5510(T)) represents a novel species of the genus Priestia, and we propose the name Priestia veravalensis sp. nov.}, keywords = {Coastal sediment, genome, Priestia, Veraval}, issn = {0302-8933}, doi = {10.1007/s00203-021-02418-z}, author = {Wagh, Vasudev S. and Ram, Hari and Dastager, Syed G.} } @article {47134, title = {Probiotics in the prophylaxis of COVID-19: something is better than nothing}, journal = {3 Biotech}, volume = {11}, year = {2021}, month = {JAN}, type = {Review}, abstract = {

The new viral pandemic of COVID-19 is caused by a novel coronavirus (SARS-CoV-2) that has brought the world at another unprecedented crisis in terms of health and economy. The lack of specific therapeutics necessitates other strategies to prevent the spread of infection caused by this previously unknown viral etiological agent. Recent pieces of evidence have shown an association between COVID-19 disease and intestinal dysbiosis. Probiotics comprise living microbes that upon oral administration benefit human health by reshaping the composition of gut microbiota. The close kinship of the gastrointestinal and respiratory tract suggests why the dysfunction of one may incite illness in others. The emerging studies suggest the capability of probiotics to regulate immune responses in the respiratory system. The efficacy of probiotics has been studied previously on several respiratory tract viral infections. Therefore, the purpose of this review is to comprehend existing information on the gut mediated-pulmonary immunity conferred by probiotic bacteria, in the course of respiratory virus infections and administration as a prophylactic measure in COVID-19 pandemic in managing intestinal dysbiosis as well.

}, keywords = {Anti-viral, COVID-19, Gut-lung axis, Probiotics, Respiratory tract infection}, issn = {2190-572X}, doi = {10.1007/s13205-020-02554-1}, author = {Gohil, Kushal and Samson, Rachel and Dastager, Syed and Dharne, Mahesh} } @article {47682, title = {Prominence of Cu in a plasmonic Cu-Ag alloy decorated SiO2@S-doped C3N4 core-shell nanostructured photocatalyst towards enhanced visible light activity}, journal = {Nanoscale Advances}, volume = {4}, year = {2021}, month = {DEC}, pages = {150-162}, type = {Article}, abstract = {A series of Cu-Ag bimetal alloys decorated on SiO2 and the fabrication of few-layer S-doped graphitic carbon nitride (SC) warped over it to form a core-shell nanostructured morphology have been demonstrated and well characterized through various physiochemical techniques. HRTEM data confirmed the formation of a compact nanojunction between the SiO2 and SC, where Cu-Ag is embedded uniformly with an average particle size of 1.3 nm. The Ag : Cu (1 : 3) between SiO2 and SC produces 1730 mu mol h(-1) g(-1) of H-2 under visible light illumination. Moreover, 6.2-fold current enhancement in the case of Ag : Cu (1 : 3) as compared to the Ag-loaded core-shell nanostructured photocatalyst indicates higher electron-hole-pair separation. The excellent activity was due to the synergistic alloying and plasmonic effect of Ag and Cu. DFT studies reveal that the Cu atom in the Cu-Ag bimetal alloy plays a pivotal role in the generation of H-2, and the reaction proceeds via a 4-membered transition state. The mechanistic insight proceeds from the generation of hot electrons due to the LSPR effect and their transfer to the SC layer via a compact nanojunction.}, issn = {2516-0230}, doi = {10.1039/d1na00633a}, author = {Babu, Pradeepta and Dash, Soumya Ranjan and Behera, Arjun and Vijayaraghavan, T. and Ashok, Anuradha and Parida, Kulamani} } @article {47348, title = {Quantitative understanding of nucleation and growth kinetics of silver nanowires}, journal = {Chemical Engineering Journal}, volume = {414}, year = {2021}, month = {JUN}, pages = {128711}, type = {Article}, abstract = {

We have demonstrated that using polyol synthesis, it is possible to prepare high aspect ratio silver nanowires by controlling the experiments for process related issues which are usually ignored, viz. the overhead space in the batch reactor. It is found that by controlling the presence/absence of NOx gases with refluxing of nitric acid in the batch reactor with an overhead space of 80\% volume, near complete conversion (-99\%) of high aspect ratio NWs (-1000) can be attained. We provide a detailed understanding of other factors assisting in rapid polyol synthesis like temperature, stirring rate, Chloride ion concentration, optimal PVP weight ratios and PVP/AgNO3 ratio that can lead to high aspect ratio NWs. Besides the process parameters and reagent concentration effects, kinetic studies based on our nucleation and R-C Model evaluate the overall reaction rate constants for silver nanowires and the JMAK approach is used to theoretically validate our experimental results of the reactor headspace having strongest effect on the aspect ratios. Our study highlights the importance of various complications in the polyol synthesis, through detailed kinetic modelling and affixes values of temperature, reactor headspace, stirring rate and residence time in order to achieve reproducible synthesis of nanowires with complete conversion along with a method to separate these nanowires.

}, keywords = {Conducting inks, growth, Nucleation, Reaction kinetics, Redox-crystallization, Silver Nanowires}, issn = {1385-8947}, doi = {10.1016/j.cej.2021.128711}, author = {Patil, Suneha and Kate, Prachi R. and Deshpande, Jaydeep B. and Kulkarni, Amol A.} } @article {47621, title = {Readily available lithium compounds as catalysts for the hydroboration of carbodiimides and esters}, journal = {Journal of Organometallic Chemistry}, volume = {949}, year = {2021}, month = {SEP 15}, pages = {121924}, type = {Article}, abstract = {Selective and efficient hydroboration of esters and carbodiimides to alcohols and amines by two welldefined and readily accessible lithium complexes, 2,6-di-tert-butyl phenolate lithium (1a ) and 1,1{\textquoteright}-dilithioferrocene (1b ) are described. A range of aliphatic, aromatic, and cyclic esters with various functional groups were selectively converted into the corresponding boronate esters. Similarly, the single hydroboration of carbodiimides with aliphatic and aromatic substituents on the nitrogen atoms was studied. A possible mechanistic pathway of the hydroboration of carbodiimides with HBpin has been proposed using NMR studies and DFT calculations. These reactions are convenient alternatives to stoichiometric hydride reduction or hydrogenation. The employing of lithium complexes is also significant, because of the need to find cheap and green alternatives to noble metal complexes. (C) 2021 Elsevier B.V. All rights reserved.}, issn = {0022-328X}, doi = {10.1016/j.jorganchem.2021.121924}, author = {Bisai, Milan Kumar and Gour, Kritika and Das, Tamal and Vanka, Kumar and Sen, Sakya S.} } @article {47498, title = {Red fluorescent ultra-small gold nanoclusters functionalized with signal molecules to probe specificity in quorum sensing receptors in gram-negative bacteria}, journal = {Archives of Microbiology}, year = {2021}, month = {JUN}, type = {Article; Early Access}, abstract = {Ultra-small (size < 2 nm) gold nanoclusters (AuNCs) are used as fluorescent probes which have excellent applications in bioimaging and sensing due to their emission in visible and NIR spectral region. Here, this property is exploited for understanding the quorum sensing phenomenon in bacteria which is regulated by signal molecules which are specific to various species. AuNCs are then functionalized with the signal molecules, Acyl Homoserine Lactones (AHL) of varying carbon chain length, C-6, C-8, and C-12 without 3rd C modification, to sense different strains of gram-negative bacteria i.e., Escherichia coli, Cronobacter sakazakii and Pseudomonas aeruginosa. In the concentration employed, selectivity to a limited extent is observed between the three Gram-negative bacteria tested. E. coli showed emission with all the AHL conjugates and P. aeruginosa did not interact with any of the three conjugates, whereas C. sakazakii showed specificity to C-8AHL. This is probably due to selectivity for cognate AHL molecules of appropriate concentrations.}, keywords = {acyl homoserine lactone, fluorescence imaging, Gold nanoclusters, quorum sensing, Receptors, selectivity}, issn = {0302-8933}, doi = {10.1007/s00203-021-02338-y, Early Access Date = JUN 2021}, author = {Chahande, Anurag M. and Lathigara, Disha and Prabhune, Asmita A. and Devi, R. Nandini} } @article {47637, title = {Reduction of hydroxyl traps and improved coupling for efficient and stable quantum dot solar cells}, journal = {ACS Applied Materials \& Interfaces}, volume = {13}, year = {2021}, month = {OCT }, pages = {46549-46557}, type = {Article}, abstract = {Progress in quantum dot (QD)-based solar cells has been underpinned by the improvements in surface passivation and advancements in device engineering. Acute control over the surface properties is crucial to restrict the formation of in-gap trap states and improve the QD coupling in achieving conducting QD films. In this report, we demonstrate a solution-phase hybrid passivation strategy, which is beneficial in removing detrimental hydroxyl traps and improving the coupling between QDs by reducing the interdot distance. Advancement in surface passivation is translated to the long carrier lifetime, higher carrier mobility, and superior protection toward degradations in QD solids. The performance of solar cell devices is increased by 26\% to reach an efficiency of 10.6\%, compared to the state-of-the-art lead halide passivated solar cells. The improvement in solar cell performance is supported by the reduction of trap states and an 80 nm increase in thickness of the light-absorbing QD layer.}, keywords = {ligand, mobility, quantum dot, solar cell, surface passivation}, issn = {1944-8244}, doi = {10.1021/acsami.1c11214}, author = {Mandal, Debranjan and Dambhare, V. Neha and Rath, Arup K.} } @article {47752, title = {Resistive switching in HfO2-x/La0.67Sr0.33MnO3 heterostructures: an intriguing case of low H-field susceptibility of an E-field controlled active interface}, journal = {ACS Applied Materials \& Interfaces}, volume = {13}, year = {2021}, month = {NOV }, pages = {54133-54142}, type = {Article}, abstract = {High-performance nonvolatile resistive random access memories (ReRAMs) and their small stimuli control are of immense interest for high-speed computation and big-data processing in the emerging Internet of Things (IoT) arena. Here, we examine the resistive switching (RS) behavior in growth-controlled HfO2/La0.67Sr0.33MnO3 (LSMO) heterostructures and their tunability in a low magnetic field. It is demonstrated that oxygen-deficient HfO2 films show bipolar switching with a high on/off ratio, stable retention, as well as good endurance owing to the orthorhombic-rich phase constitution and charge (de)trapping-enabled Schottky-type conduction. Most importantly, we have demonstrated that RS can be tuned by a very low externally applied magnetic field (similar to 0-30 mT). Remarkably, application of a magnetic field of 30 mT causes RS to be fully quenched and frozen in the high resistive state (HRS) even after the removal of the magnetic field. However, the quenched state could be resurrected by applying a higher bias voltage than the one for initial switching. This is argued to be a consequence of the electronically and ionically {\textquoteleft}{\textquoteleft}active{\textquoteright}{\textquoteright} nature of the HfO2-x/LSMO interface on both sides and its susceptibility to the electric and low magnetic field effects. This result could pave the way for new designs of interface-engineered high-performance oxitronic ReRAM devices.}, keywords = {charge trapping-detrapping, low external magnetic field, oxide-oxide interface, pulsed laser deposition, resistive switching, Schottky barrier}, issn = {1944-8244}, doi = {10.1021/acsami.1c15082}, author = {Antad, Vivek and Shaikh, Parvez A. and Biswas, Abhijit and Rajput, Shatruhan Singh and Deo, Shrinivas and Shelke, V, Manjusha and Patil, Shivprasad and Ogale, Satishchandra} } @article {47063, title = {Rhizobacterial consortium mediated aroma and yield enhancement in basmati and non-basmati rice ( Oryza sativa L.)}, journal = {Journal of Biotechnology}, volume = {328}, year = {2021}, month = {FEB}, pages = {47-58}, type = {Article}, abstract = {

Basmati and non-basmati rice varieties are commercially important. Aromatic rice varieties are low yielding and recently depletion in aroma is observed due to the shift towards modern agriculture. Therefore, it is necessary to restore the aroma and increase the yield through sustainable agriculture. The use of microbial bioinoculants is one of the promising ways to achieve these targets. With these objectives, rhizospheric bacterial strains Enterobacter hormaechei (AM122) and Lysinibacillus xylanilyticus (DB25) having the property of synthesizing 2acetyl-1-pyrroline (2AP) were isolated from the rhizosphere of two aromatic rice varieties, Ambemohar-157 and Dehradun Basmati respectively and their effect on plant growth, aroma and yield enhancement under mono-inoculation and consortium conditions was analyzed. The bacterial inoculum in consortium resulted in significant improvement in vegetative growth, yield and 2AP content over mono inoculation and control. The study highlights the potential of E. hormaechei and L. xylanilyticus in plant growth, yield and aroma enhancement in basmati and non-basmati rice varieties. These strains can be taken up further for developing a commercial bioformulation.

}, keywords = {2-Acetyl-1-pyrroline, Basmati rice, Non-basmati rice, plant growth promotion, Rhizosphere, yield}, issn = {0168-1656}, doi = {10.1016/j.jbiotec.2021.01.012}, author = {Dhondge, Harshal V. and Pable, Anupama A. and Barvkar, Vitthal T. and Dastager, Syed G. and Nadaf, Altafhusain B.} } @article {47641, title = {Role of preparation parameters of Cu-Zn mixed oxide catalyst in solvent free glycerol carbonylation with urea}, journal = {Journal of the Indian Chemical Society}, volume = {98}, year = {2021}, month = {JUL}, pages = {100090}, type = {Article}, abstract = {Solvent-free carbonylation of glycerol with urea to glycerol carbonate (GC) was achieved over heterogeneous Cu-Zn mixed oxide catalyst. Cu-Zn catalysts with different ratios of Cu:Zn were prepared using co-precipitation (CP) and oxalate gel (OG) methods. As compared to CuO-ZnO(2:1) catalyst prepared by oxalate gel (OG) method, much higher conversion of glycerol and highest selectivity towards glycerol carbonate (GC) was achieved with CuO-ZnO_CP(2:1) catalyst. Physicochemical properties of prepared catalysts were investigated by using XRD, FT-IR, BET, TPD of CO2 and NH3 and TEM techniques. The effect of stoichiometric ratio of Cu/Zn, calcination temperature of CuO-ZnO catalysts and effect of reaction parameters such as molar ratio of substrates, time and temperature on glycerol conversion to GC were critically studied. Cu/Zn of 2:1 ratio, glycerol-urea 1:1 molar ratio, 145 degrees C reaction temperatures were found to be optimized reaction conditions to achieve highest glycerol conversion of 86\% and complete selectivity towards GC. The continuous expel of NH 3 from reaction the mixture avoided formation of ammonia complex with CuO-ZnO catalyst. As a result of this, CuO-ZnO catalyst could be recycled up to three times without losing its initial activity.}, keywords = {Co-precipitation (CP), Glycerol, Glycerol carbonate, Oxalate gel (OG)}, issn = {0019-4522}, doi = {10.1016/j.jics.2021.100090}, author = {Charate, Shrinivas and Shinde, Suhas and Kondawar, Sharda and Desai, Uday and Wadgaonkar, Prakash and Rode, Chandrashekhar} } @article {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 {47691, title = {Separation of a diastereomeric diol pair using the mechanical properties of crystals}, journal = {Crystengcomm}, volume = {23}, year = {2021}, month = {OCT}, pages = {7056-7060}, type = {Article}, abstract = {We report the separation of a (2S,3R/S)-3-ethyl-1-phenylhex-5-ene-2,3-diol (ephd) diastereomeric pair with visually indistinguishable acicular morphologies based on their mechanical responses, which is found to be more efficient than conventional separation methods. Furthermore, the molecular crystals of (2S,3R)-ephd show elastic deformation, while (2S,3S)-ephd fractures in a brittle manner under similar conditions.}, doi = {10.1039/d1ce01055g}, author = {Gamidi, Rama Krishna and Dandawate, Monica and Choudhury, Rahul and Tothadi, Srinu and Nangia, Ashwini and Reddy, D. Srinivasa} } @article {47345, title = {Significance of secondary forces toward improving the charge carrier mobility of Isoindigo based conjugated small molecules}, journal = {Chemical Physics Letters}, volume = {774}, year = {2021}, month = {JUL}, pages = {138621}, type = {Article}, abstract = {

The charge carrier mobility of conjugated small molecules (CSMs) depends on the intermolecular interactions and morphology. Herein, we report the synthesis of CSMs having different side chains. Hydrogen bonding, lipophilic imbalance and van der Waals interactions are imparted through the asymmetric substitution of Isoindigo. The secondary forces impact thin film morphology, and charge carrier mobility. The CSMs having van der Waals interaction further shows higher charge carrier mobility as a function of improved morphology, and increased temperature. The highest mobility of 0.15 cm2/Vs has been achieved for CSMs with van der Waals interaction.

}, keywords = {Conjugated small molecules, Isoindigo, mobility, OFET, Secondary force}, issn = {0009-2614}, doi = {10.1016/j.cplett.2021.138621}, author = {Dharmapurikar, Satej S. and Kashmir, Arulraj Arul and Kumari, Tanya and Kalalawe, Virbhadra and Kanetkar, Maruti and Chini, Mrinmoy Kumar} } @article {47405, title = {Silk fibroin and ceramic scaffolds: comparative in vitro studies for bone regeneration}, journal = {Bioengineering \& Translational Medicine}, year = {2021}, month = {APR}, pages = {e10221}, type = {Article; Early Access}, abstract = {

Synthetic bone void fillers based on calcium ceramics are used to fill cavities in the bone and promote bone regeneration. More recently, silk fibroin (SF), a protein polymer obtained from Bombyx mori silkworm, has emerged as a promising material in bone void filling. In this work, we have compared the safety and efficacy of two types of silk fibroin-based bone void fillers with currently used and commercially available ceramic bone void fillers (based on calcium sulphate, beta tricalcium phosphate, and beta tricalcium phosphate with hydroxyapatite). Further, we have also evaluated these two types of SF scaffolds, which have strikingly different structural attributes. The biocompatibility of these scaffolds was comparable as assessed by cytotoxicity assay, cellular adhesion assay, and immunogenic assay. Ability of the scaffolds to support differentiation of human mesenchymal stem cells (hMSCs) into an osteoblastic lineage was also evaluated in an in vitro differentiation experiment using reverse transcriptase polymerase chain reaction analysis. These results revealed that cells cultured on SF scaffolds exhibit higher expression of early to late markers such as Runx2, BMPs, collagen, osterix, osteopontin, and osteocalcin as compared with ceramic-based scaffolds. This observation was further validated by studying the expression of alkaline phosphatase and calcium deposition. We also show that scaffolds made from same material of SF, but characterized by very different pore architectures, have diverse outcome in stem cell differentiation.

}, keywords = {beta tricalcium phosphate, bone regeneration, bone void filler, calcium sulphate, hMSCs, hydroxyapatite, osteoblasts, scaffold, Silk fibroin}, doi = {10.1002/btm2.10221, Early Access Date = APR 2021}, author = {Deshpande, Rucha and Shukla, Swati and Sayyad, Raeesa and Salunke, Shalmali and Nisal, Anuya and Venugopalan, Premnath} } @article {47377, title = {Solvent free, environment benign synthesis of 1,4-dihydropyridines and polyhydroquinolines by using heterogeneous Zn/MCM-41 catalyst}, journal = {Research on Chemical Intermediates}, volume = {47}, year = {2021}, month = {AUG}, pages = {3263-3287}, type = {Article}, abstract = {

Heterogeneous catalysis has been utilized in number of efficient reactions with higher selectivity of the product, more stable, reusable and easy for separation as compared to homogeneous catalysts. Generally, heterogeneous catalysts are prepared by using mesoporous materials, microporous materials, metal oxides and metal organic framework. The mesoporous materials have small particle size and high surface area as compared to the microporous materials. The adsorbent mesoporous materials have highly efficient for the therapeutic applications in chemistry hence it has best as compared to other heterogeneous materials. Herein, we have reported synthesis of 1,4-dihydropyridines and polyhydroquinolines at solvent free and environmental benign condition in the presence of Zn/MCM-41 catalyst. The present protocol gives excellent yield (89-96\%) of the product within short reaction time by easy work up procedure and no need of further purification of product. The catalyst was characterized by XRD diffractometer, SEM, EDAX, TGA-DTA, BET surface area analysis and FT-IR Spectroscopy. The synthesized organic compounds were characterized by FT-IR, H-1 NMR, C-13 NMR, LC-MS spectrometry.

}, keywords = {High activity, High selectivity, mesoporous materials, microporous materials, Reusability of catalyst}, issn = {0922-6168}, doi = {10.1007/s11164-021-04473-z, Early Access Date = APR 2021}, author = {Dhengale, Shankar D. and Naik, Vaibhav M. and Kolekar, Govind B. and Rode, Chandrashekhar V. and Anbhule, Prashant V.} } @article {47442, title = {Spatio-temporal resolution of taxonomic and functional microbiome of Lonar soda lake of India reveals metabolic potential for bioremediation}, journal = {Chemosphere}, volume = {264}, year = {2021}, month = {FEB}, pages = {128574}, type = {Article}, abstract = {

Lonar Lake, India; a hypersaline and hyperalkaline extremophilic ecosystem having a unique microbial population has been rarely explored for bioremediation aspects. MinION-based shotgun sequencing was used to comprehensively compare the microbial diversity and functional potential of xenobiotic degradation pathways with seasonal changes. Proteobacteria and Firmicutes were prevalent bacterial phyla in the pre-monsoon and post-monsoon samples. Functional analysis from SEED-subsystem and KEGG database revealed 28 subsystems and 18 metabolic pathways for the metabolism of aromatic compounds and xenobiotic biodegradation respectively. Occurrence of N-phenyl alkanoic, benzoate, biphenyl, chloroaromatic, naphthalene, and phenol degradation genes depicted varied abundance in the pre-monsoon and post-monsoon samples. Further, KEGG analysis indicated nitrotoluene degradation pathway (ko00633) abundant in post-monsoon samples, and the benzoate degradation pathway (ko00362) predominant in 19LN4S (pre-monsoon) than 18LN7S (post-monsoon) samples. The abundant genes for benzoate degradation were pcaI: 3-oxoadipate CoA-transferase, alpha subunit, pcaH: protocatechuate 3,4-dioxygenase, beta subunit, and pcaB: 3-carboxy-cis, cis-muconate cycloisomerase, and 4-oxalocrotonate tautomerase. This metagenomic study provides a unique blueprint of hitherto unexplored xenobiotic biodegradation genes/pathways in terms of seasonal variations in the Lonar Lake, and warrants active exploitation of microbes for bioremediation purposes.

}, doi = {10.1016/j.chemosphere.2020.128574}, author = {Chakraborty, Jaya and Rajput, Vinay and Sapkale, Vibhavari and Kamble, Sanjay and Dharne, Mahesh} } @article {47744, title = {Stabilization of Azapeptides by N-amide center dot center dot center dot H-N-amide Hydrogen Bonds}, journal = {Organic Letters}, volume = {23}, year = {2021}, month = {JUL }, pages = {4949-4954}, type = {Article}, abstract = {An unusual N-amide center dot center dot center dot H-Namide hydrogen bond (HB) was previously proposed to stabilize the azapeptide beta-turns. Herein we provide experimental evidence for the N-amide center dot center dot center dot H-Namide HB and show that this HB endows a stabilization of 1-3 kcal.mol(-1) and enforces the trans-cis-trans (t-c-t) and cis-cis-trans (c-c-t) amide bond conformations in azapeptides and N-methyl-azapeptides, respectively. Our results indicate that these N-amide center dot center dot center dot H-Namide HBs can have stabilizing contributions even in short azapeptides that cannot fold to form beta-turns.}, issn = {1523-7060}, doi = {10.1021/acs.orglett.1c01111}, author = {Baruah, Kalpita and Sahariah, Biswajit and Sakpal, Sushil S. and Deka, Jugal Kishore Rai and Bar, Arun Kumar and Bagchi, Sayan and Sarma, Bani Kanta} } @article {47693, title = {Structure-property correlation of halogen substituted benzothiazole crystals}, journal = {Journal of Molecular Structure}, volume = {1243}, year = {2021}, month = {NOV }, pages = {130765}, type = {Article}, abstract = {We have synthesized 3 benzothiazole crystals (1-3) based on existing knowledge of combining flexibility and optical properties towards achieving applications for flexible optoelectronics. However, one crystal was found to be elastically bendable and was found to comply necessary packing features for elasticity. Other two crystals do not obey packing features for elasticity hence they are brittle in nature. Further, Hirshfeld analysis illustrates that elastic crystal 1 possess more number of weak and dispersive interactions compared to other crystals. These interactions were instrumental in invoking elasticity. Moreover, crystals 1-3 were found to be fluorescent as well at specific excitation wavelengths. Therefore, among these crystals, particularly crystal 1 is considered as more promising candidate for flexible optoelectronics. (C) 2021 Elsevier B.V. All rights reserved.}, keywords = {Benzothiazole crystals, Elasticity, Halogen bond, mechanical properties}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2021.130765}, author = {Thekkeppat, Nipun P. and Singla, Labhini and Tothadi, Srinu and Das, Priyadip and Choudhury, Angshuman Roy and Ghosh, Soumyajit} } @article {47729, title = {Structure-tailored non-noble metal-based ternary chalcogenide nanocrystals for pt-like electrocatalytic hydrogen production}, journal = {ChemSusChem}, volume = {14}, year = {2021}, month = {AUG }, pages = {3074-3083}, type = {Article}, abstract = {A facile microwave-assisted strategy was employed to synthesize Ni3Bi2S2 nanocrystals. Variation in the synthesis conditions tuned the composition of monoclinic and orthorhombic phases of Ni3Bi2S2. The electrochemical hydrogen evolution activity of the catalyst with highest percentage of monoclinic phase demonstrated a negligible onset potential of only 24 mV close to that of state-of-the-art Pt/C with an overpotential as low as 88 mV. Density functional theory calculations predicted the monoclinic phase exhibit the lowest adsorption free energy corresponding to hydrogen adsorption (Delta GadsH*) and, therefore, the highest hydrogen evolution activity amongst the considered phases. The quasi-2D structure of monoclinic phase facilitated an increased charge-transfer between Ni and Bi, favoring the downward shift of the d-band center to enhance the catalytic activity.}, keywords = {charge transfer, electrocatalysis, hydrogen evolution reaction, Nanomaterials, ternary chalcogenides}, issn = {1864-5631}, doi = {10.1002/cssc.202100967}, author = {Sarkar, Shreya and Rawat, Abhishek and Das, Tisita and Gaboardi, Mattia and Chakraborty, Sudip and Vinod, C. P. and Peter, Sebastian C.} } @article {47382, title = {Substrate, catalyst, and solvent: the triune nature of multitasking reagents in hydroboration and cyanosilylation}, journal = {Organometallics}, volume = {40}, year = {2021}, month = {APR}, pages = {1104-1112}, type = {Article}, abstract = {

A truly green chemical process would avoid the use of an external catalyst, while still achieving high efficiency. This has been realized in the very recent past for hydroboration, cyanosilylation, acetalization, and the aza-Michael addition, among other reactions. The current combined computational and experimental study unlocks the secret to how this highly desirable outcome is accomplished: one of the reactants in the process also acts as the catalyst. Specifically, this is shown (i) for the important hydroboration reaction, with pinacolborane (HBpin) as the hydroborating reagent and benzaldehyde, acetophenone, benzoic acid and p-methoxyphenylacetylene as the hydroborated substrates, and (ii) for cyanosilylation, with trimethylcyanosilane (TMSCN) as the cyanosilylating agent and benzaldehyde as the substrate. The mechanistic understanding thus gained has then been further exploited experimentally to bring hydroboration and cyanosilylation closer to experimental conditions in catalysis. These insights can potentially be expanded to the rapidly growing area of solvent-free and internal catalyst chemistry.

}, issn = {0276-7333}, doi = {10.1021/acs.organomet.1c00070}, author = {Dixit, Ruchi and Bisai, Milan Kumar and Yadav, Sandeep and Yadav, Vinita and Sen, Sakya S. and Vanka, Kumar} } @article {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 {47311, title = {Synergistic effect of B site co-doping with Co and Ce in bifunctional oxygen electrocatalysis by oxygen deficient brownmillerite Ba2In2O5}, journal = {Catalysis Today}, volume = {375}, year = {2021}, month = {SEP}, pages = {494-500}, type = {Article}, abstract = {

Specificity in oxygen reduction and evolution reactions is pivotal in bifunctional catalysts in advanced energy devices which are expected to be active in a wide potential window and stable in both electrochemically reducing and oxidising atmospheres. State of the art noble metal catalysts for these reactions are fraught with issues whereas, metal oxides are expected to be stable in large potential window and can be tuned to have better bifunctional activity. Catalytically active metals, redox centres, oxygen vacancies etc. are some of the features of structured oxides which can be exploited in oxygen electrocatalysis. Brownmillerite family of compounds with general formula, A2B2O5\ has high concentrations of ordered oxygen vacancy in a layer and can be promising bifunctional oxygen electrocatalysts, by appropriate B site doping. Ba2In2O5\ is a well-studied system for its oxide ion conductivity and proximity of active B sites to O vacancies provide good O adsorption sites which are catalytically active. Here, cobalt and cerium are co-doped in Ba2In2O5, anticipating a synergistic effect of Ce(III)/Ce(IV) redox centre in ORR and Co activity in OER along with O vacancies providing adsorption sites. We have studied the structural changes associated with the doping by Rietveld refinement of the XRD patterns and correlated the structure to bifunctional oxygen electrocatalytic activity which is found to enhance on increasing the Co and Ce content.

}, doi = {10.1016/j.cattod.2020.05.046}, author = {Thundiyil, Shibin and Kurungot, Sreekumar and Devi, R. Nandini} } @article {47740, title = {Synergistic electronic coupling/cross-talk between the isolated metal halide units of zero dimensional heterometallic (Sb, Mn) halide hybrid with enhanced emission}, journal = {Journal of Materials Chemistry C}, volume = {10}, year = {2021}, month = {DEC }, pages = {360-370}, type = {Article}, abstract = {Heterometallic 0D metal halide hybrids, consisting of more than one kind of metal halide units, are anticipated to manifest synergistic effects on the photo-physical properties of the constituent metal halide units. Such architectures hold great promise for design and development of function-targeted materials. However, heterometallic 0D hybrids, featuring isolated metal halide units, typically do not show any synergistic effects due to large inter-unit spatial separations that inhibit interactions/coupling between the constituent metal halide units. It remains challenging to design synthetic strategies that would support structural modifications to allow synergistic electronic coupling between the metal halide units in heterometallic 0D hybrids. Here, we report synthesis and characterization of heterometallic (Sb, Mn) 0D hybrid, namely Tris SbMnCl, with isolated MnCl5 units, (Sb/Mn)Cl-6 units, dispersed in the organic ligand matrix and layer of dynamic and networked water molecules. Steady state and time resolved emission spectra (TRES) analysis suggests strong synergistic interaction between the isolated metal halide units. Efficient energy transfer from the strongly absorbing Sb centres to emissive Mn centres results in the observed enhanced emission. Proton conductivity measurements together with first-principles calculations suggest the unique role of the networked water molecules in mediating the electronic coupling/energy transfer between the separated metal halide units in Tris SbMnCl hybrid. This report highlights the role of structure/composition of the synthesized heterometallic 0D hybrid in attaining electronic dimensionality higher than 0D through synergistic electronic interaction between the isolated metal halide units.}, issn = {2050-7526}, doi = {10.1039/d1tc04704c}, author = {Biswas, Anupam and Bakthavatsalam, Rangarajan and Das, Deep K. and Sam, Jisvin and Mali, Bhupendra P. and Biswas, Chinmoy and Maana, Narugopal and Thomson, Stuart and Raavi, Sai Santosh Kumar and Kurungot, Sreekumar and Gonnade, Rajesh G. and Dutta, Sudipta and Kundu, Janardan} } @article {47031, title = {Synthesis and characterization of LAGP-glass-ceramics-based composite solid polymer electrolyte for solid-state Li-ion battery application}, journal = {Journal of Non-Crystalline Solids}, volume = {558}, year = {2021}, month = {APR }, pages = {120654}, type = {Article}, abstract = {

Solid State Electrolytes (SSEs) are the future alternatives of the present conventional liquid electrolytes in terms of safety, high temperature stability and also good electrochemical performance. Glass (G), based on Lithium Aluminium Germanium Phosphate (LAGP) was prepared and converted into glass-ceramics (GC) by optimized heating schedule. The crystalline LAGP has Na Super Ionic CONductor (NASICON) type unit cell where the lithium ions hop between two different positions providing long range ionic motion. To improve the inter electrode surface resistance and cell performance, Composite Solid Electrolyte (CSE) was prepared with poly (vinylidene fluoride-co-hexaflurophoaphate) (P(VDF-HFP)), 20wt\% LAGP, Lithium bis(trifluoromethanesulfonyl)imide (LiTFSI) and 1-Ethyl-3-methylimidazolium bis-(trifluoromethylsulfonyl)-imide (EMITFSI). X-ray diffraction patterns confirm the formation of the NASICON phase in LAGP GC and the amorphous nature of the CSE. NMR studies confirm formation of the Ge/AlO6 octahedra and PO4 tetrahedra inside the crystal. 7Li NMR also confirmed two different Lithium sites in LAGP crystal. The ionic conductivity values of CSE and LAGP GC are (4.49 +/- 0.31) x 10(-3)Scm(-1) and (2.70 +/- 0.04) x 10(-4)Scm(-1), respectively. The thermal stability of the prepared CSE is tested upto 315 degrees C without any degradation. Two cells (Cell-I \& Cell-II) were fabricated using the LAGP GC and CSE respectively. Cell-II shows the specific discharge capacity of 151mAhg1 at 50th cycle which is higher as compared to Cell-I (129mAhg(-1)) when tested at the C-rate of 0.05 degrees C.

}, keywords = {Lithium germanium phosphate, NASICON, Solid state electrolyte, Solid state NMR}, issn = {0022-3093}, doi = {10.1016/j.jnoncrysol.2021.120654}, author = {Das, Anurup and Goswami, Madhumita and Illath, Kavya and Ajithkumar, T. G. and Arya, A. and Krishnan, M.} } @article {47605, title = {Synthesis of four diastereomers of notoryne and their C-13 NMR chemical shifts analysis}, journal = {Journal of Chemical Sciences}, volume = {133}, year = {2021}, month = {SEP}, pages = {76}, type = {Article}, abstract = {In this manuscript we document the details of the synthesis of four diastereomers of notoryne. The synthesis of one of the diastereomer having a similar relative stereochemistry of substituents on the both THF rings like notoryne, however, being the relative stereochemistry between the bridging carbon of these two THF units is changed from anti to syn has been executed mainly to learn how the ring carbon chemical shifts vary with this change. Interestingly, the deviations are found mainly for the carbons of THF ring that bears the Br-group. In addition to this isomer, three more diastereomers having the relative stereochemistry of substituents on either of the THF rings varied have been also synthesized. All four diastereomers have been subjected for extensive NMR studies and their C-13 NMR chemical shifts have been compared with notoryne and laurendecumenyne B. In addition, chemical shifts for the four diastereomers along with these natural products were calculated with the help of DFT calculations and compared to the experimentally obtained chemical shift values.}, issn = {0974-3626}, doi = {10.1007/s12039-021-01929-y}, author = {Senapati, Sibadatta and Das, Shyamsundar and Dixit, Ruchi and Vanka, Kumar and Ramana, V, Chepuri} } @article {47662, title = {Systematic search for a predictor for the clinical observables of alzheimer{\textquoteright}s disease}, journal = {Journal of Physical Chemistry B}, volume = {125}, year = {2021}, month = {NOV }, pages = {12177-12186}, type = {Article}, abstract = {One of the prevailing life-threatening incurable neurodegenerative diseases that are presently endangering human society as a whole, and hence, baffling the entire spectrum of the scientific and pharmaceutical world, is Alzheimer{\textquoteright}s disease (AD). AD is a manifestation of self-assembly of both wild-type (sporadic) and mutated (familial) forms of the amyloid-beta peptide, a proteolytic product of the amyloid precursor protein, where the self-assembly results in the genesis of pathogenic fibrillar aggregates. Currently prevailing diagnostic and hence therapeutic challenges originate from the unavailability of a specific predictor for clinical observables. The continuous emergence of novel pathogenic mutants with unpredictable phenotypes adds immensely to the nonspecific nature of the problem. The current research reports a simple physical parameter, the binding affinity of a protofilament to its protofibril, which predicts the clinical observables of familial AD with astounding accuracy and more importantly, without any adjustable parameters.}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.1c06725}, author = {Das, Atanu} } @article {47705, title = {Total synthesis of the pseudoindoxyl class of natural products}, journal = {Organic \& Biomolecular Chemistry}, volume = {19}, year = {2021}, month = {OCT}, pages = {7970-7994}, type = {Review}, abstract = {The pseudoindoxyl sub-structural motif, amongst the large set of the indole class of alkaloids, represents a unique subset of the oxygenated indole class of the alkaloid family. A majority of this class of natural products contains complex bridged/polycyclic scaffolds with interesting biological profiles. They are thus attractive synthetic targets. Starting from 1963, twenty-eight natural products having the pseudoindoxyl scaffold have been isolated, among which the synthesis of 13 natural products has been accomplished. In this review, we highlight the completed as well as the formal total synthesis of the natural products with a spiro-pseudoindoxyl ring, with a focus on their development. The challenges and the future perspective based on the recent developments in the field will also be discussed. We strongly believe that this review will not only update but also attract the attention of researchers in dealing with the synthesis of pseudoindoxyl compounds.}, issn = {1477-0520}, doi = {10.1039/d1ob01285a}, author = {Dhote, Pawan S. and Patel, Pitambar and Vanka, Kumar and Ramana, Chepuri V.} } @article {47402, title = {Total synthesis of twelve membered resorcyclic acid lactones, (R)-penicimenolide A, (R)-resorcyclide and (R)-dihydroresorcyclide}, journal = {Tetrahedron}, volume = {85}, year = {2021}, month = {APR}, pages = {132059}, type = {Article}, abstract = {

Resorcyclic Acid Lactones or RALs are a class of fungal secondary polyketides isolated from a variety of fungal strains like Lasiodiplodia theobromae, Penicillium sp., Syncephalastrum racemosum etc. This class of macrocyclic lactones are found to exhibit a broad spectrum of biological activities and are of significant synthetic importance. Herein, we report the first total synthesis of (R)-penicimenolide A, twelve membered RAL (RAL12) isolated from Penicillium sp. (NO. SYP-F-7919). Besides, we also report the total synthesis of two other members, namely, (R)-trans-resorcyclide and (R)-dihydroresorcyclide. In the course of synthesis, we have utilized ring closing metathesis (RCM) as the key step in constructing the core macrolactone scaffold. (C) 2021 Elsevier Ltd. All rights reserved.

}, keywords = {Macrocycle, Natural product, organic synthesis, Total synthesis}, issn = {0040-4020}, doi = {10.1016/j.tet.2021.132059}, author = {Das, Pronay and Reddy, D. Srinivasa} } @article {47604, title = {Transition of a deep eutectic solution to aqueous solution: a dynamical perspective of the dissolved solute}, journal = {Journal of Physical Chemistry Letters}, volume = {12}, year = {2021}, month = {SEP}, pages = {8784-8789}, type = {Article}, abstract = {Disruption of the deep eutectic solvent (DES) nanostructure around the dissolved solute upon addition of water is investigated by polarization-selective two-dimensional infrared spectroscopy and molecular dynamics simulations. The heterogeneous DES nanostructure around the solute is partially retained up to 41 wt \% of added water, although water molecules are gradually incorporated in the solute{\textquoteright}s solvation shell even at lower hydration levels. Beyond 41 wt \%, the solute is observed to be preferentially solvated by water. This composition denotes the upper hydration limit of the deep eutectic solvent above which the solute senses an aqueous solvation environment. Interestingly, our results indicate that the transition from a deep eutectic solvation environment to an aqueous one around the dissolved solute can happen at a hydration level lower than that reported for the {\textquoteleft}{\textquoteleft}water in DES{\textquoteright}{\textquoteright} to {\textquoteleft}{\textquoteleft}DES in water{\textquoteright}{\textquoteright} transition.}, issn = {1948-7185}, doi = {10.1021/acs.jpclett.1c02118}, author = {Sakpal, Sushil S. and Deshmukh, Samadhan H. and Chatterjee, Srijan and Ghosh, Deborin and Bagchi, Sayan} } @article {47613, title = {Translating SARS-CoV-2 wastewater-based epidemiology for prioritizing mass vaccination: a strategic overview}, journal = {Environmental Science and Pollution Research}, volume = {28}, year = {2021}, month = {AUG}, pages = {42975-42980}, type = {Article}, abstract = {The inception of the novel coronavirus has forced the world into despair. Rapid progress has been made in addressing the situation, and various clinical diagnostic methods were developed for early detection of transmission. However, with a rapidly increasing number of infected populations worldwide, the testing of each individual was impractical. The wastewater-based epidemiology (WBE) has been implemented to evaluate disease outbreaks as an early warning system for pandemic preparedness. Numerous studies reported the presence of SARS-CoV-2 in the open drains and STPs across the globe via recovery efficiency of surrogate virus from existing virus concentration protocols. However, the such reported studies did not justify the use of WBE to identify or pinpoint the specific hotspots of transmission which could be prioritized for rapid efforts to contain or accelerate active vaccination efforts. Identifying precise locations of hotspots could be an essential aspect in controlling the outbreak and surge of wave by prioritizing the region for primary outbreak response. This article focuses on the issues relating to the primary focus for WBE that can be adapted, and its suitability for utilization in the mass vaccination program is discussed. Effective use of WBE information in terms of source tracking might be crucial as we move towards mass vaccination to control outbreaks of COVID-19 pandemic.}, keywords = {Epidemiology, Policy making, SARS-CoV-2, Vaccination, wastewater}, issn = {0944-1344}, doi = {10.1007/s11356-021-15169-7}, author = {Dharmadhikari, Tanmay and Yadav, Rakeshkumar and Dastager, Syed and Dharne, Mahesh} } @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 {47654, title = {Unsymmetrical sp(2)-sp(3) disilenes}, journal = {Angewandte Chemie-International Edition}, volume = {60}, year = {2021}, month = {SEP }, pages = {20706-20710}, type = {Article}, abstract = {Disilenes with differently coordinated silicon atoms are not known. Here, we have shown the high yield synthesis of a range of disilenes (2-4 and 6) upon reaction of a hypersilyl silylene PhC(NtBu)(2)SiSi(SiMe3)(3) (1) with aliphatic chlorophosphines. The most striking characteristic of these disilenes is the presence of two differently coordinated Si atoms (one is three-coordinated, the other four-coordinated). The analogous reaction with Ph2PCl did not afford the desired disilene, but, surprisingly, led to the first tetraphosphinosilane (8). DFT calculations were performed to understand the bonding in disilenes and differences in reactivity of the complexes.}, keywords = {chlorophosphine, DFT, disilene, hypersilylsilylene}, issn = {1433-7851}, doi = {10.1002/anie.202107847}, author = {Bisai, Milan Kumar and Das, Tamal and Vanka, Kumar and Gonnade, Rajesh G. and Sen, Sakya S.} } @article {47105, title = {Unveiling the roles of lattice strain and descriptor species on pt-like oxygen reduction activity in Pd-Bi catalysts}, journal = {ACS Catalysis}, volume = {11}, year = {2021}, month = {JAN}, pages = {800-808}, type = {Article}, abstract = {

A facile non-template-assisted mechanical ball milling technique was employed to generate a PdBi alloy catalyst. The induced lattice strain upon the milling time caused a shift of the d-band center, thereby enhancing the oxygen reduction reaction (ORR) catalytic activity. Additionally, the Pd-O reduction potential and adsorbed OH coverage used as descriptors stipulated the cause of the enhanced ORR activity upon the increased milling interval. Redox properties of surface Pd are directly correlated with a positive shift in the Pd-O reduction potential and OH surface coverage. Hence, by deconvoluting the lattice strain and the role of the descriptor species we achieved a catalyst system with a specific activity 5.4X higher than that of commercial Pt/C, as well as an improved durability. The experimental observation is well-corroborated by a theoretical simulation done by inducing strain to the system externally.

}, keywords = {charge-transfer, electrocatalysis, fuel cell, Lattice strain, oxygen reduction, Pt-like activity}, issn = {2155-5435}, doi = {10.1021/acscatal.0c03415}, author = {Sarkar, Shreya and Ramarao, S. D. and Das, Tisita and Das, Risov and Vinod, C. P. and Chakraborty, Sudip and Peter, Sebastian C.} } @article {47679, title = {Upgrading lignin derived monomers over basic supported metal catalysts}, journal = {Fuel}, volume = {306}, year = {2021}, month = {DEC}, pages = {121588}, type = {Article}, abstract = {Catalytic upgradation of aromatic monomers derived from lignin depolymerization is of high interest for the production of sustainable fuels and chemicals. Basic support has potential to provide advantages of better substrate-support interaction and reduced coke formation. Hence, we report the effect of various basic supports for metal catalysts (Pt, Pd, Ru) on the upgradation of phenol, guaiacol and eugenol. The complete hydrogenation product is achieved due to the strong interaction of the substrate with catalyst. Phenol is converted (55\%) into cyclohexanol (49\% yield) with low loading of Pt catalyst (1 wt\%), supported by the higher TON of 1 wt\% Pt/NaX (TON = 14844) than 3 wt\% Pt/NaX (TON = 5128). Effect of basic support with moderate (NaX) and strong (CHT) basic strengths are corelated for the higher cyclohexanone formation. Presence of strong basic sites and higher TON of 3 wt\% C-HT (TON = 6806) directs the significant substrate-support interaction. Catalytic activity and recyclability are supported by the comparable performance of recycle runs and characterizations of the fresh and spent catalysts.}, keywords = {aromatic monomers, Hydrogenation, lignin, Solid bases, supported metal catalyst, Upgradation}, issn = {0016-2361}, doi = {10.1016/j.fuel.2021.121588}, author = {Chaudhary, Richa and Dhepe, Paresh L.} } @article {48108, title = {2,4-Di-tert-butylphenol (2,4-DTBP) purified from streptomyces sp. KCA1 from phyllanthus niruri: isolation, characterization, antibacterial and anticancer properties}, journal = {Journal of King Saud University Science}, volume = {34}, year = {2022}, month = {JUL}, pages = {102088}, type = {Article}, abstract = {

Objectives: The present study reports the bioactivity of 2,4-Di-tert-butylphenol (2,4-DTBP) purified from an endophytic Streptomyces species KCA1 isolated from the leaves of Phyllanthus niruri and its antibacterial and anticancer properties. Methods: The extracellular metabolites were produced from the strain KCA1 by submerged fermentation using ethyl acetate. The crude extract was further evaluated for antibacterial activity against set of pathogens. Active metabolite from the extract was purified using chromatography techniques and detected its antibacterial activity by disc diffusion assay. The molecular structure of the active molecule was identified through various spectral study. Moreover, the bioactive metabolite 2,4-DTBP was analyzed antibacterial and anti-proliferative activity. Results: Strain KCA1 was identified as Streptomyces sp. In the preliminary screening, the crude extract exhibited broad spectrum activity against various bacterial pathogens. Based on the spectral properties, the active metabolite was identified as 2,4-Di-tert-butylphenol. The MIC of active compound 2,4-DTBP inhibited E. coli ATCC 25922 and S. aureus ATCC 29213 at 50 lg/ml and 0.78 lg/ml, respectively. The IC50 value of 2,4-DTBP was found to be 11.0 lg/ml and 116.8 lg/ml, against breast cancer cell line (MCF7) and normal VERO cell line, respectively. Conclusions: This study concluded that 2,4-DTBP, produced from the endophytic Streptomyces sp. KCA1, is the potential candidate to develop as promising antibacterial and anticancer agent. (C) 2022 The Authors. Published by Elsevier B.V. on behalf of King Saud University.

}, keywords = {2, 4-Di-tert-butylphenol, Antibacterial, antiproliferative activity, Endophytic Streptomyces}, issn = {1018-3647}, doi = {10.1016/j.jksus.2022.102088}, author = {Seenivasan, Ayswarya and Manikkam, Radhakrishnan and Kaari, Manigundan and Sahu, Amit Kumar and Said, Madhukar and Dastager, Syed G.} } @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 {48112, title = {3D x-ray microtomography investigations on the bimodal porosity and high sulfur impregnation in 3D carbon foam for Li-S battery application}, journal = {Journal of Physics-Energy}, volume = {4}, year = {2022}, month = {JAN }, pages = {014003}, type = {Article}, abstract = {

Lithium-sulfur (Li-S) batteries, regarded as one of the most promising alternatives to current state-of-the-art rechargeable Li-ion battery technologies, have received tremendous attention as potential candidates for next-generation portable electronics and the rapidly advancing electric vehicle market. However, substantial capacity decay, miserable cycle life, and meagre stability remain critical challenges. More specifically, shuttling of polysulfide (Li2S (x) (3 \< x \<= 8)) species severely hinders the cycle performance resulting in capacity fade and cycling instability. In the present work, a highly conducting three-dimensional (3D) carbon nanofiber (CNF) foam has been synthesized using the lyophilization method followed by thermal pyrolysis. The highly porous foam materials have a bimodal porosity distribution in the nano and micro regime and were successfully investigated to serve as a potential host for sulfur species intended for Li-S battery application. 3D x-ray microtomography was employed to estimate the nature of sulfur impregnation and distribution in the 3D porous networks. On utilizing the final product as cathode material, sulfur impregnated carbonized CNF foam and modified the separator with functionalized multiwalled carbon nanotubes delivered a specific capacity of similar to 845 mAh g(-1) at 100 mA g(-1).

}, keywords = {bimodal porosity, CNF foam, Li-S battery, microtomography}, issn = {2515-7655}, doi = {10.1088/2515-7655/ac4c34}, author = {Thripuranthaka, M. and Chaturvedi, Vikash and Dwivedi, Pravin Kumari and Torris, Arun and Shelke, V. Manjusha} } @article {48189, title = {Acetic acid-catalyzed regioselective C(sp(2))-H bond functionalization of indolizines: concomitant involvement of synthetic and theoretical studies}, journal = {Journal of Organic Chemistry}, volume = {87}, year = {2022}, month = {APR}, pages = {5097-5112}, type = {Article}, abstract = {

An atom economical and environmentally benign protocol has been developed for the regioselective C(sp2)-H bondfunctionalization of indolizines. The acetic acid-catalyzed cross-coupling reaction proceeds under metal-free conditions, producing awide range of synthetically useful indolizine derivatives. The present protocol showed good functional group tolerance and broadsubstrate scope in good to excellent yields. Quantum mechanical investigation using density functional theory (DFT) has played acrucial role in understanding that acetic acid is the key player in determining the actual pathway as the catalyst and its ultrafastnature. Different pathways involving inter- and intramolecular proton transfer, with or without acetic acid, were investigated.Calculated results revealed that a proton shuttle mechanism is involved for the least energetic, most favorable acetic acid-catalyzedpathway. Furthermore, regioselectivity has also been explained theoretically.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.1c03019}, author = {Mane, Kishor D. and Mukherjee, Anirban and Das, Gourab Kanti and Suryavanshi, Gurunath} } @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 {47989, title = {Allosteric modulation of the chemokine receptor-chemokine CXCR4-CXCL12 complex by tyrosine sulfation}, journal = {International Journal of Biological Macromolecules}, volume = {206}, year = {2022}, month = {MAY }, pages = {812-822}, type = {Article}, abstract = {

The chemokine receptor CXCR4 and its cognate ligand CXCL12 mediate pathways that lead to cell migration and chemotaxis. Although the structural details of related receptor-ligand complexes have been resolved, the roles of the N-terminal domain of the receptor and post-translational sulfation that are determinants of ligand selectivity and affinity remain unclear. Here, we analyze the structural dynamics induced by receptor sulfation by combining molecular dynamics, docking and network analysis. The sulfotyrosine residues, 7YsN-term, 12Ys(N-term) and 21Ys(N-term) allow the N-terminal domain of the apo-sulfated receptor to adopt an {\textquoteleft}{\textquoteleft}open {\textquoteleft}{\textquoteleft} conformation that appears to facilitate ligand binding. The overall topology of the CXCR4-CXCL12 complex is independent of the sulfation state, but an extensive network of protein-protein interactions characterizes the sulfated receptor, in line with its increased ligand affinity. The altered interactions of sulfotyrosine residues, such as 21Ys(N-term)- 47R(CXCL12) replacing the 21Y(N-term)-13F(CXCL12) interaction, propagate via allosteric pathways towards the receptor lumen. In particular, our results suggest that the experimentally-reported receptor-ligand interactions 262D(6.58)- 8R(CXCL12) and 277E(7.28)-12R(CXCL12) could be dependent on the sulfation state of the receptor and need to be carefully analyzed. Our work is an important step in understanding chemokine-receptor interactions and how post-translational modifications could modulate receptor-ligand complexes.

}, keywords = {Allosteric communication pathway, Atomistic molecular dynamics simulations, G protein-coupled receptor, Ligand binding, Post-translational modification, Protein-protein interface}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2022.03.078}, author = {Sonawani, Archana and Kharche, Shalmali and Dasgupta, Debjani and Sengupta, Durba} } @article {48005, title = {Alpha-, beta- and gamma-cellulose quantification and two-stage concentrated-dilute acid lignin recovery from three rice husks: lignin characterization and depolymerization}, journal = {Waste and Biomass Valorization}, volume = {13}, year = {2022}, month = {JUN}, pages = {2963-2977}, type = {Article}, abstract = {

Investigations on the compositional analysis of lignocellulosic materials and their properties upon recovery are essential to be studied in order to examine the effects of recovery method, their dependency on the substrate, etc. In this work, three rice husks (RHs) samples were subjected for alpha-, beta- and gamma-cellulose, pentosan, and silica quantifications. Correlations between the source of biomass, lignin recovery by two-stage concentrated and dilute sulphuric acid treatment, their properties and their depolymerization into low molecular mass aromatic fractions using homogeneous and heterogeneous Bronsted acidic ionic liquids as catalysts, is carried out. Correlation between the properties of RHs and recovered lignin were performed using destructive (CHNS, TGA, ICP-OES, etc.) and non-destructive (XRD, UV-Visible, FT-IR, and C-13 CP-MAS NMR) analytical techniques. It was observed that the recovered lignin was polysaccharides free and associated with dibenzodioxocin, spirodienone, and tricin type moieties with variable intensities. The effects of lignin structures showed a change of depolymerisation product pattern. [GRAPHICS] .

}, keywords = {Holocellulose, Homogeneous and heterogeneous catalysts, lignin, Rice husks}, issn = {1877-2641}, doi = {10.1007/s12649-022-01704-1}, author = {Singh, Sandip K. and Dhepe, Paresh L.} } @article {47987, title = {Alpha-angelica lactone catalyzed oxidation of pyrrolidines to lactams}, journal = {European Journal of Organic Chemistry}, volume = {2022}, year = {2022}, month = {AUG}, pages = {e202200712}, type = {Article}, abstract = {

Herein, we report an efficient protocol for the synthesis of gamma-lactams from pyrrolidines and oxygen. The strategy follows a two-step process involving an initial generation alpha-amino alkyl radicals from pyrrolidines and oxygen in presence of 4-dimethylaminopyridine (DMAP) followed by trapping of the radical with oxygen species. This protocol demonstrates good functional group acceptance and provides a direct method to access gamma-lactams. The lactam derivatives were obtained in up to 98 \% yield.

}, keywords = {alpha-Amino alkyl radicals, alpha-Angelica lactone, lactams, Oxidation, Pyrrolidines}, issn = {1434-193X}, doi = {10.1002/ejoc.202200712}, author = {Deepake, Siddharth K. and Kumar, Manish and Kumar, Pawan and Das, Utpal} } @article {48014, title = {Antifungal compound from marine Serratia marcescens BKACT and its potential activity against Fusarium sp.}, journal = {International Microbiology}, volume = {25}, year = {2022}, month = {NOV}, pages = {851-862}, type = {Article}, abstract = {

Ecofriendly biocontrol agents to control pathogenic fungi are in demand globally. The present study evaluated the antifungal potentials of marine bacteria Serratia marcescens BKACT against eight different Fusarium species. A highest 75.5 +/- 0.80\% of mycelial inhibition was observed against Fusarium foetens NCIM 1330. Structural characterization of the purified compound was analyzed by GC-MS and NMR techniques; based on the analysis, it is confirmed as 2, 4-di-tert butyl phenol (2, 4-DTBP) with chemical structure C14H22O. At 0.53 mM concentration, purified compound inhibited complete spore germination of F. foetens NCIM 1330. In vitro assay showed complete inhibition of F. foetens NCIM 1330 on the wheat seeds. Tested concentration does not show any toxic effect on germination of the seeds. By this study, we conclude that, 2, 4-DTBP is a suitable candidate to be used as biocontrol agent against Fusarium infection.

}, keywords = {2, 4, di-tert butyl phenol, Fusarium sp, marine, Serratia marcescens}, issn = {1139-6709}, doi = {10.1007/s10123-022-00268-3}, author = {Kharat, Bharat A. and Said, Madhukar S. and Dastager, Syed G.} } @article {48116, title = {Antimicrobial two-dimensional covalent organic nanosheets (2D-CONs) for the fast and highly efficient capture and recovery of phosphate ions from water}, journal = {Journal of Materials Chemistry A}, volume = {10}, year = {2022}, month = {MAR }, pages = {4585-4593}, type = {Article}, abstract = {

The retrieval of depleting resources from wastewater could help resolve the mounting demands for resources in our society. Phosphate is an essential nutrient for all living things. However, the diminution of global reserves of phosphate rock could significantly affect our food security in the near future. At the same time, the removal of phosphates and pathogens is of great importance for water security and de-eutrophication. The specific pH-dependent adsorption and desorption of phosphate ions by water-insoluble adsorbents is an exciting strategy for removing and recovering phosphates from contaminated water. Herein, we report the development of new two-dimensional guanidine-containing covalent organic nanosheets (2D-gCONs). This water-insoluble amorphous polymer (exfoliated) selectively sequestered phosphate ions in the presence of other competing anions and could be reused for multiple cycles. The polymer showed a fast removal of phosphate ions with a maximum adsorption capacity of 398 mg g(-1) (pH 7.0). The sequestered phosphate ions could be easily reclaimed, and the polymer could be recycled just by altering the pH (similar to 10.0) of the aqueous solution. The guanidinium moieties played a pivotal role in exfoliation in aqueous medium and in the antibacterial activities against Gram-negative and Gram-positive bacteria. We hypothesize that the current study may advance the design of water-insoluble CONs to remove and recover phosphate ions from wastewater and could help alleviate the negative impact of water eutrophication. This strategy can also be tweaked to address other severe environmental challenges.

}, issn = {2050-7488}, doi = {10.1039/d1ta10911a}, author = {Dey, Subhasis and Das, Sribash and Patel, Anjali and Raj, K. Vipin and Vanka, Kumar and Manna, Debasis} } @article {48407, title = {Artificial intelligence in microbial natural product drug discovery: current and emerging role}, journal = {Natural Product Reports}, volume = {39}, year = {2022}, month = {DEC}, pages = {2215-2230}, type = {Review}, abstract = {

Covering: up to the end of 2022 Microorganisms are exceptional sources of a wide array of unique natural products and play a significant role in drug discovery. During the golden era, several life-saving antibiotics and anticancer agents were isolated from microbes; moreover, they are still widely used. However, difficulties in the isolation methods and repeated discoveries of the same molecules have caused a setback in the past. Artificial intelligence (AI) has had a profound impact on various research fields, and its application allows the effective performance of data analyses and predictions. With the advances in omics, it is possible to obtain a wealth of information for the identification, isolation, and target prediction of secondary metabolites. In this review, we discuss drug discovery based on natural products from microorganisms with the help of AI and machine learning.

}, issn = {0265-0568}, doi = {10.1039/d2np00035k}, author = {SahayaSheela, Vinodh J. and Lankadasari, Manendra B. and Dan, Vipin Mohan and Dastager, Syed G. and Pandian, Ganesh N. and Sugiyama, Hiroshi} } @article {48379, title = {Association-dissociation dynamics of ionic electrolytes in low dielectric medium}, journal = {Journal of Physical Chemistry B}, volume = {126}, year = {2022}, month = {JAN}, pages = {239-248}, type = {Article}, abstract = {

Ionic electrolytes are known to form various complexes which exist in dynamic equilibrium in a low dielectric medium. However, structural characterization of these complexes has always posed a great challenge to the scientific community. An additional challenge is the estimation of the dynamic association-dissociation time scales (lifetime of the complexes), which are key to the fundamental understanding of ion transport. In this work, we have used a combination of infrared absorption spectroscopy, two-dimensional infrared spectroscopy, molecular dynamics simulations, and density functional theory calculations to characterize the various ion complexes formed by the thiocyanate-based ionic electrolytes as a function of different cations in a low dielectric medium. Our results demonstrate that thiocyanate is an excellent vibrational reporter of the heterogeneous ion complexes undergoing association-dissociation dynamics. We find that the ionic electrolytes exist as contact ion pairs, dimers, and clusters in a low dielectric medium. The relative ratios of the various ion complexes are sensitive to the cations. In addition to the interactions between the thiocyanate anion and the countercation, the solute-solvent interactions drive the dynamic equilibrium. We have estimated the association-dissociation dynamics time scales from two-dimensional infrared spectroscopy. The exchange time scale involving the cluster is faster than that between a dimer and an ion pair. Moreover, we find that the dynamic equilibrium between the cluster and another ion complex is correlated to the solvent fluctuations.

}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.1c08613}, author = {Ghosh, Deborin and Sakpal, Sushil S. and Chatterjee, Srijan and Deshmukh, Samadhan H. and Kwon, Hyejin and Kim, Yung Sam and Bagchi, Sayan} } @article {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 {47995, title = {Blend of neem oil based polyesteramide as magnetic nanofiber mat for efficient cancer therapy}, journal = {Journal of Drug Delivery Science and Technology}, volume = {75}, year = {2022}, month = {SEP}, pages = {103629}, type = {Article}, abstract = {

Stearic acid-coated magnetic nanoparticles (SMN) and FU (5-Fluorouracil) were immobilized in the blends of neem oil-based polyesteramide and fabricated as nanofiber mat (NM) for controlled release of FU under the influence of an external magnetic field for targeted drug delivery to treat cancer efficiently. Analyzed the surface morphology of the fibers using E-SEM, it was observed that the fibers were smooth with the diameter ranging from 250 to 450 nm. TEM studies showed the uniform distribution of SMN in the nanofibers. The physico-chemical properties of NM and raw materials were analyzed using FTIR, TGA, and XRD. The results suggested that the polymers were well blended. In-vitro FU release studies of the NMs recorded a significant difference in the cumulative percentage of FU release from SMN-NMs. The SMN-NMs released 95\% of FU in 4 h, whereas, NMs released 83\% of FU in 24 h. The cell viability assay for the NM was evaluated in the L929 mouse fibroblast cells, where \>75\% of cells were viable. The hemolysis assay for the developed SMN-NF showed \<5\% of hemolysis, which indicated the NMs were safe for application. The anti-cancer activity of FU loaded SMN-NF was analyzed in the MCF-7 cancer cell line, which recorded more than 50\% cell death within 24 h. From SQUID analysis, we found that the 10\% SMN were superparamagnetic in nature, the magnetization at 30 kOe was observed to be 4.3 emu/g. Based on the in vitro results, we concluded that the developed SMN-NMs are recommended for in vivo studies to understand their efficacy for the targeted drug delivery to treat cancer.

}, keywords = {5-Fluorouracil, drug release, electrospinning, Magnetic nanoparticles, nanofibers, Stearic acid}, issn = {1773-2247}, doi = {10.1016/j.jddst.2022.103629}, author = {Patel, Pratikshkumar R. and Singam, Amarnath and Dadwal, Arun and Gundloori, Rathna Venkata Naga} } @article {48192, title = {Case report: a fatal case of babesiosis in a splenectomized male patient from Western India}, journal = {American Journal of Tropical Medicine and Hygiene}, volume = {106}, year = {2022}, month = {MAY}, pages = {1421-1425}, type = {Article}, abstract = {

Human babesiosis is a rare disease, caused by Babesia species and commonly transmitted by tick bite. Although human babesiosis is known to be asymptomatic in immunocompetent hosts, clinical cases of severe babesiosis have been reported from splenectomized or immunocompromised individuals. To our knowledge, only one case of human babesiosis in India has been previously reported. Here, we report a case of severe babesiosis with high parasitemia (similar to 70\%) in a 30-year-old asplenic farmer. The patient presented with fever, yellowish discoloration of skin, oliguria, and anemia; he eventually developed multiorgan failure syndrome and died. Peripheral blood films were prepared and used to confirm the presence of piroplasms by microscopy. Total DNA isolated from blood was used for 18S ribosomal RNA gene fragment amplification by polymerase chain reaction, which was subjected to Sanger sequencing. Although 18S sequence indicated that the Babesia species infecting the patient was similar to that of other Babesia species originating from wild mammals, species identification could not be done. Phylogenetic analysis revealed that the patientderived pathogen is distinct because it forms a separate clade in the cladogram.

}, issn = {0002-9637}, doi = {10.4269/ajtmh.20-1118}, author = {Godbole, Ravi and Gaur, Avantika and Nayar, Priyanka and Kiruthiga, Kala and D{\textquoteright}Costa, Pradeep and Manchanda, Rumma and Khilari, Ajinkya and Shanmugam, Dhanasekaran and Muglikar, Kalpana D. and Kundu, Krishnendu} } @article {47895, title = {Catalytic activity of CuFe2O4 spinel oxide for liquid-phase oxidation of cinnamyl alcohol}, journal = {ChemistrySelect}, volume = {7}, year = {2022}, month = {FEB}, pages = {e202104441}, type = {Article}, abstract = {

CuFe2O4 spinel oxide catalyst was synthesized by sol-gel and co-precipitation methods for liquid phase oxidation of Cinnamyl alcohol (CnOH) to Cinnamaldehydes (CnHO) using tert-Butyl hydroperoxide (TBHP) as oxidising agent. Spinel oxide catalyst was characterized by different techniques such as X-ray diffraction (XRD), N-2 adsorption-desorption, BET surface area, and X-ray photoelectron spectroscopy (XPS) to understand the structural, physical properties and oxidation state of the catalyst. The result shows that catalyst prepared by sol-gel method was found higher surface area and smaller crystalline size than co-precipitation method. XPS data confirm the formation of Cu2+ in the spinel which helps to improve the catalytic activity of oxidation. This reaction follows radical mechanism, and exhibited 76.7 \% of CnOH conversion and 68.4 \% of CnHO, and 24.8 \% benzaldehyde (benzald) selectivity using TBHP at 60 degrees C. Kinetic data reveal that 41.2 kJ/mol of activation energy for the reaction. The higher activity of spinel oxide catalyst could be due synergetic effect of spinel (88 \%) and oxides (12 \%) formed in the catalyst, which helps to provide the oxygen during reaction. The contribution of Cu2+ is higher in sol-gel than co-precipitation, which may provide the better reactivity of catalyst. This work helps to select the effective and cost-effective catalyst for the oxidation of CnOH.

}, keywords = {Catalysts, Cinnamaldehyde, Cinnamyl Alcohol, Cupper, iron, oxide, spinel}, issn = {2365-6549}, doi = {10.1002/slct.202104441}, author = {Dange, Rutvija M. and Niphadkar, Prashant S. and Bokade, Vijay V. and Nandanwar, Sachin U.} } @article {48020, title = {C-O hydrogenolysis of C3-C4 polyols selectively to terminal diols over Pt/W/SBA-15 catalysts}, journal = {Catalysts}, volume = {12}, year = {2022}, month = {SEP}, pages = {1070}, type = {Article}, abstract = {

Pt/W/SBA-15 catalysts (with Pt-loading = 0.5-4 wt\% and W-loading = 1 wt\%) prepared by the sequential impregnation method were evaluated for selective C-O cleavage of erythritol and glycerol in an aqueous medium. The Pt and W particles dispersed on SBA-15 approached close proximity at higher Pt loadings and afforded synergistic enhancement in C-O hydrogenolysis activity/selectivity. 1,4-Butanediol yields of 30.9\% (at 190 degrees C, 50 bar H-2 and 24 h) and 1,3-propanediol yields of 34.4\% (at 190 degrees C, 50 bar H-2 and 12 h of reaction) were obtained over these catalysts. Pt nanoparticles (facilitating dissociative H-2 adsorption and spillover) and W (present as acidic oligomeric WOx species; activating and coordinating the polyol via 1 degrees-OH group) worked in tandem for the selective hydrogenolysis of polyols yielding terminal diols of industrial demand.

}, keywords = {diol, Erythritol, Glycerol, Hydrodeoxygenation, Pt, SBA-15, W}, doi = {10.3390/catal12091070}, author = {Bhowmik, Susmita and Enjamuri, Nagasuresh and Marimuthu, Banu and Darbha, Srinivas} } @article {48152, title = {Comparative study of polycaprolactone electrospun fibers and casting films enriched with carbon and nitrogen sources and their potential use in water bioremediation}, journal = {Membranes}, volume = {12}, year = {2022}, month = {MAR}, pages = {327}, type = {Article}, abstract = {

Augmenting bacterial growth is of great interest to the biotechnological industry. Hence, the effect of poly (caprolactone) fibrous scaffolds to promote the growth of different bacterial strains of biological and industrial interest was evaluated. Furthermore, different types of carbon (glucose, fructose, lactose and galactose) and nitrogen sources (yeast extract, glycine, peptone and urea) were added to the scaffold to determinate their influence in bacterial growth. Bacterial growth was observed by scanning electron microscopy; thermal characteristics were also evaluated; bacterial cell growth was measured by ultraviolet-visible spectrophotometry at 600-nm. Fibers produced have an average diameter between 313 to 766 nm, with 44\% superficial porosity of the scaffolds, a glass transition around similar to 64 degrees C and a critical temperature of similar to 338 degrees C. The fibrous scaffold increased the cell growth of Escherichia coli by 23\% at 72 h, while Pseudomonas aeruginosa and Staphylococcus aureus increased by 36\% and 95\% respectively at 48 h, when compared to the normal growth of their respective bacterial cultures. However, no significant difference in bacterial growth between the scaffolds and the casted films could be observed. Cell growth depended on a combination of several factors: type of bacteria, carbon or nitrogen sources, casted films or 3D scaffolds. Microscopy showed traces of a biofilm formation around 3 h in culture of P. aeruginosa. Water bioremediation studies showed that P. aeruginosa on poly (caprolactone)/Glucose fibers was effective in removing 87\% of chromium in 8 h.

}, keywords = {bacterial growth, carbon source, electrospinning, nitrogen source, poly (caprolactone)}, doi = {10.3390/membranes12030327}, author = {Alejandra Pompa-Monroy, Daniella and Leticia Iglesias, Ana and Gulam Dastager, Syed and Namdeo Thorat, Meghana and Olivas-Sarabia, Amelia and Valdez-Castro, Ricardo and Angelica Hurtado-Ayala, Lilia and Manuel Cornejo-Bravo, Jose and Lizeth Perez-Gonzalez, Graciela and Jesus Villarreal-Gomez, Luis} } @article {47893, title = {Competing intra- vs intermolecular nitrene transfer in the [Au]-catalysed reaction of 2-alkynylphenylazides}, journal = {Advanced Synthesis \& Catalysis}, volume = {364}, year = {2022}, month = {MAR}, pages = {1122-1133}, type = {Article}, abstract = {

The possibility of interrupting the gold-catalysed intramolecular cyclization of 2-alkynylphenylazide derivatives, employing known nitrene transfer reagents such as anthranil and its isomer 1,2-benzisoxazole, has been attempted in search of developing simple tools for product diversification. With 1,2-benzisoxazoles, the intermolecular nitrene transfer leading to quinazoline is competitive with intramolecular azidoalkyne cyclization resulting in spiro indol-3-ylidene derivatives. However, in case of the reaction in the presence of anthranil, both intra- and intermolecular nitrene transfer processes result in the same product indol-3-ylidene.

}, keywords = {2-Benzisoxazole, Anthranil and 1, Gold catalysis, Nitrene Transfer, Quinazoline}, issn = {1615-4150}, doi = {10.1002/adsc.202101412}, author = {Dhote, Pawan S. and Ramana, V. Chepuri} } @article {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 {48122, title = {Co-Ni layered double hydroxide for the electrocatalytic oxidation of organic molecules: an approach to lowering the overall cell voltage for the water splitting process}, journal = {ACS Applied Materials \& Interfaces}, volume = {14}, year = {2022}, month = {APR}, pages = {16222-16232}, type = {Article}, abstract = {

Electrocatalytic oxidation of simple organic molecules oilers a promising strategy to combat the sluggish kinetics of the water oxidation reaction (WOR). The low potential requirement, inhibition of the crossover of gases, and formation of value-added products at the anode are benefits of the electrocatalytic oxidation of organic molecules. Herein, we developed cobalt-nickel-based layered double hydroxide (LDH) as a robust material for the electrocatalytic oxidation of alcohols and urea at the anode, replacing the WOR. A facile synthesis protocol to form LDHs with different ratios of Co and Ni is adapted. It demonstrates that the reactants could be efficiently oxidized to concomitant chemical products at the anode. The half-cell study shows an onset potential of 1.30 V for benzyl alcohol oxidation reaction (BAOR), 1.36 V for glycerol oxidation reaction (GOR), 1.33 V for ethanol oxidation reaction (EOR), and 1.32 V for urea oxidation reaction (UOR) compared with 1.53 V for WOR. Notably, the hybrid electrolyzer in a full-cell configuration significantly reduces the overall cell voltage at a 20 mA cm(-2) current density by similar to 15\% while coupling with the BAOR, EOR, and GOR and similar to 12\% with the UOR as the anodic half-cell reaction. Furthermore, the efficiency of hydrogen generation remains unhampered with the types of oxidation reactions (alcohols and urea) occurring at the anode. This work demonstrates the prospects of lowering the overall cell voltage in the case of a water electrolyzer by integrating the hydrogen evolution reaction with suitable organic molecule oxidation.

}, keywords = {electrocatalytic oxidation, energy conversion, imidazole mediated, Layered compounds, water splitting}, issn = {1944-8244}, doi = {10.1021/acsami.2c00982}, author = {Shilpa, Nagaraju and Pandikassala, Ajmal and Krishnaraj, Perayil and Walko, Priyanka S. and Devi, R. Nandini and Kurungot, Sreekumar} } @article {48222, title = {Controlled modulation of the structure and luminescence properties of zero-dimensional manganese halide hybrids through structure-directing metal-ion (Cd2+ and Zn2+) centers}, journal = {Inorganic Chemistry}, volume = {61}, year = {2022}, month = {APR}, pages = {5363-5372}, type = {Article}, abstract = {

Zero-dimensional (0D) metal halide hybrids with high exciton binding energy are excellent materials for lighting applications. Controlling/modulating the structure of the con-stituent metal halide units allows tunability of their photo-luminescence properties. 0D manganese halide hybrids are currently attracting research efforts in lighting applications due to their eco-friendly and strong emission. However, structural transformation-induced tunability of their photophysical propertieshas rarely been reported. Herein, we demonstrate a rationalsynthetic strategy to modulate the structure and luminescenceproperties of 0D Mn(II) halide hybrids utilizing the structure-directing d10metal ions (Cd2+/Zn2+). 0D metal halide hybrids ofCd2+/Zn2+, which act as hosts with tunable structures, accept Mn2+ions as substitutional dopants. This structural flexibility of thehost d10metal ions is realized by optimizing the metal-to-ligand ratio (Cd/AEPip). This reaction parameter allows structuraltransformation from an octahedral (AEPipCdMnBrOh) to a tetrahedral (AEPipCdMnBrTd) 0D Mn halide hybrid with tunableluminescence (orange -\> green) with high photoluminescence quantum yield. Interestingly, when Zn2+is utilized, a tetrahedralAEPipZnMnBr structure forms exclusively with strong green emission. Optical and single-crystal X-ray diffraction structural analysisof the host and the doped system supports our experimental data and confirms the structure-directing role played by Cd2+/Zn2+centers. This work demonstrates a rational strategy to modulate the structure/luminescence properties of 0D Mn(II) halide hybrids, which can further be implemented for other 0D metal halide hybrids

}, issn = {0020-1669}, doi = {10.1021/acs.inorgchem.2c00160}, author = {Das, Deep Kumar and Bakthavatsalam, Rangarajan and Anilkumar, Vishnu and Mali, Bhupendra P. and Ahmed, Md Soif and Raavi, Sai Santosh Kumar and Pallepogu, Raghavaiah and Kundu, Janardan} } @article {48372, title = {Conventional and microwave-assisted organic synthesis of novel antimycobacterial agents bearing furan and pyridine hybrids}, journal = {Drug Development Research}, volume = {83}, year = {2022}, month = {APR}, pages = {416-431}, type = {Article}, abstract = {

Drug resistance in tuberculosis poses a serious threat to humanity because currently available antitubercular drugs are ineffective against Mycobacterium tuberculosis (M. tuberculosis). As a result, the approval of Bedaquiline and Delamanid for the treatment of drug-resistant tuberculosis was accelerated. Still, there is an urgent need to search for new antitubercular drugs with novel mechanisms of action (MoA). Due to this, we have designed a synthetic strategy by utilizing microwave-assisted organic synthesis. We have compared our method with the conventional procedure, and the data show that our procedure is more effective in the preparation of title compounds. A unique series of 1-(2-(furan-2-yl)-5-(pyridin-4-yl)-1,3,4-oxadiazol-3(2H)-yl)-3-(aryl)-pr op-2-en-1-ones (5a-o) was synthesized utilizing conventional and microwave-assisted techniques. Synthetic compounds were investigated for antitubercular activity against Mycobacterium TB H37Ra and Mycobacterium bovis (M. bovis). Compound 5b was reported to be the most effective against M. tuberculosis H37Ra (97.69 percent inhibition at 30 mu g/ml) and M. bovis (97.09 percent inhibition at 30 mu g/ml). An in silico binding affinity study of mycobacterial enoyl-acyl carrier protein reductase (InhA) reveals the binding mechanism and thermodynamic interactions that determine these molecule{\textquoteright}s binding affinity. Compound 5b had a high glide score of -8.991 and low glide energy of -49.893 kcal/mol.

}, keywords = {Antitubercular activity, microwave-assisted organic synthesis, Molecular docking}, issn = {0272-4391}, doi = {10.1002/ddr.21872}, author = {Desai, Nisheeth C. and Bhatt, Kandarp and Jadeja, Dharmpalsinh J. and Mehta, Harsh K. and Khedkar, Vijay M. and Sarkar, Dhiman} } @article {48207, title = {Copper(II) import and reduction are dependent on His-Met clusters in the extracellular amino terminus of human copper transporter-1}, journal = {Journal of Biological Chemistry}, volume = {298}, year = {2022}, month = {MAR}, pages = {101631}, type = {Article}, abstract = {

Copper(I) is an essential metal for all life forms. Though Cu(II) is the most abundant and stable state, its reduction to Cu(I) via an unclear mechanism is prerequisite for its bioutilization. In eukaryotes, the copper transporter-1(CTR1) is the primary high-affinity copper importer, although its mechanism and role in Cu(II) reduction remain uncharacterized. Here we show that extracellular amino-terminus of human CTR1 contains two methionine-histidine clusters and neighboring aspartates that distinctly bind Cu(I) and Cu(II) preceding its import. We determined that hCTR1 localizes at the basolateral membrane of polarized MDCK-II cells and that its endocytosis to Common-Recycling-Endosomes is regulated by reduction of Cu(II) to Cu(I) and subsequent Cu(I) coordination by the methionine cluster. We demonstrate the transient binding of both Cu(II) and Cu(I) during the reduction process is facilitated by aspartates that also act as another crucial determinant of hCTR1 endocytosis. Mutating the first Methionine cluster ((7)Met-Gly-Met(9)) and Asp(13)( )abrogated copper uptake and endocytosis upon copper treatment. This phenotype could be reverted by treating the cells with reduced and nonreoxidizable Cu(I). We show that histidine clusters, on other hand, bind Cu(II) and are crucial for hCTR1 functioning at limiting copper. Finally, we show that two N-terminal His-Met-Asp clusters exhibit functional complementarity, as the second cluster is sufficient to preserve copper-induced CTR1 endocytosis upon complete deletion of the first cluster. We propose a novel and detailed mechanism by which the two His-Met-Asp residues of hCTR1 amino-terminus not only bind copper, but also maintain its reduced state, crucial for intracellular uptake.

}, doi = {10.1016/j.jbc.2022.101631}, author = {Kar, Sumanta and Sen, Samarpita and Maji, Saptarshi and Saraf, Deepashri and Ruturaj and Paul, Rupam and Dutt, Sohini and Mondal, Basudeb and Rodriguez-Boulan, Enrique and Schreiner, Ryan and Sengupta, Durba and Gupta, Arnab} } @article {47624, title = {COVID-19 associated mucormycosis: evolving technologies for early and rapid diagnosis}, journal = {3 Biotech}, volume = {12}, year = {2022}, month = {JAN}, pages = {6}, type = {Review}, abstract = {The post-coronavirus disease (COVID-19) mucormycosis is a deadly addition to the pandemic spectrum. Although it{\textquoteright}s a rare, aggressive, and opportunistic disease, the associated morbidity and mortality are significant. The complex interplay of factors aggravating CAM is uncontrolled diabetes, irrational and excessive use of antibiotics, steroids, and an impaired immune system. Recently, India has been witnessing a rapid surge in the cases of coronavirus disease-associated mucormycosis (CAM), since the second wave of COVID-19. The devastating and lethal implications of CAM had now become a matter of global attention. A delayed diagnosis is often associated with a poor prognosis. Therefore, the rapid and early diagnosis of infection would be life-saving. Prevention and effective management of mucormycosis depend upon its early and accurate diagnosis followed by a multimodal therapeutic approach. The current review summarizes an array of detection methods and highlights certain evolving technologies for early and rapid diagnosis of CAM. Furthermore, several potential management strategies have also been discussed, which would aid in tackling the neglected yet fatal crisis of mucormycosis associated with COVID-19.}, keywords = {Biosensors, COVID-19, Diagnostics, Mucormycosis, Probiotics}, issn = {2190-572X}, doi = {10.1007/s13205-021-03080-4}, author = {Samson, Rachel and Dharne, Mahesh} } @article {48121, title = {Crystalline xylitol production from corncob biomass with oral toxicity analysis}, journal = {Industrial Crops and Products}, volume = {187}, year = {2022}, month = {NOV }, pages = {115407}, type = {Article}, abstract = {

Xylitol, a five-carbon sugar alcohol, has a steady global market and finds application as a natural sugar substitute in various food and confectionery products. Biocatalytic xylitol production, although touted as a greener alternative to conventional chemical catalysis, suffers from certain challenges, the primary being high cost of production. This study demonstrates a process for food-grade xylitol production from corncob biomass with energy reduction through two major process modifications. A non-conventional fermentation strategy was adopted whereby adjusting aeration without agitation, xylitol with high yield (0.86 +/- 0.015 g/g), and productivity (0.74 gL(-1)h(-1)) could be produced by a GRAS Pichia caribbica MTCC 5703 strain. Xylitol was recovered from the broth in the form of crystals using a combination of membrane-based filtration and crystallization. The crystals demonstrated similar to 98 \% purity when quantified with H-1 NMR. Oral toxicity analysis of the crystals demonstrated no adverse effect in female Winstar rats (at a loading of 2000 mg/kg body weight of animals). Overall process statistics showed that 0.584 kg of food-grade xylitol crystals could be produced from 3.5 kg of corncob biomass. The two-process modifications during fermentation and xylitol recovery enabled an energy saving of similar to 20.842 kW/kg of crystals, providing tremendous advantages for biorefinery-based large-scale xylitol production from corncob biomass.

}, keywords = {Biomass, Fermentation, Oral toxicity analysis, Wastewater treatment, xylitol}, issn = {0926-6690}, doi = {10.1016/j.indcrop.2022.115407}, author = {Ahuja, Vishal and Dasgupta, Diptarka and Kshirsagar, Siddheshwar and Ghosh, Prasenjit and More, Snehal and Gupta, Piyush and Behera, Babita and Bhaskar, Thallada} } @article {47797, title = {Degradation of API pollutants using hydrodynamic cavitation and process intensification}, journal = {Chemical Engineering and Processing - Process Intensification}, volume = {172}, year = {2022}, month = {FEB}, pages = {108799}, type = {Article}, abstract = {Degradation of Naproxen, a common nonsteroidal anti-inflammatory drug as a model compound, has been reported using hydrodynamic cavitation (HC) and process intensification. Two types of cavitating devices, vortex diode that employs vortex flow and a conventional linear flow based device, orifice have been investigated for their effectiveness in degradation. Process intensification was carried out by employing simple aeration and also by addition of oxidising agent, hydrogen peroxide (H2O2). Vortex diode required significantly lower pressure drop (1.5~bar) compared to the orifice (5~bar). A high extent of degradation, 67\%, was possible using the process intensification; representing a very high enhancement, to an extent of more than 200\%, by combining HC+H2O2. The degradation of naproxen progresses via intermediates formation and intermediates also eventually get gradually degraded. The kinetics of degradation was evaluated using per pass degradation model and for the different approaches, confirming higher per-pass degradation in the vortex diode and for the process intensification. The cavitational yield in HC+H2O2+aeration using vortex diode (23.4~{\texttimes}~10-5~mg/J) was \~{} 5 times greater than that for orifice (4.5~{\texttimes}~10-5~mg/J). The present study clearly highlights utility of process intensification approach for the degradation of active pharmaceutical ingredients (API) pollutants for increased efficacy.}, keywords = {Naproxen: Oxidation, Pharmaceutical, pollution, Wastewater treatment}, issn = {0255-2701}, doi = {10.1016/j.cep.2022.108799}, author = {Divya Dixit and Pooja Thanekar and Vinay M. Bhandari} } @article {48069, title = {Direct (hetero)arylation (DHAP) polymerization of conjugated polymers - new A-B-A monomer design for P(NDI2OD-T2) \& the challenges of adopting DHAP for continuous flow processes}, journal = {Journal of Materials Chemistry C}, volume = {10}, year = {2022}, month = {SEP}, pages = {13025-13039}, type = {Article}, abstract = {

P(NDI2OD-T2), also known as Polyera ActivInk N2200, was synthesized by the atom-economic direct hetero arylation polymerization (DHAP) route using a newly designed A-B-A monomer. The new monomer design involved flanking naphthalene diimide with bithiophene units in the bay position, which was further polymerized with bay substituted 1,4-dibromo naphthalene diimide, to afford the same polymer structure as P(NDI2OD-T2). The new monomer design resulted in a very high molecular weight (M-n: 99.5 kDa, D-M: 2.8) defect-free polymer in a quantitative yield by the DHAP batch process using 1,2,4-trichlorobenzene (TCB) as the solvent. DFT studies revealed that the abstraction of the alpha-proton from the naphthalene diimide substituted 2,2 {\textquoteleft}-bithiophene was favorable by 2.6 kcal mol(-1) (Delta Delta G) as compared to that from 2,2 {\textquoteleft}-bithiophene. The reason for this improved C-H activation at the alpha position can be attributed to the presence of C-HMIDLINE HORIZONTAL ELLIPSIS pi stabilizing interactions in naphthalene diimide substituted 2,2 {\textquoteleft}-bithiophene, which strengthens upon the extended charge delocalization throughout the ring, thus stabilizing the conjugate base generated after the proton abstraction. Continuous flow polymerization was carried out by pumping the DHAP reaction mixture including the monomers, catalyst, and additive (pivalic acid) solubilized in degassed TCB through a pre-heated glass condenser packed with K2CO3 and Celite under aerobic conditions. Reproducible molecular weights of M-n: 29.5 kDa, D-M: 1.7 were obtained at much lower concentrations of reactant mixture compared to that for batch polymerization. This is the first report of the synthesis of P(NDI2OD-T2) by a Continuous Flow Process adopting the DHAP route to obtain a defect-free polymer with reasonable molecular weights. P(NDI2OD-T2) was also synthesized by Stille polymerization as a reference control sample to compare the thermal and charge carrier transport properties of the DHAP polymers. Organic field-effect (OFET) mobility measurements indicated mobility values in the order of 10(-3) cm(2) V-1 s(-1) for the DHAP batch polymer (using the novel monomer design). The P(NDI2OD-T2) synthesized by DHAP batch using the commonly used starting materials - bisbromo naphthalene diimide and bithiophene, exhibited OFET mobilities which were one order less, similar to 10(-4) cm(2) V-1 s(-1). This observation highlights the importance of structural design in the monomer to enhance reactivity and thereby the bulk properties using the DHAP route.

}, issn = {2050-7526}, doi = {10.1039/d2tc02514k}, author = {Kakde, Navnath R. and Bharathkumar, H. J. and Wavhal, Bhaiyyasaheb A. and Nikam, Arun and Patil, Suneha and Dash, Soumya Ranjan and Vanka, Kumar and Krishnamoorthy, K. and Kulkarni, Amol and Asha, S. K.} } @article {48096, title = {Direct oxidation of bromo-derived Fischer-Borsche oxo-ring using molecular iodine with combined experimental and computational study}, journal = {Organic \& Biomolecular Chemistry}, volume = {20}, year = {2022}, month = {JUL}, pages = {5726-5729}, type = {Article}, abstract = {

A direct oxidation of the bromo-derived Fischer-Borsche oxo-ring leading to carbazolequinone has been developed by using molecular iodine. This unprecedented transformation has been used for the modular synthesis of the anti-cardiotonic agent murrayaquinone. Furthermore, the present method has been generalized to a broad range of functional groups, with good to excellent yield.

}, issn = {1477-0520}, doi = {10.1039/d2ob00793b}, author = {Humne, Vivek T. and Ghom, Monica H. and Naykode, Mahavir S. and Dangat, Yuvraj and Vanka, Kumar and Lokhande, Pradeep} } @article {48041, title = {Does viscosity drive the dynamics in an alcohol-based deep eutectic solvent?}, journal = {Journal of Physical Chemistry B}, volume = {126}, year = {2022}, month = {OCT }, pages = {8331-8337}, type = {Article}, abstract = {

Deep eutectic solvents, consisting of heterogeneous nano-domains of hydrogen-bonded networks, have evolved into a range of viscous fluids that find applications in several fields. As viscosity is known to influence the dynamics of other neoteric solvents like ionic liquids, understanding the effect of viscosity on deep eutectic solvents is crucial to realize their full potential. Herein, we combine polarization-selective pump-probe spectroscopy, two-dimensional infrared spectroscopy, and molecular dynamics simulations to elucidate the impact of viscosity on the dynamics of an alcohol-based deep eutectic solvent, ethaline. We compare the solvent fluctuation and solute reorientation time scales in ethaline with those in ethylene glycol, an ethaline constituent. Interestingly, we find that the solute{\textquoteright}s reorientation apparently scales the bulk viscosity of the solvent, but the same is not valid for the overall solvation dynamics. Using the variations in the estimated intercomponent hydrogen bond lifetimes, we show that a dissolved solute does not sense the bulk viscosity of the deep eutectic solvent; instead, it senses domain-specific local viscosity determined by the making and breaking of the hydrogen bond network. Our results indicate that understanding the domain-specific local environment experienced by the dissolved solute is of utmost importance in deep eutectic solvents.

}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.2c06521}, author = {Chatterjee, Srijan and Deshmukh, Samadhan H. and Bagchi, Sayan} } @article {48417, title = {Dual nanomechanics in anisotropic porous covalent organic framework janus-type thin films}, journal = {Journal of the American Chemical Society}, volume = {144}, year = {2022}, month = {JAN}, pages = {400-409}, type = {Article}, abstract = {

Empowered by crystalline ordered structures and homogeneous fabrication techniques, covalent organic frameworks (COFs) have been realized with uniform morphologies and isotropic properties. However, such homogeneity often hinders various surface-dependent properties observed in asymmetric nanostructures. The challenge remains to induce heterogeneity in COFs by creating an asymmetric superstructure such as a Janus thin film. In this regard, we propose a versatile yet straightforward interfacial layer-grafting strategy to fabricate free-standing Janus-type COF-graphene thin films. Herein, two-dimensional graphene sheets were utilized as the suitable grafter due to the possibility of noncovalent interactions between the layers. The versatility of the approach was demonstrated by fabricating two distinct Janus-type films, with the COF surface interwoven with nanofibers and nanospheres. The Janus-type films showcase opposing surface morphologies originating from graphene sheets and COF nanofibers or nanospheres, preserving the porosity (552-600 m(2) g(-1)). The unique surface chemistries of the constituent layers further endow the films with orthogonal mechanical properties, as confirmed by the nanoindentation technique. Interestingly, the graphene sheets favor the Janus-type assembly of COF nanofibers over the nanospheres. This is reflected in the better nanomechanical properties of COFfiber-graphene films (E-gra(phene) = 300-1200 MPa; E-COF( )= 15-60 MPa) compared to the COFsphere-graphene films (E-gra(phe)ne = 11-14 MPa; E-CO(F )= 2-5 MPa). These results indicate a direct relationship between the mechanical properties and homo/heterogeneity of Janus-type COF films.

}, issn = {0002-7863}, doi = {10.1021/jacs.1c10263}, author = {Mohata, Shibani and Dey, Kaushik and Bhunia, Surojit and Thomas, Neethu and Gowd, E. Bhoje and Ajithkumar, Thalasseril G. and Reddy, C. Malla and Banerjee, Rahul} } @article {48012, title = {Effect of B site substitution in Gd2B2-xNiyO7-delta (B= Ti, Zr) ternary metal oxide catalysts in dry reforming of methane}, journal = {Molecular Catalysis}, volume = {522}, year = {2022}, month = {APR}, pages = {112242}, type = {Article}, abstract = {

Structured catalysts are emerging as active and durable catalysts in dry reforming of methane due to their inherent characteristics like lattice insertion of active metals and consequent stability imparted. Here we report Ti and Zr substituted Gd2B2-xNiyO7-delta (B = Ti, Zr) catalysts synthesized by citrate gel method, which are characterized and tested for dry reforming of methane. Structure and Ni substitution has been confirmed by Rietveld refinement of powder XRD patterns and Raman analysis. TPR and CO2-TPD were performed to analyze the reducibility and effect of basic sites of catalysts in DRM activity. Ni doped Ti analogue shows stable and superior activity towards dry reforming of methane for 100 h. The in situ IR studies and XPS analysis confirmed the presence of surface hydroxyl species in this catalyst, which triggers the activation of CO2 and provides higher and durable activity in dry reforming reaction. Absence of any C formation in this catalyst after durability test indicates the mechanism of C gasification by the surface hydroxyl species enhancing stable activity for long durations.

}, keywords = {A(2)B(2)O(7), Citrate gel method, Dry reforming of methane, Ternary metal oxide}, issn = {2468-8231}, doi = {10.1016/j.mcat.2022.112242}, author = {Ghodke, Seema R. and Thundiyil, Shibin and Dongapure, Pavan and Devi, R. Nandini} } @article {48231, title = {Effect of oxalic acid and sulphuric acid hydrolysis on the preparation and properties of pineapple pomace derived cellulose nanofibers and nanopapers}, journal = {International Journal of Biological Macromolecules}, volume = {209}, year = {2022}, month = {JUN }, pages = {1745-1759}, type = {Article}, abstract = {

Nanocellulose is the {\textquoteleft}{\textquoteleft}green magnet{\textquoteright}{\textquoteright} which attracts a wide spectrum of industries towards it due to its availability, biodegradability, and possible smart applications. For the first time, pineapple pomace was being explored as an economic precursor for cellulose nanofibers. Nanofiber isolation was accomplished using a chemo-mechanical method and solution casting was adopted for the development of nanopapers. Moreover, the study examines the structural, optical, crystalline, dimensional, and thermal features of nanofibers isolated using different acid hydrolysis (oxalic acid and sulphuric acid) methods. Fourier-transform infra-red spectroscopy, 13C solid-state nuclear magnetic resonance spectroscopy, and X-ray diffraction analysis indicated the presence of type I cellulose. The transmittance, crystallinity index, and thermal stability of PPNFS (sulphuric acid treated fiber) were greater than PPNFO (oxalic acid treated fiber). The transmission electron microscopy and dynamic light scattering analysis confirmed the nanodimension of PPNFO and PPNFS. While comparing the optical and mechanical properties of nanopapers, PPNFS outperforms PPNFO. The tensile strength of the prepared nanopapers (64 MPa (PPNFO) and 68 MPa (PPNFS)) was found to be high compared to similar works reported in the literature. The prepared nanopaper is proposed to be used for food packaging applications.

}, keywords = {cellulose nanofibers, Cellulosic nanopapers, Pineapple pomace}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2022.04.138}, author = {Neenu, K. V. and Dominic, C. D. Midhun and Begum, P. M. Sabura and Parameswaranpillai, Jyotishkumar and Kanoth, Bipinbal Parambath and David, Deepthi Anna and Sajadi, S. Mohammad and Dhanyasree, P. and Ajithkumar, T. G. and Badawi, Michael} } @article {48101, title = {Efficient synthesis of 5-(hydroxymethyl)furfural esters from polymeric carbohydrates using 5-(chloromethyl)furfural as a reactive intermediate}, journal = {ACS Sustainable Chemistry \& Engineering}, volume = {10}, year = {2022}, month = {MAY}, pages = {5803-5809}, type = {Article}, abstract = {

This work reports an efficient, gram-scale synthesis of 5-(hydroxymethyl)furfural (HMF) esters using biomass-derived 5-(chloromethyl)furfural (CMF) as a reactive intermediate. The HMF-esters have potential applications as chemicalintermediates, fuel additives, and bioactive compounds. Initially, CMF was prepared in good yields directly from polymericcarbohydrates (starch, inulin, and cellulose) and cellulosic materials (cotton andfilter paper) using a biphasic batch reaction system,consisting of aqueous hydrochloric acid and 1,2-dichloroethane. The use of ZnCl2as an additive allowed the reaction to proceedunder milder conditions while significantly improving the isolated yield of CMF. The effects of reaction temperature, reaction time,extracting solvent, and ZnCl2loading on CMF yield were investigated. Microcrystalline cellulose was converted into CMF with a72\% isolated yield under optimized reaction conditions (80 degrees C, 2 h). After that, CMF was transformed into various novel esters ofHMF in excellent isolated yields (\>85\%) by reacting with a slight excess amount of the triethylammonium salt of various alkyl/arylcarboxylic acids under solvent-free conditions

}, keywords = {catalysis, cellulose, furanics, HMF-esters, renewable synthesis}, issn = {2168-0485}, doi = {10.1021/acssuschemeng.1c08571}, author = {Bhat, Navya Subray and Hegde, Shobhita L. and Dutta, Saikat and Sudarsanam, Putla} } @article {48018, title = {Electrocatalytic alcohol oxidation by a molecular iron complex}, journal = {Faraday Discussions}, volume = {234}, year = {2022}, month = {MAY}, pages = {42-57}, type = {Article}, abstract = {

An efficient electrochemical method for the selective oxidation of alcohols to their corresponding aldehydes/ketones using a biomimetic iron complex, [(bTAML)Fe-III-OH2](-), as the redox mediator in an undivided electrochemical cell with inexpensive carbon and nickel electrodes using water as an oxygen source is reported. The substrate scope also includes alcohols that contain O and N heteroatoms in the scaffold, which are well tolerated under these reaction conditions. Mechanistic studies show the involvement of a high-valent Fe-V(O) species, [(bTAML)Fe-V(O)](-), formed via PCET (overall 2H(+)/2e(-)) from [(bTAML)Fe-III-OH2](-) at 0.77 V (vs. Fc(+)/Fc). Moreover, electrokinetic studies of the oxidation of C-H bonds indicate a second-order reaction, with the C-H abstraction by Fe-V(O) being the rate-determining step. The overall mechanism, studied using linear free energy relationships and radical clocks, indicates a {\textquoteleft}{\textquoteleft}net hydride{\textquoteright}{\textquoteright} transfer, leading to the oxidation of the alcohol to the corresponding aldehyde or ketone. When the reaction was carried out at pH \> 11, the reaction could be carried out at a similar to 500 mV lower potential than that at pH 8, albeit with reduced reaction rates. The reactive intermediate involved at pH \> 11 is the corresponding one-electron oxidized [(bTAML)Fe-IV(O)](2-) species.

}, issn = {1359-6640}, doi = {10.1039/d1fd00074h}, author = {Kuiry, Himangshu and Das, Debasree and Das, Soumadip and Chakraborty, Soham and Chandra, Bittu and Sen Gupta, Sayam} } @article {48186, title = {Electrodeposited layered sodium vanadyl phosphate (NaxVOPO4 center dot nH(2)O) as cathode material for aqueous rechargeable zinc metal batteries}, journal = {Energy \& Fuels}, volume = {36}, year = {2022}, month = {JUN }, pages = {6520-6531}, type = {Article}, abstract = {

Aqueous rechargeable zinc metal batteries (ARZMBs) present a safer and cost-effective solution for energy storage in stationary applications. However, a major challenge is the lack of suitable cathode materials simultaneously exhibiting high operating voltage and long cycling stability. Herein, we report the polyanionic sodium-intercalated layered vanadyl phosphate [NaxVOPO4 center dot nH(2)O (NVP)] as a suitable high-voltage and stable cathode for ARZMBs. This work employs a simpler electrochemical route (electrodeposition) for the synthesis of NVP over functionalized carbon fiber substrates and its application as a binder-free cathode in ARZMBs. The electrodeposited NVP possesses a morphology of vertically aligned well-separated nanosheet bundles resembling a flower. When used as the ARZMB cathode, the NVP electrode delivers a specific discharge capacity of 100 mA h g(-1) at 0.033 A g(-1) and high cycling stability (98\% retention of the initial capacity over 1100 cycles at 0.333 A g(-1)) in a mild aqueous electrolyte with moderate zinc salt concentration. The observed electrochemical performance of NVP is credited to the synergistic effect of unique nanoflower morphology, the pillaring effect offered by the intercalated Na, and the intimate contact of the active material with the carbon fiber network. These factors are favorable for enhancing the transport of the electrolyte ions and electrons and maintaining the structural stability of the electrode during long-term cycling. The NVP electrode could also deliver appreciable performance (a discharge capacity of 73 mA h g(-) 1 and a current density of 0.033 A g(-1)) in quasi-solidstate ARZMB cells employing PVA/Zn(CF3SO3)(2) gel electrolyte.

}, issn = {0887-0624}, doi = {10.1021/acs.energyfuels.2c00831}, author = {Dilwale, Swati and Ghosh, Meena and Vijayakumar, Vidyanand and Kurungot, Sreekumar} } @article {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 {48114, title = {Enceleamycins A-C, furo-naphthoquinones from amycolatopsis sp. MCC0218: isolation, structure elucidation, and antimicrobial activity}, journal = {Journal of Natural Products}, volume = {85}, year = {2022}, month = {MAY}, pages = {1267-1273}, type = {Article}, abstract = {

Three novel furo-naphthoquinones, enceleamycins A-C (1-3), and a new N-hydroxypyrazinone acid (4) were identified from the strain Amycolatopsis sp. MCC 0218, isolated from a soil sample collected from the Western Ghats of India. Their chemical structure and absolute and relative configurations were established by 1D and 2D NMR spectroscopy, single-crystal X-ray crystallography, and high-resolution mass spectrometry. Compounds 1 and 3 were active against methicillin-susceptible and -resistant Staphylococcus aureus with MIC values of 2-16 mu g/mL.

}, issn = {0163-3864}, doi = {10.1021/acs.jnatprod.1c01160}, author = {Khan, Abujunaid and Said, Madhukar S. and Borade, Balasaheb R. and Gonnade, Rajesh and Barvkar, Vitthal and Kontham, Ravindar and Dastager, Syed G.} } @article {48225, title = {Enhanced hydrogen fuel production using synergistic combination of solar radiation and TiO2 photocatalyst coupled with Burkholderia cepacia lipase}, journal = {International Journal of Hydrogen Energy}, volume = {47}, year = {2022}, month = {APR }, pages = {14483-14492}, type = {Article}, abstract = {

Promising and sustainable alternatives for hydrogen production have been investigated. Among these, the use of enzymes may represent an efficient alternative. In this work, an increase in hydrogen production under simulated sunlight by combining TiO2 and TiO2/MgCl2 with Burkholderia cepacia lipase (BCL) was reported. The samples (TiO2, TiO2/MgCl2, and TiO2 /MgCl2/BCL) were characterized by X-ray diffraction (XRD), thermo-gravimetric (TGA), N-2 adsorption-desorption isotherms (BET), scanning electron microscopy (SEM), and UV-Visible absorption spectra. Hydrogen production tests were performed in aqueous methanol solutions under simulated sunlight. The results demonstrated that 130-times greater increase in hydrogen production rate was observed by the addition of BCL than individual TiO2. This better hydrogen production rate can be attributed to the increase in the amount of reduction equivalent of the system due to the oxidation of protein peptides caused by TiO2. In conclusion, the results indicate that hydrogen production efficiency can be significantly improved when integrating TiO2/MgCl2 with BCL. (C) 2022 Hydrogen Energy Publications LLC. Published by Elsevier Ltd. All rights reserved.

}, keywords = {hydrogen production, Lipase, Nano-conjugated enzymes, Photocatalyst, Solar radiation, Titanium dioxide}, issn = {0360-3199}, doi = {10.1016/j.ijhydene.2022.02.220}, author = {de Souza Brandao, Luma Mirely and Barbosa, Milson dos Santos and de Jesus, Roberta Anjos and Bharad, Pradnya Arunrao and Lima, Alvaro Silva and Faria Soares, Cleide Mara and Navarro Yerga, Rufino Manuel and Bilal, Muhammad and Romanholo Ferreira, Luiz Fernando and Iqbal, Hafiz M. N. and Gopinath, Chinnakonda S. and Figueiredo, Renan Tavares} } @article {48177, title = {Exploring the core microbiota in scented rice (Oryza sativa L.) rhizosphere through metagenomics approach}, journal = {Microbiological Research}, volume = {263}, year = {2022}, month = {OCT}, pages = {127157}, type = {Article}, abstract = {

Rice is a major food crop cultivated around the globe. Specially scented rice varieties are of commercial importance but they are low-yielding. The rhizospheric microflora plays a significant role in improving yield and aroma. However, the core microbiome of the scented rice rhizosphere is comparatively less explored. Here, we analyzed the core microbiome associated with the rhizosphere of the scented (Ambemohar-157 and Dehradun basmati) in comparison with non-scented rice (Kolam and Arize 6444 Gold) cultivated at two different geoclimatic zones of India (Maharashtra and Uttarakhand) using the metagenomics approach. The alpha and beta diversity analysis showed that the microbial communities associated with scented and non-scented varieties significantly changes with respect to richness, diversity, and evenness. The taxonomic profiling revealed the variation in composition, diversity, and abundance of the microbiome in terms of phyla and genera associated with scented rice varieties over non-scented. The cluster analysis distinguishes the microbial communities based on their geographical positions. The core microbiome analysis revealed that scented rice rhizosphere shelters distinct and unique microbiota. 28.6 \% of genera were exclusively present only in the scented rice rhizosphere. The putative functional gene annotation revealed the high abundance of genes related to the biosynthesis of 2-acetyl-1-pyrroline (2AP) precursors in scented rice. The precursor feeding analysis revealed proline as a preferred substrate by 2AP synthesizing bacteria. The 2AP precursor proline and proline metabolism genes showed a positive correlation. The scented rice-specific rhizobacteria pointed out in this study can be used as bioinoculants for enhancing aroma, yield, and sustainable rice cultivation.

}, keywords = {Metagenome, Microbial community, Microbiome, Oryza sativa, Rhizosphere, rice}, issn = {0944-5013}, doi = {10.1016/j.micres.2022.127157}, author = {Dhondge, V. Harshal and Barvkar, Vitthal T. and Paul, Dhiraj and Dastager, Syed G. and Pable, Anupama A. and Nadaf, Altafhusain B.} } @article {47897, title = {Exploring the structure and electronic properties of germanium doped boron clusters using density functional theory based global optimization method}, journal = {New Journal of Chemistry}, volume = {46}, year = {2022}, month = {MAR }, pages = {6244-6254}, type = {Article}, abstract = {

Density functional theory calculations in the framework of B3LYP, TPSS and M06-L were carried out to investigate the effect of single and double germanium atom doping on the geometric structure and electronic properties of boron clusters with 10 to 20 atoms. Global minima of GeBn and Ge2Bn (n = 10-20) were first obtained through Crystal Structure Analysis by the Particle Swarm Optimization method and then subsequently optimized using meta-generalized gradient approximation, hybrid and local functionals. It is found that the lowest energy structures of GeBn and Ge2Bn clusters exhibit planar, quasi-planar, semi-cage, bowl, and double ring topologies. Like BnSi clusters, the results reveal that the germanium atom prefers the peripheral regions of the B-n framework contrary to transition metal doped boron clusters. Furthermore, the calculated electronic properties such as the average binding energy and second order difference in binding energy indicate GeB20 and Ge2B16 to be the most stable clusters. Molecular orbital and adaptive natural density partitioning analyses were carried out to understand the extra stability of GeB20 and Ge2B16 clusters.

}, issn = {1144-0546}, doi = {10.1039/d2nj00227b}, author = {Anis, Insha and Dar, Mohd Saleem and Rather, Ghulam Mohammad and Dar, Manzoor Ahmad} } @article {48077, title = {Facile, sustainable and unassisted plain water oxidation on Au/Ce0.9Ti0.1O2 nanorods in direct sunlight}, journal = {Journal of Chemical Sciences}, volume = {134}, year = {2022}, month = {JUN}, pages = {61}, type = {Article}, abstract = {

Impressive rate of solar water oxidation to molecular oxygen (O-2) has been demonstrated on nanorods (NRs) of Ce0.9Ti0.1O2 (CT-NR) and Au-deposited CT-NR (Au-CT-NR) photocatalysts with a sacrificial agent (Fe3+) and in plain water in one sun condition, direct sunlight and with lambda \>= 455 nm. Probably the highest 0 2 yield of 11 mmol/h.g was observed with Au-CT-NR thin film in plain water in direct sunlight, with no sacrificial agent or applied potential. Photoelectrochemical measurements demonstrate a marked reduction in oxidation onset potential of Au-CT-NR by 150 mV with stable photocurrent (0.75 mA/cm(2)), compared to CT-NR (0.23 mA/cm(2)), indicating the operative of plasmon-induced resonant energy transfer (PIRET) process. Effective electron quenching by nanogold and hence low recombination in the depletion region is a critical step for the observation of a high rate of oxygen evolution. In addition to this, a predominant change in the nature of the valence band from O-2p dominated on CeO2 to Ce-4f dominated with CT-NR (due to Ti4+ introduction in CeO2), the efficient light absorption of photocatalysts in thin-film form, functional and effective PIRET process, and facile E-F alignment, enhances the oxygen evolution with Au-CT-NR in direct sunlight and make it highly sustainable. A possible mechanism of water oxidation is proposed from the observed experimental findings.

}, keywords = {ceria, Electronic integration, Photocatalysis, thin film, water splitting}, issn = {0974-3626}, doi = {10.1007/s12039-022-02055-z}, author = {Dubey, Anjani and Mishra, Abhaya Kumar and Negi, Sanjay Singh and Gopinath, Chinnakonda S.} } @article {47062, title = {First synthesis of podocarflavone A and its analogs and evaluation of their antimycobacterial potential against mycobacterium tuberculosis with the support of virtual screening}, journal = {Natural Product Research}, volume = {36}, year = {2022}, month = {AUG}, pages = {3879-3886}, type = {Article}, abstract = {

The first synthetic route developed for Podocarflavone A reported from Podocarpus macrophyllus and its analogs in 7 steps. Computational analysis for binding with the pantothenate kinase (3AVO) of Mycobacterium tuberculosis showed their docking score (ds) in the range of -8.9 to -9.3 Kcal/mol. MD simulations delineated the stability of the protein-ligand complexes in the TIP3P model. MMGBSA and MMPBSA values of 8d were -42.46 Kcal/mol and -14.58 Kcal/mol, respectively. Further in-vitro antitubercular screening of compounds 8a, 8d, and 8e against M. tuberculosis H37Ra using XRMA protocol exhibited promising antimycobacterial activity with IC50 values 21.82 mu g/mL, 15.55 mu g/mL, and 16.56 mu g/mL, respectively. Compounds 8a, 8d, and 8e showed antibacterial activity with IC50 values 41.56 mu g/mL, 24.72 mu g/mL, and 72.45 mu g/mL respectively against the Staphylococcus aureus. 8a and 8d showed inhibition with IC50 values 39.6 mu g/mL and 27.64 mu g/mL, respectively, against Bacillus subtilis. The present study could help in the further development of lead molecules against tuberculosis.

}, keywords = {and MMGBSA, antimycobacterial activity, docking, MD simulations, MMPBSA, Podocarflavone A synthesis}, issn = {1478-6419}, doi = {10.1080/14786419.2021.1893317}, author = {Puranik, Ninad V. and Swami, Sagar and Misar, Ashwini V. and Mamgain, Ritu and Gulawani, Swapnaja S. and Dhiman, Sarkar and Srivastava, Pratibha} } @article {48391, title = {First-principles investigation of the electrocatalytic reduction of CO2 on zirconium-based single-, double-, and triple-atom catalysts anchored on a graphitic carbon nitride monolayer}, journal = {ACS Applied Nano Materials}, volume = {5}, year = {2022}, month = {OCT}, pages = {15409-15417}, type = {Article}, abstract = {

Conversion of carbon dioxide (CO2) with the help of an appropriate electrocatalyst with high stability, low onset potential, and exceptional selectivity is still one of the great tasks in the electrocatalytic reduction of CO2 to valuable chemicals. Herein, by means of systematic first-principles simulations, we investigate the CO2 reduction reaction (CO2RR) activity of zirconium-based single-, double-, and triple-atom (Zrn@C2N; n = 1-3) catalysts anchored on a graphitic carbon-nitride monolayer. In tune with the Sabatier principle, our results reveal that a moderate CO2 binding is vital for a low onset potential for the CO2RR. Consequently, based on rigorous free energy calculations, the Zr-based single-atom catalyst (SAC) is found to be most effective to convert CO2 to valuable products such as HCOOH and CH3OH. It is worth noting that CO2 reduction to HCOOH is spontaneous via the *HCOO intermediate on Zr1@C2N and involves a low onset potential of -0.23 V with respect to the reversible hydrogen electrode from the *COOH intermediate. Among all the catalysts evaluated computationally, the Zr SAC further reveals the lowest onset potential of -0.89 V for CH3OH formation. The results show that the Zr-based catalysts especially Zr1@C2N are found to effectively suppress the competitive hydrogen evolution reaction and promote the CO2RR. Moreover, all three catalysts exhibit high kinetic and thermal stability with negligible distortion due to which their structures can be retained very well up to 600 K. Thus, the current work may provide effective catalyst-design strategies for enhancing the electrocatalytic CO2RR performance of Zr-based materials.

}, keywords = {C1 and C2 products, CO2 reduction, first-principles simulations, hydrogen evolution reaction, onset potential, single-atom catalysts (SACs), Zrn@C2N catalysts}, doi = {10.1021/acsanm.2c03464}, author = {Hassan, Afshana and Anis, Insha and Shafi, Sadaf and Assad, Assif and Rasool, Anjumun and Khanam, Romana and Bhat, Gulzar Ahmad and Krishnamurty, Sailaja and Dar, Manzoor Ahmad} } @article {48382, title = {Flexible ultracapacitor device fabricated with an organic electrode material- naphthalene diimide nitrile/reduced graphene oxide}, journal = {Journal of Energy Storage}, volume = {56}, year = {2022}, month = {DEC}, pages = {106036}, type = {Article}, abstract = {

In this work, we have demonstrated a high-performance flexible supercapacitor electrode based on reduced graphene oxide (rGO) and naphthalene diimide nitrile (NDI-CN) composite. The rGO/NDI-CN composite was prepared by a simple approach. This composite was well characterized using various techniques such as scanning electron microscopy (SEM), transmission electron microscopy (TEM) and X-ray photoelectron spectroscopy (XPS) etc. Besides, the pi -pi stacking of NDI-CN on rGO surface was confirmed using UV-vis and FTIR techniques. As fabricated rGO/NDI-CN composite was examined as an electrode material for the supercapacitor applications. The rGO/NDI-CN electrode has delivered an excellent specific capacitance (C-sp) of 336 F g(-1) at 0.5 A g(-1)current density. The fabricated supercapacitor (SC) displays robustness with 80 \% capacitance retention over 10,000 cycles at higher current density of 10 A g(-1). To further explore the real-world application of electrode materials, the corresponding flexible supercapacitor was designed and examined. The flexible device exhibited an energy density of 9.54 mu Wh cm(-2) at a power density of 0.3 mWcm(-2). These results confirmed that the rGO/NDI-CN electrode material has good potential as an energy storage device. Furthermore, the facile construction and fabrication of flexible device displayed operation of LED when fully charged. The assembled flexible supercapacitor device could be bent and twisted, signifying the potential to be used in practical applications in various high-performance electrochemical devices.

}, keywords = {flexible supercapacitor, Naphthalene diimide, Organic molecule electrodes, pi -pi interaction, rGO}, issn = {2352-152X}, doi = {10.1016/j.est.2022.106036}, author = {Deshmukh, Ashvini B. and Biradar, Madan R. and Pawar, Meenakshi D. and Bhosale, Sidhanath V. and Shelke, Manjusha V.} } @article {48377, title = {Flow of lubricated granular material on an inclined plane}, journal = {Powder Technology}, volume = {409}, year = {2022}, month = {SEP}, pages = {117809}, type = {Article}, abstract = {

We have studied the gravity driven flow of spherical shaped, millimetric sized granular material coated with aspherical, micron-sized, near frictionless lubricant particles. Experiments were performed on an inclined plane using two different sized particles for varying concentrations of the lubricant. The particle volumetric flow rate exhibits a non-monotonic behavior with increasing lubricant concentration. It shows an increase at lower lubricant concentration followed by a decrease at higher lubricant concentration. The lubricant particles adhere to the granular particle surface thereby reducing the inter-particle friction. However, presence of lubricant particles at higher concentration damps out inter-particle collision thereby reducing the inter-particle momentum transfer. Non-monotonicity in the observed behavior is then conjectured to arise due to competing effects of inter-particle friction and inter-particle collision. The present work and the overall observed behavior therein provides a simple experimental system to characterize the effects of added lubricant material in pharmaceutical and other relevant industrial applications.

}, keywords = {Friction, granular, Inclined plane, Lubrication, Powder}, issn = {0032-5910}, doi = {10.1016/j.powtec.2022.117809}, author = {Ghodake, Ravindra S. and Doshi, Pankaj and Orpe, V. Ashish} } @article {48185, title = {Fluorobenzoic acid coformers to improve the solubility and permeability of the BCS class IV drug naftopidil}, journal = {Chemical Communications}, volume = {58}, year = {2022}, month = {MAY }, pages = {5582-5585}, type = {Article}, abstract = {

Crystalline salts of the low solubility and low permeability drug naftopidil were investigated with mono-, di-, tri-, and tetrafluorobenzoic acids as coformers to show that 245TFBA (2,4,5-trifluorobenzoic acid) is the optimal salt with faster dissolution and high permeability, thereby opening the study of fluorinated coformers in pharmaceutical cocrystals and salts.

}, issn = {1359-7345}, doi = {10.1039/d1cc07187d}, author = {Mannava, M. K. Chaitanya and Bommaka, Manish K. and Dandela, Rambabu and Solomon, K. Anand and Nangia, Ashwini K.} } @article {48107, title = {Free base phthalocyanine coating as a superior corrosion inhibitor for copper surfaces: a combined experimental and theoretical study}, journal = {Colloids and Surfaces A-Physicochemical and Engineering Aspects}, volume = {648}, year = {2022}, month = {SEP }, pages = {129138}, type = {Article}, abstract = {

In the quest of novel, eco-benign copper corrosion inhibitors, free base and a set of six metal Phthalocyanine (Pc) coatings (where metal is Zn, Cu, Fe, Co, Ni, Mn) are systematically evaluated for their corrosion inhibition efficiency. The study demonstrates that the free base Phthalocyanine coatings are superior corrosion inhibitors for Cu surface in HCl with a corrosion inhibition efficiency of 88\% as compared to its metal counterparts. A detailed and indepth study involving concerted electrochemical polarisation, impedance measurements at various concentrations of HCl assert the superior corrosion inhibition efficiency of free base Pc coatings as compared to its metal counterparts. Underlying factors/interface chemistry contributing to it is brought out using first principle based studies. First principles based computational studies establish that superior corrosion inhibition ability of free base phthalocyanine molecule is attributed to its innate binding ability with copper surface and its better inter-molecular packing. Thus, the theoretical adsorption trends of various studied phthalocyanine molecules while clearly following the experimental corrosion inhibition efficiency trends undermine the importance of contribution of chelating factors for the formation of a stable and efficient corrosion inhibition coating on a surface and that the adhesion/adsorption strength of a molecule correlates directly to its corrosion inhibition efficiency. The experimental observations are further substantiated through FE-SEM, EDAX and XPS studies. The corrosion inhibition efficiency of free base phthalocyanine is followed by its zinc based counterpart at 85\%.

}, keywords = {Copper surface, Corrosion inhibitors, DFT studies, Impedance, Phthalocyanine coatings}, issn = {0927-7757}, doi = {10.1016/j.colsurfa.2022.129138}, author = {Samal, Pragnya Paramita and Dekshinamoorthy, Amuthan and Arunachalam, Shivakami and Vijayaraghavan, Saranyan and Krishnamurty, Sailaja} } @article {48401, title = {Glance at the chemodiversity of Ocimum species: Trends, implications, and strategies for the quality and yield improvement of essential oil}, journal = {Phytochemistry Reviews}, volume = {21}, year = {2022}, month = {JUN}, pages = {879-913}, type = {Review}, abstract = {

Ocimum species represent commercially important medicinal and aromatic plants. The essential oil biosynthesized by Ocimum species is enriched with specialized metabolites specifically, terpenoids and phenylpropanoids. Interestingly, various Ocimum species are known to exhibit diverse chemical profiles, and this chemical diversity has been at the center of many studies to identify commercially important chemotypes. Here, we present various chemotypes from the Ocimum species and emphasize trends, implications, and strategies for the quality and yield improvement of essential oil. Globally, many Ocimum species have been analyzed for their essential oil composition in over 50 countries. Asia represents the highest number of chemotypes, followed by Africa, South America, and Europe. Ocimum basilicum L. has been the most widespread and well-studied species, followed by O. gratissimum L., O. tenuiflorum L., O. canum Sims, O. americanum and O. kilimandscharicum Gurke. Moreover, various molecular reasons, benefits, adverse health effects and mechanisms behind this vast chemodiversity have been discussed. Different strategies of plant breeding, metabolic engineering, transgenic, and tissue-culture, along with anatomical modifications, are surveyed to enhance specific chemotypic profiles and essential oil yield in numerous Ocimum species. Consequently, chemical characterization of the essential oil obtained from Ocimum species has become indispensable for its proper utilization. The present chemodiversity knowledge from Ocimum species will help to exploit various applications in the industrial, agriculture, biopharmaceutical, and food sectors.

}, keywords = {Chemodiversity, Chemotype, Essential oil, Metabolic engineering, Ocimum, Specialized metabolites}, issn = {1568-7767}, doi = {10.1007/s11101-021-09767-z}, author = {Gurav, Tanuja P. and Dholakia, Bhushan B. and Giri, Ashok P.} } @article {47803, title = {G-protein coupled purinergic P2Y12 receptor interacts and internalizes TauRD-mediated by membrane-associated actin cytoskeleton remodeling in microglia}, journal = {European Journal of Cell Biology}, volume = {101}, year = {2022}, month = {APR}, pages = {151201}, type = {Article}, abstract = {In Alzheimer{\textquoteright}s disease, the microtubule-associated protein, Tau misfolds to form aggregates and filaments in the intra- and extracellular region of neuronal cells. Microglial cells are the resident brain macrophage cells involved in constant surveillance and activated by the extracellular deposits. Purinergic receptors are involved in the chemotactic migration of microglial cells towards the site of inflammation. From our recent study, we have observed that the microglial P2Y12 receptor is involved in phagocytosis of full-length Tau species such as monomers, oligomers and aggregates by actin-driven chemotaxis. This study shows the interaction of repeat-domain of Tau (TauRD) with the microglial P2Y12 receptor and the corresponding residues for interaction have been analysed by various in-silico approaches. In the cellular studies, TauRD was found to interact with microglial P2Y12R and induces its cellular expression confirmed by co-immunoprecipitation and western blot analysis. Furthermore, the P2Y12R-mediated TauRD internalization has demonstrated activation of microglia with an increase in the Iba1 level, and TauRD becomes accumulated at the peri-nuclear region for the degradation. Similarly, immunofluorescence microscopic studies emphasized that TauRD is phagocytosed by microglial P2Y12R via the membrane-associated actin remodeling as filopodia extension. Upon internalization, we have demonstrated the P2Y12R signaling-mediated degradation of accumulated TauRD by lysosomal pathway. Altogether, microglial P2Y12R interacts with TauRD and mediates directed migration and activation for its internalization and degradation.}, keywords = {Alzheimer{\textquoteright}s disease, Internalization, microglia, P2Y12R, Phagocytosis, Tau}, issn = {0171-9335}, doi = {https://doi.org/10.1016/j.ejcb.2022.151201}, url = {https://www.sciencedirect.com/science/article/pii/S0171933522000048}, author = {Chidambaram, Hariharakrishnan and Das, Rashmi and Chinnathambi, Subashchandrabose} } @article {48361, title = {G-protein coupled purinergic P2Y12 receptor interacts and internalizes Tau(RD)-mediated by membrane-associated actin cytoskeleton remodeling in microglia}, journal = {European Journal of Cell Biology}, volume = {101}, year = {2022}, month = {APR}, pages = {151201}, type = {Article}, abstract = {

In Alzheimer{\textquoteright}s disease, the microtubule-associated protein, Tau misfolds to form aggregates and filaments in the intra- and extracellular region of neuronal cells. Microglial cells are the resident brain macrophage cells involved in constant surveillance and activated by the extracellular deposits. Purinergic receptors are involved in the chemotactic migration of microglial cells towards the site of inflammation. From our recent study, we have observed that the microglial P2Y12 receptor is involved in phagocytosis of full-length Tau species such as monomers, oligomers and aggregates by actin-driven chemotaxis. This study shows the interaction of repeat-domain of Tau (Tau(RD)) with the microglial P2Y12 receptor and the corresponding residues for interaction have been analysed by various in-silico approaches. In the cellular studies, Tau(RD) was found to interact with microglial P2Y12R and induces its cellular expression confirmed by co-immunoprecipitation and western blot analysis. Furthermore, the P2Y12R-mediated Tau(RD) internalization has demonstrated activation of microglia with an increase in the Iba1 level, and Tau(RD) becomes accumulated at the peri-nuclear region for the degradation. Similarly, immunofluorescence microscopic studies emphasized that Tau(RD) is phagocytosed by microglial P2Y12R via the membrane-associated actin remodeling as filopodia extension. Upon internalization, we have demonstrated the P2Y12R signaling-mediated degradation of accumulated Tau(RD) by lysosomal pathway. Altogether, microglial P2Y12R interacts with Tau(RD) and mediates directed migration and activation for its internalization and degradation.

}, keywords = {Alzheimer{\textquoteright}s disease, Internalization, microglia, P2Y12R, Phagocytosis, Tau(RD)}, issn = {0171-9335}, doi = {10.1016/j.ejcb.2022.151201}, author = {Chidambaram, Hariharakrishnan and Das, Rashmi and Chinnathambi, Subashchandrabose} } @article {48363, title = {Graphical Biology Insights into the dynamic interactions at chemokine-receptor interfaces and mechanistic models of chemokine binding}, journal = {Journal of Structural Biology}, volume = {214}, year = {2022}, month = {SEP}, pages = {107877}, type = {Article}, abstract = {

Chemokine receptors are the central signaling hubs of several processes such as cell migration, chemotaxis and cell positioning. In this graphical review, we provide an overview of the structural and mechanistic principles governing chemokine recognition that are currently emerging. Structural models of chemokine-receptor cocomplexes with endogenous chemokines, viral chemokines and therapeutics have been resolved that highlight multiple interaction sites, termed as CRS1, CRS1.5 etc. The first site of interaction has been shown to be the Nterminal domain of the receptors (CRS1 site). A large structural flexibility of the N-terminal domain has been reported that was supported by both experimental and simulation studies. Upon chemokine binding, the Nterminal domain appears to show constricted dynamics and opens up to interact with the chemokine via a large interface. The subsequent sites such as CRS1.5 and CRS2 sites have been structurally well resolved although differences arise such as the localization of the N-terminus of the ligand to a major or minor pocket of the orthosteric binding site. Several computational studies have highlighted the dynamic protein-protein interface at the CRS1 site that seemingly appears to resolve the differences in NMR and mutagenesis studies. Interestingly, the differential dynamics at the CRS1 site suggests a mixed model of binding with complex signatures of both conformational selection and induced fit models. Integrative experimental and computational approaches could help unravel the structural basis of promiscuity and specificity in chemokine-receptor binding and open up new avenues of therapeutic design.

}, keywords = {Chemokine receptors, GPCRs, Intrinsically disordered protein domains, protein-protein interactions}, issn = {1047-8477}, doi = {10.1016/j.jsb.2022.107877}, author = {Sonawani, Archana and Kharche, Shalmali and Dasgupta, Debjani and Sengupta, Durba} } @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 {48099, title = {Green transformation of CO2 to ethanol using water and sunlight by the combined effect of naturally abundant red phosphorus and Bi2MoO6}, journal = {Energy \& Environmental Science}, volume = {15}, year = {2022}, month = {MAY }, pages = {1967-1976}, type = {Article}, abstract = {

Direct photocatalytic conversion of CO2 to ethanol remains a scientific challenge because of the sluggish kinetics of C-C coupling and complex multielectron transfer processes. To achieve a green transformation of CO2 to C1+ products using naturally abundant sunlight and water requires the smart design of an efficient catalyst by selecting the right combination of atoms either in elemental or in compound form. Herein, we report a composite photocatalyst composed of earth abundant red phosphorus (RP) in nano-sheet morphology decorated with Bi2MoO6 nano-particles. The composite synthesised by a facile ultrasonication method produces 51.8 mu mol g(-1) h(-1) of ethanol from CO2. The ability of RP for the conversion of CO2 to C1 has been altered by the introduction of Bi2MoO6. In situ Diffuse Reflectance Infrared Fourier Transform Spectroscopy (DRIFTS) and Kinetic Isotopic Effect (KIE) analysis shed light on the mechanistic pathway, which propose that the presence of Bi-Mo dual sites play a crucial role in the C-C coupling toward the formation of ethanol. Spectroscopic evidence and isotope labeling experiments suggest that the intermediate OCH3* is the key active species for ethanol formation via self-coupling followed by proton transfer.

}, issn = {1754-5692}, doi = {10.1039/d1ee02976b}, author = {Das, Risov and Das, Kousik and Ray, Bitan and Vinod, Chathakudath P. and Peter, Sebastian C.} } @article {48227, title = {Gut microbiota dysbiosis in patients with intracranial sino-venous thrombosis and acute ischemic stroke in the young}, journal = {Annals of Indian Academy of Neurology}, volume = {25}, year = {2022}, month = {SEP-OCT}, pages = {980+}, type = {Letter}, issn = {0972-2327}, doi = {10.4103/aian.aian_393_22}, author = {Prabhu, Varsha A. and Rajput, Vinay and Yadav, Rakeshkumar and Gohil, Kushal and Dharne, Mahesh S. and Unnikrishnan, Mazhuvancherry Kesavan and Gorthi, Sankar Prasad} } @article {47763, title = {High throughput sequencing based direct detection of SARS-CoV-2 fragments in wastewater of Pune, West India}, journal = {Science of the Total Environment}, volume = {807}, year = {2022}, month = {FEB }, pages = {151038}, type = {Article}, abstract = {Given a large number of SARS-CoV-2 infected individuals, clinical detection has proved challenging. The wastewater-based epidemiological paradigm would cover the clinically escaped asymptomatic individuals owing to the faecal shedding of the virus. We hypothesised using wastewater as a valuable resource for analysing SARS-CoV-2 mutations circulating in the wastewater of Pune region (Maharashtra; India), one of the most affected during the covid-19 pandemic. We conducted study in open wastewater drains from December 2020- March 2021 to assess the presence of SARS-CoV-2 nucleic acid and further detect mutations using ARTIC protocol of MinION sequencing. The analysis revealed 108 mutations across six samples categorised into 39 types of mutations. We report the occurrence of mutations associated with Delta variant lineage in March-2021 samples, simultaneously also reported as a Variant of Concern (VoC) responsible for the rapid increase in infections. The study also revealed four mutations; S:N801, S:C480R, NSP14:C279F and NSP3:L550del not currently reported from wastewater or clinical data in India but reported worldwide. Further, a novel mutation NSP13:G206F mapping to NSP13 region was observed from wastewater. Notably, S:P1140del mutation was detected in December 2020 samples while it was reported in February 2021 from clinical data, indicating the instrumentality of wastewater data in early detection. This is the first study in India to demonstrate utility of sequencing in wastewater based epidemiology to identify mutations associated with SARS-CoV-2 virus fragments from wastewater as an early warning indicator system. (c) 2021 Elsevier B.V. All rights reserved.}, keywords = {ARTIC protocol, Epidemiology, Metagenomics, Nanopore sequencing, SARS-CoV-2, wastewater}, issn = {0048-9697}, doi = {10.1016/j.scitotenv.2021.151038}, author = {Dharmadhikari, Tanmay and Rajput, Vinay and Yadav, Rakeshkumar and Boargaonkar, Radhika and Patil, Dhawal and Kale, Saurabh and Kamble, Sanjay P. and Dastager, Syed G. and Dharne, Mahesh S.} } @article {48130, title = {Hybrid material for ferric ion detection \& remediation: exceptional selectivity \& adsorption capacity with biological applications}, journal = {Microporous and Mesoporous Materials}, volume = {338}, year = {2022}, month = {JUN}, pages = {111945}, type = {Article}, abstract = {

In this work, naphthalimide derived functionalized silica material SiO2@NAPIA (2,2{\textquoteright}((((propylazanediyl)bis (methylene))bis(2,1-phenylene))bis(oxy))bis(N-(1,3-dioxo-1H-benzo[de]i soquinoline-2(3H)-yl)acetamide)) was constructed as a dual signaling and remediation material for ferric ions from a pool of 35 common ions (cations and anions) in the aqueous system. The material Cubic SiO2 shows a high surface area (1104 m2/g, pore volume (1.510 cm3/g), and pore diameter (6.3 nm) in the mesoporous range, which reduces further on functionalization to get the final material SiO2@NAPIA. The ferric ion selectivity through fluorescence quenching displays a SternVolmer quenching constant (Ksv) of 7.8 x 108 M-1 with a LOD (Limit of detection) value of 0.11 mu M for ferricion, which is 48 times lower than the USEPA (United States Environmental Protection Agency) maximum contaminant level (5.35 mu M) in drinking water. This material also shows a very high adsorption capacity (664 mg/g) for ferric ions fitting the Langmuir model isotherm with R2 = 0.99, which can be easily stripped out, and the material can be recycled. This material was also used as a sensory probe material for biosensing of ferric ions through fluorescence imaging in living organisms like Artemia salina and quantification in the real environmental sample. Furthermore, the antibacterial activity inspired by the ferric ion chelating affinity shows good potency against several Gram-negative and Gram-positive bacterial strains. The Minimum Inhibitory Concentration (MIC) \& Minimal Bactericidal Concentration (MBC) of the material against these pathogens were found to be 100 \& 200 mu g/mL respectively. This material signifies superior activity with respect to the ferric-ion selective materials known in the literature.

}, keywords = {Adsorption, Antibacterial, Biosensing, Functional material, Mesoporous silica, sensing}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2022.111945}, author = {Yadav, Sanjay and Rajpurohit, Dushyantsingh and Dash, Soumya Ranjan and Bhojani, Gopal and Chatterjee, Shruti and Paital, Alok Ranjan} } @article {48397, title = {Identification and characterization of the key enzyme in the biosynthesis of the neurotoxin beta-ODAP in grass pea}, journal = {Journal of Biological Chemistry}, volume = {298}, year = {2022}, month = {MAY}, pages = {101806}, type = {Article}, abstract = {

Grass pea (Lathyrus sativus L.) is a grain legume commonly grown in Asia and Africa for food and forage. It is a highly nutritious and robust crop, capable of surviving both droughts and floods. However, it produces a neurotoxic compound, beta-N- oxalyl-L-alpha,beta-diaminopropionic acid (beta-ODAP), which can cause a severe neurological disorder when consumed as a primary diet component. While the catalytic activity associated with beta-ODAP formation was demonstrated more than 50 years ago, the enzyme responsible for this activity has not been identified. Here, we report on the identity, activity, 3D structure, and phylogenesis of this enzyme-beta-ODAP synthase (BOS). We show that BOS belongs to the benzylalcohol O-acetyltransfer-ase, anthocyanin O-hydroxycinnamoyltransferase, anthranilate N-hydroxycinnamoyl/benzoyltransferase, deacetylvindoline 4-O-acetyltransferase superfamily of acyltransferases and is structurally similar to hydroxycinnamoyl transferase. Using molecular docking, we propose a mechanism for its catalytic activity, and using heterologous expression in tobacco leaves (Nicotiana benthamiana), we demonstrate that expression of BOS in the presence of its substrates is sufficient for beta-ODAP production in vivo. The identification of BOS may pave the way toward engineering beta-ODAP-free grass pea cultivars, which are safe for human and animal consumption.

}, doi = {10.1016/j.jbc.2022.101806}, author = {Goldsmith, Moshe and Barad, Shiri and Knafo, Maor and Savidor, Alon and Ben-Dor, Shifra and Brandis, Alexander and Mehlman, Tevie and Peleg, Yoav and Albeck, Shira and Dym, Orly and Ben-Zeev, Efrat and Barbole, Ranjit S. and Aharoni, Asaph and Reich, Ziv} } @article {48187, title = {Insights into active tungsten species on Pt/W/SBA-15 catalysts for selective hydrodeoxygenation of glycerol to 1,3-propanediol}, journal = {Molecular Catalysis}, volume = {531}, year = {2022}, month = {OCT}, pages = {112704}, type = {Article}, abstract = {

Diols are important class of industrial chemicals. Their synthesis from bio-resources (instead from fossil feed-stocks) is sustainable. In this study, we probed active tungsten species on Pt/W/SBA-15 catalysts for selective synthesis of 1,3-propanediol (1,3-PDO) from aqueous glycerol through a liquid-phase hydrodeoxygenation re-action. A synergistic enhancement in glycerol conversion and 1,3-PDO selectivity was observed when both Pt and W were present on the catalyst. A volcano-shape variation followed with a gradual increase in glycerol conversion and 1,3-PDO yield with W-loading (0.25-15 wt\%) was observed. Pt dispersion and acidity of the catalyst dis-played similar variations with the W-loading confirming their critical role in the reaction. Structure-function relationships inferred that oligomeric WOx with moderate Bro center dot nsted acidity (predominant at 1 wt\% W-loading) in contact with dispersed Pt are the active species for 1,3-PDO formation and crystalline WO3 with strong Bro center dot nsted acidity (prevalent above 4 wt\% W-loading) in association with Pt nanoparticles lead to 1-propanol formation.

}, keywords = {3-Propanediol, Active sites, Glycerol, Hydrodeoxygenation, Hydrogenolysis, Supported Pt-WO x}, issn = {2468-8231}, doi = {10.1016/j.mcat.2022.112704}, author = {Bhowmik, Susmita and Enjamuri, Nagasuresh and Sethia, Govind and Akula, Venugopal and Marimuthu, Banu and Darbha, Srinivas} } @article {48161, title = {Insights on biorational potential of Ocimum gratissimum essential oil and its binary combination with monoterpene phenol for control of rice weevil (Sitophilus oryzae) and aflatoxigenic fungi.}, journal = {Food Bioscience}, volume = {50}, year = {2022}, month = {DEC}, pages = {102019}, type = {Article}, abstract = {

Food grain storage is a difficult task due to insect infestation and subsequent mycotoxin contaminations which adversely affects the nutritional quality of grains and leading to economic loss. Current research focuses on contact and fumigant toxicity effects of essential oils (EO) and aroma compounds against Sitophilus oryzae and growth inhibition of aflatoxigenic fungi. The EO of Ocimum gratissimum comprised of thymol (46.8\%), gamma-terpi-nene (14.04\%) along with o-cymene (11.76\%). Also, Cymbopogon flexuosus rich in citral (76.3\%) and geraniol (84.6\%) and Cymbopogon nardus having geraniol (49.24\%) and geranyl acetate (20.9\%) were all evaluated using a dose of 25 mu L (Conc-833.3 mu L/L air) against S. oryzae. All the compounds showed significant mortality (\>95\%) at 24 h of exposure. The insecticidal property of O. gratissimum oil chemotype showed a strong contact and fumigant toxicity against S. oryzae at a highest dose of 25 mu L (Conc-833.3 mu L/L air) within 24 h. It has been further evaluated on three aflatoxigenic fungal strains which showed reduction in growth and aflatoxin content (Aflatoxin B and G), which was markedly reduced upon the treatment. The binary mixture interaction of O. gratissimum oil with monoterpene phenol (carvacrol) was assessed and the specific binary mixture of 80:20 ratio (having additive property) acts as a contact insecticide with 100\% mortality. Hence, essential oil of less explored Ocimum species (O. gratissimum) and its binary mixture could be deployed as potential biorational for control of rice weevil (Sitophilus oryzae) and aflatoxigenic Aspergillus spp.

}, keywords = {Aflatoxigenic fungi, Binary combination, Essential oil, Ocimum gratissimum, Sitophilus oryzae}, issn = {2212-4292}, doi = {10.1016/j.fbio.2022.102019}, author = {Remesh, V. Archana and Raveendran, Ashika and Bincy, K. and Wagh, Vasudev S. and Dastager, Syed G. and Babu, C. S. Vivek} } @article {48054, title = {Integrated chemo and bio-catalyzed synthesis of 2,5-furandicarboxylic acid from fructose derived 5-hydroxymethylfurfural}, journal = {Biomass \& Bioenergy}, volume = {161}, year = {2022}, month = {JUN}, pages = {106474}, type = {Article}, abstract = {

Biomass being a renewable source of energy, has emerged as an attractive target for manufacturing valuable products. These possibilities can be explored to meet the current need for degradable plastic, 2,5-furandicarboxylic acid (FDCA). Integration of chemical and biological approaches for direct biomass conversion into FDCA was evaluated in this study. 5-hydroxymethylfurfural (5-HMF) was chemo-catalytically obtained from fructose using recyclable amberlyte IR-120 as a catalyst with \>98\% purity. Klebsiella oxytoca NCIM 2694 bacterial strain showed the potential of converting 98\% of 5-HMF into FDCA with 58\% selectivity at 96 h. With optimized conditions of pH 7, 37 degrees C, 2 g whole cells, we reported 99\% 5-HMF conversion to FDCA with 95\% selectivity at 72 h and 2667 mg L-1 yield, with 39 mg L-1 h-1 productivity. This is the highest yield obtained with the substrate concentration as high as 3000 mg L-1 reported till date. While the bacterial tolerance to 5-HMF observed was for the highest 5-HMF concentration of 4000 mg L-1, with 99\% conversion however, compromising the FDCA yield to 2447 mg L-1 and 32 mg L-1 h-1 productivity. Atom economy of 85\% and E factor of 17.71 g g-1 was obtained as a measure of its efficiency and sustainability of the process. The developed process will decrease the cost by excluding any extra nutrient supplement, complete substrate utilization, highest FDCA selectivity/productivity and higher tolerance by K. oxytoca, sequentially catalyzing the oxidations by a single route for FDCA synthesis from renewables.

}, keywords = {biocatalysis, Biodegradable polyester, Biomass, Platform chemical, Sustainability metrics}, issn = {0961-9534}, doi = {10.1016/j.biombioe.2022.106474}, author = {Parate, Roopa D. and Dharne, Mahesh S. and Rode, V. Chandrashekhar} } @article {48128, title = {Interplay of anion-pi(+) and pi(+)-pi(+) interactions in novel pyrido[2,1-a]isoquinolinium-based aiegens - substituent- and counterion-dependent fluorescence modulation and applications in live cell mitochondrial imaging}, journal = {Chemistry-A European Journal}, volume = {28}, year = {2022}, month = {JUL }, pages = {e202200632}, type = {Article}, abstract = {

Recently, the concept of anion-pi(+) interactions has witnessed unique applications in the field of AIEgen development. In this contribution, we disclose a consolidated study of a library of N-doped ionic AIEgens accessed through silver-mediated cyclization of pyridino-alkynes. A thorough photophysical, computational and crystallographic study has been conducted to rationalize the observed substituent- and counterion-dependent fluorescence properties of these luminogens. We further elucidate the prominent role of anion-pi(+) interactions, pi(+)-pi(+) interactions and other non-covalent interactions, in inhibiting the undesired ACQ effect. Finally, we have also demonstrated the application of selected AIEgens for imaging of mitochondria in live cells.

}, keywords = {1-a]isoquinolinium, AIEgens, anion-pi(+), crystal structure, mitochondrial imaging, pyrido[2}, issn = {0947-6539}, doi = {10.1002/chem.202200632}, author = {Mule, Ravindra D. and Roy, Rupam and Mandal, Koushik and Chopra, Deepak and Dutta, Tanoy and Sancheti, Shashank P. and Shinde, Popat S. and Banerjee, Somsuvra and Lal Koner, Apurba and Bhowal, Rohit and Senthilkumar, Beeran and Patil, Nitin T.} } @article {47809, title = {Isolation and characterization of chitosans from different fungi with special emphasis on zygomycetous dimorphic fungus benjaminiella poitrasii: evaluation of its chitosan nanoparticles for the inhibition of human pathogenic fungi}, journal = {Biomacromolecules}, year = {2022}, month = {JAN}, pages = {null}, type = {Article}, abstract = {The cell wall chitosan was extracted from fungi belonging to different taxonomic classes, namely, Benjaminiella poitrasii (Zygomycetes, dimorphic), Hanseniaspora guilliermondii, Issatchenkia orientalis, Pichia membranifaciens, and Saccharomyces cerevisiae (Ascomycetes, yeasts), and Agaricus bisporus and Pleurotus sajor-caju (Basidiomycetes). The maximum yield of chitosan was 60.89 {\textpm} 2.30 mg/g of dry mycelial biomass of B. poitrasii. The degree of deacetylation (DDA) of chitosan extracted from different fungi, as observed with 1H NMR, was in the range of 70{\textendash}93\%. B. poitrasii chitosan exhibited the highest DDA (92.78\%). The characteristic absorption bands were observed at 3450, 1650, 1420, 1320, and 1035 cm{\textendash}1 by FTIR. Compared to chitosan from marine sources (molecular weight, MW, 585 kDa), fungal chitosans showed lower MW (6.21{\textendash}46.33 kDa). Further, to improve the efficacy of B. poitrasii chitosan (Bp), nanoparticles (Np) were synthesized using the ionic gelation method and characterized by dynamic light scattering (DLS). For yeast and hyphal chitosan nanoparticles (BpYCNp and BpHCNp), the average particle size was <200 nm with polydispersity index of 0.341 {\textpm} 0.03 and 0.388 {\textpm} 0.002, respectively, and the zeta potential values were 21.64 {\textpm} 0.34 and 24.48 {\textpm} 1.58 mV, respectively. The B. poitrasii chitosans and their nanoparticles were further evaluated for antifungal activity against human pathogenic Candida albicans ATCC 10231, Candida glabrata NCYC 388, Candida tropicalis ATCC 750, Cryptococcus neoformans ATCC 34664, and Aspergillus niger ATCC 10578. BpHCNps showed lower MIC90 values (0.025{\textendash}0.4 mg/mL) than the chitosan polymer against the tested human pathogens. The study suggested that nanoformulation of fungal chitosan, which has low molecular weight and high \% DDA, is desirable for antifungal applications against human pathogens. Moreover, chitosans as well as their nanoparticles were found to be hemocompatible and are therefore safe for healthcare applications.}, doi = {10.1021/acs.biomac.1c01248}, url = {https://doi.org/10.1021/acs.biomac.1c01248}, author = {Mane, Shamala and Pathan, Ejaj and Tupe, Santosh and Deshmukh, Sneha and Kale, Deepika and Ghormade, Vandana and Chaudhari, Bhushan and Deshpande, Mukund} } @article {48159, title = {Isolation and structural characterization of exopolysaccharide from marine Bacillus sp. and its optimization by Microbioreactor}, journal = {Carbohydrate Polymers}, volume = {285}, year = {2022}, month = {JUN }, pages = {119241}, type = {Article}, abstract = {

In the present study, a cost-effective, robust Microbioreactor based production optimization of levan like exopolysaccharide from marine Bacillus sp. SGD-03 was analysed. FE-SEM analysis has showed the significant fibrillar structure of EPS. Size exclusion chromatography and other analytical data revealed that, produced EPS has a molecular weight of 1.0 x 10(4) Da and is composed of fructose monosaccharide with hydroxyl, carbonyl, and ether groups. The backbone structure of EPS has a branching pattern of beta-(2,6) linkages which confirms the similarity with available levan like polymers. The cost-effective media composition for levan production was demonstrated. The maximum yield of crude levan obtained was 123.9 g/L by response surface methodology using robust BioLector Pro Microbioreactor, and same has been validated with shake flask, 1 L and 10 L pilot-scale fermentation.

}, keywords = {EPS, marine, Microbioreactor, Optimization, structure}, issn = {0144-8617}, doi = {10.1016/j.carbpol.2022.119241}, author = {Wagh, Vasudev S. and Said, Madhukar S. and Bennale, Jagadish S. and Dastager, Syed G.} } @article {48235, title = {Kupyaphores are zinc homeostatic metallophores required for colonization of Mycobacterium tuberculosis}, journal = {Proceedings of the National Academy of Sciences of the United States of America}, volume = {119}, year = {2022}, month = {FEB}, pages = {e2110293119}, type = {Article}, abstract = {

Mycobacterium tuberculosis (Mtb) endures a combination of metal scarcity and toxicity throughout the human infection cycle, contributing to complex clinical manifestations. Pathogens counteract this paradoxical dysmetallostasis by producing specialized metal trafficking systems. Capture of extracellular metal by siderophores is a widely accepted mode of iron acquisition, and Mtb iron-chelating siderophores, mycobactin, have been known since 1965. Currently, it is not known whether Mtb produces zinc scavenging molecules. Here, we characterize low-molecular-weight zinc-binding compounds secreted and imported by Mtb for zinc acquisition. These molecules, termed kupyaphores, are produced by a 10.8 kbp biosynthetic cluster and consists of a dipeptide core of ornithine and phenylalaninol, where amino groups are acylated with isonitrilecontaining fatty acyl chains. Kupyaphores are stringently regulated and support Mtb survival under both nutritional deprivation and intoxication conditions. A kupyaphore-deficient Mtb strain is unable to mobilize sufficient zinc and shows reduced fitness upon infection. We observed early induction of kupyaphores in Mtb-infected mice lungs after infection, and these metabolites disappeared after 2 wk. Furthermore, we identify an Mtb-encoded isonitrile hydratase, which can possibly mediate intracellular zinc release through covalent modification of the isonitrile group of kupyaphores. Mtb clinical strains also produce kupyaphores during early passages. Our study thus uncovers a previously unknown zinc acquisition strategy of Mtb that could modulate host-pathogen interactions and disease outcome.

}, keywords = {metallophore, nutritional immunity, tuberculosis, zinc}, issn = {0027-8424}, doi = {10.1073/pnas.2110293119}, author = {Mehdiratta, Kritee and Singh, Shubham and Sharma, Sachin and Bhosale, Rashmi S. and Choudhury, Rahul and Masal, Dattatraya P. and Manocha, Alzu and Dhamale, Bhushan Dilip and Khan, Naseem and Asokachandran, Vivekanand and Sharma, Pooja and Ikeh, Melanie and Brown, Amanda C. and Parish, Tanya and Ojha, Anil K. and Michael, Joy Sarojini and Faruq, Mohammed and Medigeshi, Guruprasad R. and Mohanty, Debasisa and Reddy, D. Srinivasa and Natarajan, Vivek T. and Kamat, Siddhesh S. and Gokhale, Rajesh S.} } @article {48071, title = {Ligand dynamics time scales identify the surface-ligandinteractions in thiocyanate-capped cadmium sulfide nanocrystals}, journal = {Journal of Physical Chemistry Letters}, volume = {13}, year = {2022}, month = {APR }, pages = {3059-3065}, type = {Article}, abstract = {

The nanocrystal surface, which acts as an interface between thesemiconductor lattice and the capping ligands, plays a significant role in theattractive photophysical properties of semiconductor nanocrystals for use in awide range of applications. Replacing the long-chain organic ligands with shortinorganic variants improves the conductivity and carrier mobility of nanocrystal-based devices. However, our current understanding of the interactions betweenthe inorganic ligands and the nanocrystals is obscure due to the lack ofexperiments to directly probe the inorganic ligands. Herein, using two-dimensional infrared spectroscopy, we show that the variations in the inorganicligand dynamics within the heterogeneous nanocrystal ensemble can identifythe diversities in the inorganic ligand-nanocrystal interactions. The liganddynamics time scale in SCN-capped CdS nanocrystals identifies three distinctligand populations and provides molecular insight into the nanocrystal surface.Our results demonstrate that the SCN-ligands engage in a dynamic equilibriumand stabilize the nanocrystals by neutralizing the surface charges through both direct binding and electrostatic interaction.

}, issn = {1948-7185}, doi = {10.1021/acs.jpclett.2c00493}, author = {Deshmukh, Samadhan H. and Chatterjee, Srijan and Ghosh, Deborin and Bagchi, Sayan} } @article {48154, title = {Luminescent magnesium complexes with intra- and inter-ligand charge transfer}, journal = {Chemical Communications}, volume = {58}, year = {2022}, month = {OCT}, pages = {11843-11846}, type = {Article}, abstract = {

Herein, we report two 2,2{\textquoteright}-pyridylpyrrolide (PyPyrH) ligand supported magnesium complexes (1 and 2), which demonstrate bright luminescence with a quantum yield of 22\% and 14\% in the solid state, respectively. Theoretical calculations reveal that their emissive properties originate from the intra- and inter-ligand charge transfer.

}, issn = {1359-7345}, doi = {10.1039/d2cc04142a}, author = {Kumar, Rohit and Pahar, Sanjukta and Chatterjee, Joy and Dash, Soumya Ranjan and Gonnade, Rajesh G. and Vanka, Kumar and Sen, Sakya S.} } @article {48236, title = {Machine learning-based approach to determine infection status in recipients of BBV152 (Covaxin) whole-virion inactivated SARS-CoV-2 vaccine for serological surveys}, journal = {Computers in Biology and Medicine}, volume = {146}, year = {2022}, month = {JUL}, pages = {105419}, type = {Article}, abstract = {

Data science has been an invaluable part of the COVID-19 pandemic response with multiple applications, ranging from tracking viral evolution to understanding the vaccine effectiveness. Asymptomatic breakthrough infections have been a major problem in assessing vaccine effectiveness in populations globally. Serological discrimination of vaccine response from infection has so far been limited to Spike protein vaccines since whole virion vaccines generate antibodies against all the viral proteins. Here, we show how a statistical and machine learning (ML) based approach can be used to discriminate between SARS-CoV-2 infection and immune response to an inactivated whole virion vaccine (BBV152, Covaxin). For this, we assessed serial data on antibodies against Spike and Nucleocapsid antigens, along with age, sex, number of doses taken, and days since last dose, for 1823 Covaxin recipients. An ensemble ML model, incorporating a consensus clustering approach alongside the support vector machine model, was built on 1063 samples where reliable qualifying data existed, and then applied to the entire dataset. Of 1448 self-reported negative subjects, our ensemble ML model classified 724 to be infected. For method validation, we determined the relative ability of a random subset of samples to neutralize Delta versus wild-type strain using a surrogate neutralization assay. We worked on the premise that antibodies generated by a whole virion vaccine would neutralize wild type more efficiently than delta strain. In 100 of 156 samples, where ML prediction differed from self-reported uninfected status, neutralization against Delta strain was more effective, indicating infection. We found 71.8\% subjects predicted to be infected during the surge, which is concordant with the percentage of sequences classified as Delta (75.6\%-80.2\%) over the same period. Our approach will help in real-world vaccine effectiveness assessments where whole virion vaccines are commonly used.

}, keywords = {BBV152, Covaxin, COVID-19, Ensemble methods, Infection, machine learning, SARS-CoV-2}, issn = {0010-4825}, doi = {10.1016/j.compbiomed.2022.105419}, author = {Singh, Prateek and Ujjainiya, Rajat and Prakash, Satyartha and Naushin, Salwa and Sardana, Viren and Bhatheja, Nitin and Singh, Ajay Pratap and Barman, Joydeb and Kumar, Kartik and Gayali, Saurabh and Khan, Raju and Rawat, Birendra Singh and Tallapaka, Karthik Bharadwaj and Anumalla, Mahesh and Lahiri, Amit and Kar, Susanta and Bhosale, Vivek and Srivastava, Mrigank and Mugale, Madhav Nilakanth and Pandey, C. P. and Khan, Shaziya and Katiyar, Shivani and Raj, Desh and Ishteyaque, Sharmeen and Khanka, Sonu and Rani, Ankita and Promila and Sharma, Jyotsna and Seth, Anuradha and Dutta, Mukul and Saurabh, Nishant and Veerapandian, Murugan and Venkatachalam, Ganesh and Bansal, Deepak and Gupta, Dinesh and Halami, Prakash M. and Peddha, Muthukumar Serva and Veeranna, Ravindra P. and Pal, Anirban and Singh, Ranvijay Kumar and Anandasadagopan, Suresh Kumar and Karuppanan, Parimala and Rahman, Syed Nasar and Selvakumar, Gopika and Venkatesan, Subramanian and Karmakar, Malay Kumar and Sardana, Harish Kumar and Kothari, Anamika and Parihar, Devendra Singh and Thakur, Anupma and Saifi, Anas and Gupta, Naman and Singh, Yogita and Reddu, Ritu and Gautam, Rizul and Mishra, Anuj and Mishra, Avinash and Gogeri, Iranna and Rayasam, Geethavani and Padwad, Yogendra and Patial, Vikram and Hallan, Vipin and Singh, Damanpreet and Tirpude, Narendra and Chakrabarti, Partha and Maity, Sujay Krishna and Ganguly, Dipyaman and Sistla, Ramakrishna and Balthu, Narender Kumar and Kumar, Kiran A. and Ranjith, Siva and Kumar, B. Vijay and Jamwal, Piyush Singh and Wali, Anshu and Ahmed, Sajad and Chouhan, Rekha and Gandhi, Sumit G. and Sharma, Nancy and Rai, Garima and Irshad, Faisal and Jamwal, Vijay Lakshmi and Paddar, Masroor Ahmad and Khan, Sameer Ullah and Malik, Fayaz and Ghosh, Debashish and Thakkar, Ghanshyam and Barik, S. K. and Tripathi, Prabhanshu and Satija, Yatendra Kumar and Mohanty, Sneha and Khan, Md Tauseef and Subudhi, Umakanta and Sen, Pradip and Kumar, Rashmi and Bhardwaj, Anshu and Gupta, Pawan and Sharma, Deepak and Tuli, Amit and Chaudhuri, Saumya Ray and Krishnamurthi, Srinivasan and Prakash, L. and Rao, V. Ch and Singh, B. N. and Chaurasiya, Arvindkumar and Chaurasiya, Meera and Bhadange, Mayuri and Likhitkar, Bhagyashree and Mohite, Sharada and Patil, Yogita and Kulkarni, Mahesh and Joshi, Rakesh and Pandya, Vaibhav and Mahajan, Sachin and Patil, Amita and Samson, Rachel and Vare, Tejas and Dharne, Mahesh and Giri, Ashok and Mahajan, Sachin and Paranjape, Shilpa and Sastry, G. Narahari and Kalita, Jatin and Phukan, Tridip and Manna, Prasenjit and Romi, Wahengbam and Bharali, Pankaj and Ozah, Dibyajyoti and Sahu, RaviKumar and Dutta, Prachurjya and Singh, Moirangthem Goutam and Gogoi, Gayatri and Tapadar, Yasmin Begam and Babu, Elapavalooru V. S. S. K. and Sukumaran, Rajeev K. and Nair, Aishwarya R. and Puthiyamadam, Anoop and Valappil, Prajeesh Kooloth and Prasannakumari, Adrash Velayudhan Pillai and Chodankar, Kalpana and Damare, Samir and Agrawal, Ved Varun and Chaudhary, Kumardeep and Agrawal, Anurag and Sengupta, Shantanu and Dash, Debasis} } @article {48048, title = {Mechanistic insight the visible light driven hydrogen generation by plasmonic Au-Cu alloy mounted on TiO2 @B-doped g-C3N4 heterojunction photocatalyst}, journal = {Journal of Alloys and Compounds}, volume = {909}, year = {2022}, month = {JUL}, pages = {164754}, type = {Article}, abstract = {

Designing of two dimensional surfaces and interfaces with light-active materials has been established as a versatile approach to increase their photocatalytic activity. In the present work, n-type anatase TiO2 coupled with p-type B-doped g-C3N4 nanosheet (BCN) were fabricated and Au-Cu nanoalloy with varying atomic ratio were deposited on the p-n heterojunction. The incorporation of Au-Cu on the interface of the dyad enhances light absorption over broad regime, charge separation, and migration. Au-Cu with 1:1 ratio (with an average particle size of 1.2 nm) loaded p-n hetrojunction (TBCAC-1:1) shows excellent photocurrent enhancement (approximately 4.4-folds) in the cathodic direction as compared to their monometallic plasmonic counterpart. Additionally, the catalyst shows photocurrent at zero biased potential as well as lower onset potential as compared to the other alloy. TBCAC-1:1 photocatalyst could able to produce 2150 mu mol h(-1)g(-1) of hydrogen, which is (approximately 3-folds) as compared to their monometallic counterparts. The hydrogen evolution process for Au-Cu (1:1) system was found to be governed by the charge distribution which dictates the binding preference of the Au and Cu sites leading to the water splitting as investigated by DFT calculation. The excellent hydrogen generation by the photocatalyst links to the synergistic effect between Au and Cu associated with the hot electron photochemistry due to surface plasmon resonance phenomenon. (C) 2022 Published by Elsevier B.V.

}, keywords = {Doped carbon nitride, hydrogen production, LSPR, P-n junction, Photocatalysis, Plasmonic alloy}, issn = {0925-8388}, doi = {10.1016/j.jallcom.2022.164754}, author = {Babu, Pradeepta and Dash, Soumya Ranjan and Parida, Kulamani} } @article {48394, title = {Mechanistic modeling of continuous capture step purification of biosimilar monoclonal antibody therapeutic}, journal = {Journal of Chemical Technology and Biotechnology}, volume = {97}, year = {2022}, month = {SEP}, pages = {2404-2419}, type = {Article}, abstract = {

{BACKGROUND Continuous multicolumn Protein A chromatography offers various advantages for capture stage purification of monoclonal antibody therapeutics, like higher productivity and resin capacity utilization, lower buffer consumption, small footprint, etc. Due to the complexity of the continuous process, experimental optimization is time-consuming and cost-intensive. This investigation proposes a hybrid process development approach integrating experimental and mechanistic modeling for time- and cost-effective development and optimization of continuous Protein A affinity chromatography. RESULTS Productivity and capacity utilization of the continuous CaptureSMB process under varying operating conditions were predicted using the Chromatography Analysis and Design Toolkit (CADET) framework and validated with experimental results. Effects of critical process parameters like feed concentration (c(0)), loading breakthrough (s) and residence time (RT) on productivity and capacity utilization were evaluated. Model predictions were validated using the experimental results proving the reliability and feasibility of the modeling approach. At 15.00 +/- 0.20 mg mL(-1) feed model mAb concentration, the model-based approach predicted the best performance giving 27.56 g L-1 h(-1) productivity (RT = 2 min

}, keywords = {CaptureSMB, continuous chromatography, Mathematical modeling, Protein A, simulation}, issn = {0268-2575}, doi = {10.1002/jctb.6922}, author = {Deulgaonkar, Prashant and Bhambure, Rahul and Prasad, Bhaskarjyoti and Mishra, Ashok and Tiwari, Sanjay and Mody, Rustom} } @article {48127, title = {Metagenomic mining of Indian river confluence reveal functional microbial community with lignocelluloytic potential}, journal = {3 Biotech}, volume = {12}, year = {2022}, month = {JUN}, pages = {132}, type = {Article}, abstract = {

Microbial carbohydrate-active enzymes (CAZyme) can be harnessed for valorization of Lignocellulosic biomass (LCB) to value-added chemicals/products. The two Indian Rivers Ganges and the Yamuna having different origins and flow, face accumulation of carbon-rich substrates due to the discharge of wastewater from adjoining paper and pulp industries, which could potentially contribute to the natural enrichment of LCB utilizing genes, especially at their confluence. We analyzed CAZyme diversity in metagenomic datasets across the sacred confluence of the Rivers Ganges and Yamuna. Functional annotation using CAZyme database identified a total of 77,815 putative genes with functional domains involved in the catalysis of carbohydrate degradation or synthesis of glycosidic bonds. The metagenomic analysis detected similar to 41\% CAZymes catalyzing the hydrolysis of lignocellulosic biomass polymers- cellulose, hemicellulose, lignin, and pectin. The Beta diversity analysis suggested higher CAZyme diversity at downstream region of the river confluence, which could be useful niche for culture-based studies. Taxonomic origin for CAZymes revealed the predominance of bacteria (97\%), followed by archaea (1.67\%), Eukaryota (0.63\%), and viruses (0.7\%). Metagenome guided CAZyme diversity of the microflora spanning across the confluence of Ganges-Yamuna River, could be harnessed for biomass and bioenergy applications.

}, keywords = {CAZymes, Confluence (Sangam), Lignocellulosic, River Ganges, River Yamuna}, issn = {2190-572X}, doi = {10.1007/s13205-022-03190-7}, author = {Rajput, Vinay and Samson, Rachel and Yadav, Rakeshkumar and Dastager, Syed and Khairnar, Krishna and Dharne, Mahesh} } @article {47984, title = {Methanol-to-light olefins reaction using Zn-Ag modified SSZ-13 catalyst}, journal = {ChemistrySelect}, volume = {7}, year = {2022}, month = {SEP}, pages = {e202201476}, type = {Article}, abstract = {

The 2 wt.\% of Zn and Ag (Zn1-x-Ag-x; x=0.2, 0.4, 0.6 \%) modified SSZ-13 (SZ-13) zeolite was prepared by wet-impregnation method, and its catalytic activity was demonstrated for methanol-to-olefin (MTO). The Zn-0.6-Ag-0.4/SZ-13 catalyst exhibited high catalytic activity due to change in properties of catalyst. The Zn particles were highly dispersed inside the SZ-13; while Ag particles were dispersed on the surface of SZ-13, confirmed by HRTEM and surface area. The small \% of Ag over SZ-13 promotes ethylene production via aromatization of reaction, and highly dispersed Zn on SZ-13 help to produce stable ethylene and propylene. The Zn-0.6-Ag-0.4/SZ-13 catalyst showed (similar to 10 \%) higher light olefin (87 \%) selectivity than parent SZ-13 as well as mono metal incorporated SZ-13. The higher catalytic activity was attributed due to effect of both metals (Zn and Ag), where Ag promotes partial aromatization on the surface, and Zn increases the Lewis acidity in the zeolite pore. This catalyst can help to improve the selectivity of light olefin using MTO reaction.

}, keywords = {Ethylene, Methanol-to-Olef, Propyl, Silver, SSZ, zinc}, issn = {2365-6549}, doi = {10.1002/slct.202201476}, author = {Dange, Rutvija M. and Gawali, Chirag B. and Niphadkar, Prashant S. and Bokade, Vijay V. and Nandanwar, Sachin U.} } @article {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 {48141, title = {Monomeric magnesium catalyzed alkene and alkyne hydroboration}, journal = {Chemistry-A European Journal}, volume = {28}, year = {2022}, month = {OCT }, type = {Article}, abstract = {

In this work, two monomeric magnesium alkyl complexes (1 and 2) were prepared using bis(phosphino)carbazole framework and among them 1 has been used as a catalyst for hydroboration of alkenes and alkynes with pinacolborane (HBpin). A broad variety of aromatic and aliphatic alkenes and alkynes were efficiently reduced. Anti-Markovnikov regioselective hydroboration of alkenes and alkynes was achieved, which was confirmed by deuterium-labelling experiments. The work represents the first example of the use of magnesium in homogeneous catalytic hydroboration of alkene with broad substrate scope. Experimental mechanistic investigations and DFT calculations provided insights into the reaction mechanism. Finally, the hydroboration protocol was extended to terpenes.

}, keywords = {carbazole, Magnesium, monomeric complexes, phosphorous, X-ray Structure}, issn = {0947-6539}, doi = {10.1002/chem.202201896}, author = {Kumar, Rohit and Dutta, Sayan and Sharma, Vishal and Singh, Praval P. and Gonnade, Rajesh G. and Koley, Debasis and Sen, Sakya S.} } @article {48157, title = {Morphology-tuned Pt3Ge accelerates water dissociation to industrial-standard hydrogen production over a wide pH range}, journal = {Advanced Materials}, volume = {34}, year = {2022}, month = {JUL}, pages = {2202294}, type = {Article}, abstract = {

The discovery of novel materials for industrial-standard hydrogen production is the present need considering the global energy infrastructure. A novel electrocatalyst, Pt3Ge, which is engineered with a desired crystallographic facet (202), accelerates hydrogen production by water electrolysis, and records industrially desired operational stability compared to the commercial catalyst platinum is introduced. Pt3Ge-(202) exhibits low overpotential of 21.7 mV (24.6 mV for Pt/C) and 92 mV for 10 and 200 mA cm(-2) current density, respectively in 0.5 m H2SO4. It also exhibits remarkable stability of 15 000 accelerated degradation tests cycles (5000 for Pt/C) and exceptional durability of 500 h (@10 mA cm(-2)) in acidic media. Pt3Ge-(202) also displays low overpotential of 96 mV for 10 mA cm(-2) current density in the alkaline medium, rationalizing its hydrogen production ability over a wide pH range required commercial operations. Long-term durability (\>75 h in alkaline media) with the industrial level current density (\>500 mA cm(-2)) has been demonstrated by utilizing the electrochemical flow reactor. The driving force behind this stupendous performance of Pt3Ge-(202) has been envisaged by mapping the reaction mechanism, active sites, and charge-transfer kinetics via controlled electrochemical experiments, ex situ X-ray photoelectron spectroscopy, in situ infrared spectroscopy, and in situ X-ray absorption spectroscopy further corroborated by first principles calculations.

}, keywords = {Electrochemistry, hydrogen production, intermetallics, water electrolysis}, issn = {0935-9648}, doi = {10.1002/adma.202202294}, author = {Mondal, Soumi and Sarkar, Shreya and Bagchi, Debabrata and Das, Tisita and Das, Risov and Singh, Ashutosh Kumar and Prasanna, Ponnappa Kechanda and Vinod, C. P. and Chakraborty, Sudip and Peter, Sebastian C.} } @article {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 {48175, title = {Novel crystal forms of Entresto: a supramolecular complex of trisodium sacubitril/valsartan hemi-pentahydrate}, journal = {Crystengcomm}, volume = {24}, year = {2022}, month = {OCT}, pages = {7387-7393}, type = {Article}, abstract = {

Entresto is a salt-cocrystal supramolecular complex with the chemical name trisodium sacubitril/valsartan hemi-pentahydrate for treating chronic heart failure and was approved by the US FDA in 2015. This multidrug complex was synthesized in our laboratory to investigate its polymorphic behavior. Different crystallization conditions, including various solvent systems, yielded different novel solid forms of Entresto (Form-I to Form-VI), including the reported form. All the novel solids are solvent-dependent and were reproducibly crystallized on a 10 g scale quantity. The 1H NMR spectra confirmed the 1 : 1 stoichiometry of the two drugs, namely, sacubitril and valsartan, in all the solid forms of the crystalline products. Powder X-ray diffraction and DSC analysis of the crystalline solids established that they are distinct crystalline forms. Stability studies under ambient conditions carried out over a one-year period showed higher stability for Form-I and Form-III compared to the other forms, including the innovator crystal form (labelled as Form-II). The novel crystal forms (notably Form-I and Form-III) exhibit higher stability and less hygroscopicity than the reported Form-II.

}, doi = {10.1039/d2ce01009g}, author = {Shaikh, Tabrez R. and George, Christy P. and Bhukya, Priyanka and Shelke, Nikita and Pawar, Komal and Garai, Abhijit and Dandela, Rambabu and Gonnade, Rajesh G. and Nangia, Ashwini K.} } @article {48167, title = {On-off infrared absorption of the S=O vibrational probe of dimethyl sulfoxide}, journal = {Journal of Physical Chemistry B}, volume = {126}, year = {2022}, month = {JUN}, pages = {4501-4508}, type = {Article}, abstract = {

Dimethyl sulfoxide (DMSO), a polar solvent molecule, is used in a wide range of therapeutic and such as dimerization and hydrogen bonding with water, are crucial to understanding the role of DMSO in applications. Herein, we study DMSO in various solvation environments to decipher the environment-dependent dimerization and hydrogen-bonding propensity. We use a combination of infrared spectroscopy, quantum mechanical calculations, and molecular dynamics simulations to reach our conclusions. Although DMSO can exist in a dynamic equilibrium between monomers and dimers, our results show that the relative intensity of the S=O stretch and the CH3 rocking modes is a spectroscopic indicator of the extent of DMSO dimerization in solution. The dimerization (self-association) is seen to be maximum in neat DMSO. When dissolved in different solvents, the dimerization propensity decreases with increasing solvent polarity. In the presence of a protic solvent, such as water, DMSO forms a hydrogen bond with the solvent molecules, thereby reducing the extent of dimerization. Further, we estimate the hydrogen-bond occupancy of DMSO. Our results show that DMSO predominantly exists as doubly hydrogen-bonded in water.

}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.1c105584501J}, author = {Chakrabarty, Suranjana and Deshmukh, Samadhan H. and Barman, Anjan and Bagchi, Sayan and Ghosh, Anup} } @article {48409, title = {Overview of erythritol production by yeast strains}, journal = {Fems Microbiology Letters}, volume = {369}, year = {2022}, month = {NOV}, pages = {fnac107}, type = {Review}, abstract = {

Erythritol is a 4-carbon polyol produced with the aid of microbes in presence of hyper-osmotic stress. It is the most effective sugar alcohol that is produced predominantly by fermentation. In comparison to various polyols, it has many precise functions and is used as a flavor enhancer, sequestrant, humectant, nutritive sweetener, stabilizer, formulation aid, thickener, and a texturizer. Erythritol production is a common trait in a number of the yeast genera viz., Trigonopsis, Candida, Pichia, Moniliella, Yarrowia, Pseudozyma, Trichosporonoides, Aureobasidium, and Trichoderma. Extensive work has been carried out on the biological production of erythritol through Yarrowia, Moniliella, Candida, and other yeast strains, and numerous strategies used to improve erythritol productivity through mutagenesis and genetic engineering are discussed in this review.

}, keywords = {Erythritol, erythrose reductase, hyperosmotic stress response, metabolic pathways, Yeast, yeast expression}, issn = {0378-1097}, doi = {10.1093/femsle/fnac107}, author = {Khatape, Anil B. and Dastager, Syed G. and Rangaswamy, Vidhya} } @article {48063, title = {Pharmaceutical standardization and physicochemical characterization of traditional ayurvedic mineral drug red ochre roasted in cow{\textquoteright}s ghee (Shuddha Gairik)}, journal = {Indian Journal of Traditional Knowledge}, volume = {21}, year = {2022}, month = {APR}, pages = {303-316}, type = {Article}, abstract = {

Rasashastra is a pharmaceutics branch of Ayurveda describing scientific methods to convert metals and minerals into bio-compatible formulations used individually or plant admixed to enhance their bioavailability and efficacy. In the present study, red ochre (Gairik) powder was processed in cow{\textquoteright}s ghee by textual method of roasting. The steps of preparation and changes in the properties therein were documented and validated in triplicate batches to develop a monograph. Ayurvedic and basic tests were performed to determine the properties of Shuddha Gairik. The physical characterization included Scanning Electron Microscopy (SEM), X-ray Diffraction (XRD), Fourier Transform Infra-red (FT-IR), Dynamic Light Scattering (DLS) and Thermo-gravimetric Analysis (TGA). Elemental composition was estimated by titration and gravimetric analysis while heavy metal limits were assessed using Inductively Coupled Plasma Optical Emission Spectrophotometry (ICPOES). This study depicted that crude red ochre, containing Kaolinite with high iron percentage, on roasting in cow{\textquoteright}s ghee led to the formation of fatty acids adsorbed red ochre particles. The developed monograph will be a guideline to the Ayurvedic industry for precise formulation of Shuddha Gairik. This will help researchers for better understanding the importance of Ayurvedic methods of pharmaceutical preparations and carry out their mechanistic studies in various diseases.

}, keywords = {Ferric oxide, Gairik, Kaolinite, Monograph, Red ochre, Roasting}, issn = {0972-5938}, author = {Chavan, S. B. and Gupta, V. S. and Deshmukh, V. V. and Sardeshmukh, S. P.} } @article {48124, title = {Polymorphs of green fluorescence protein chromophore analogue: fluorescence switching with thermal stimuli}, journal = {Crystal Growth \& Design}, volume = {22}, year = {2022}, month = {MAR }, pages = {1892-1905}, type = {Article}, abstract = {

Polymorphs of fluorescent organic materials offer significant implications in optoelectronics and advanced materials as they modulate photoluminescence properties. A slight alteration in the conformation/packing of molecules in the crystals shows variation in photoluminescence. This necessitates the polymorph screening of these materials to develop novel crystalline forms with distinct fluorescence emissions for broader application. In continuation of our work on the polymorph screening of Green Fluorescence Protein Chromophore (GFPc), we have synthesized a new imidazoline derivative, ethyl (Z)-2-(2-methyl-5-oxo-4-(3,4,5-trimethoxybenzylidene)-4,5-dihydro-1H-imi dazol-1- yl)acetate (1). Polymorph screening of 1 under different crystallization conditions revealed three polymorphs, Form I (needle), Form II (block), and Form III (polycrystalline material). Forms I and II are the outcome of solution crystallization, whereas Form III was produced from the melt crystallization of Forms I and II. DSC, HSM, and powder and single-crystal XRD studies indicate the conversion of Form I and Form III crystals to Form II crystals on thermal stimuli. The photoluminescence studies revealed cyan, yellow, and yellowish-green fluorescence emission for Forms I, II, and III crystals, respectively. The difference in photoluminescence could be due to the variance in aggregation modes like H-aggregation in Form I and J-aggregation in Form II crystals. Form I, Form II, and Form III crystals also showed irreversible thermal fluorescent switching from cyan-yellow-green due to polymorphic phase transitions. The study correlates the direct observation of the modulation of the excited-state transition under thermal stimuli in the crystalline phase. It will help augment the pace in the research of thermally responsive fluorescent materials.

}, issn = {1528-7483}, doi = {10.1021/acs.cgd.1c01459}, author = {Mali, Bhupendra P. and Dash, Soumya Ranjan and Biswas, Anupam and Vanka, Kumar and Manoj, Kochunnoonny and Gonnade, Rajesh G.} } @article {47586, title = {Polyoxometalate clusters: inorganic ligands for functional materials}, journal = {Journal of Cluster Science}, volume = {33}, year = {2022}, month = {SEP}, type = {Review}, abstract = {

Research in polyoxometalates (POMs) is a diverse growing field with variations in application. POMs are consisting of metal ion and oxide. Peripheral oxides of POM can share spare electron pairs to behave as ligands. This property of POM was utilized for constructing coordination polymers (CPs), synthesizing transitional metal substituted POM for catalysis, synthesizing and stabilizing nano-particles, etc. POM connected structures have provided an opportunity of heterogenization of some homogeneous POM catalyst. Furthermore, diamagnetic POM ligands have been suitable for stabilizing and isolating magnetic ions inside clusters. The scope of this review is to summarize the role of POMs as ligands to prepare POM based CPs, synthesize and stabilize metal nano-particles and isolate magnetic ion or unit.

}, keywords = {Coordination polymer, Inorganic ligand, materials science, polyoxometalates, synthesis design}, issn = {1040-7278}, doi = {10.1007/s10876-021-02110-8}, author = {Dey, Chandan} } @article {48179, title = {Potassium phosphate catalyzed highly efficient synthesis of structurally diverse thioethers at ambient temperature}, journal = {Indian Journal of Chemistry Section B-Organic Chemistry Including Medicinal Chemistry}, volume = {61}, year = {2022}, month = {FEB}, pages = {154-158}, type = {Article}, abstract = {

Commercially available potassium phosphate has been demonstrated to be a highly efficient catalyst for the synthesis of thioethers employing two different routes viz. alkylation of thiols with alkyl/aralkyl halides and by Michael addition of thiols to conjugated alkenes.

}, keywords = {Alkyl halides, Potassium phosphate, thia-Michael reaction, thioethers, thiols}, issn = {0019-5103}, author = {Mitragotri, Satish D. and Kulkarni, Makarand A. and Desai, V. Uday and Wadagaonkar, Prakash P.} } @article {48057, title = {Predicting the redox potentials of phenazine derivatives using DFT-assisted machine learning}, journal = {ACS Omega}, volume = {7}, year = {2022}, month = {APR }, pages = {11742-11755}, type = {Article}, abstract = {

This study investigates four machine-learning (ML) models to predict the redox potentials of phenazine derivatives in dimethoxyethane using density functional theory (DFT). A small data set of 151 phenazine derivatives having only one type of functional group per molecule (20 unique groups) was used for the training. Prediction accuracy was improved by a combined strategy of feature selection and hyperparameter optimization, using the external validation set. Models were evaluated on the external test set containing new functional groups and diverse molecular structures. High prediction accuracies of R2 \> 0.74 were obtained on the external test set. Despite being trained on the molecules with a single type of functional group, models were able to predict the redox potentials of derivatives containing multiple and different types of functional groups with good accuracies (R2 \> 0.7). This type of performance for predicting redox potential from such a small and simple data set of phenazine derivatives has never been reported before. Redox flow batteries (RFBs) are emerging as promising candidates for energy storage systems. However, new green and efficient materials are required for their widespread usage. We believe that the hybrid DFT-ML approach demonstrated in this report would help in accelerating the virtual screening of phenazine derivatives, thus saving computational and experimental costs. Using this approach, we have identified promising phenazine derivatives for green energy storage systems such as RFBs.

}, issn = {2470-1343}, doi = {10.1021/acsomega.1c06856}, author = {Ghule, Siddharth and Dash, Soumya Ranjan and Bagchi, Sayan and Joshi, Kavita and Vanka, Kumar} } @article {48110, title = {Probing the site-specific reactivity and catalytic activity of Ag-n (n=15-20) silver clusters}, journal = {ACS Omega}, volume = {7}, year = {2022}, month = {JUN }, pages = {19687-19693}, type = {Article}, abstract = {

Density functional theory calculations within the framework of generalized gradient approximation (GGA), meta-GGA, and local functionals were carried out to investigate the reactivity and catalytic activity of Ag-n (n = 15-20) clusters. Our results reveal that all the Ag-n dusters in this size range, except Ag-20, adsorb O-2 preferably in the bridged mode with enhanced binding energy as compared to the atop mode. The O-2 binding energies range from 0.77 to 0.29 in the bridged mode and from 0.36 to 0.15 eV in the atop mode of O-2 adsorption. The strong binding in the case of the bridged mode of O-2 adsorption is also reflected in the increase in O-O bond distance. Natural bond orbital charge analysis and vibrational frequency calculations reveal that enhanced charge transfer occurs to the O-2 molecule and there is significant red shift in the stretching frequency of O-O bond in the case of the bridged mode of O-2 adsorption on the clusters, thereby confirming the above results. Moreover, the simulated CO oxidation reaction pathways show that the oxidation of the CO molecule is highly facile on Ag-16 and Ag-18 clusters involving small kinetic barriers and higher heats toward CO2 formation.

}, issn = {2470-1343}, doi = {10.1021/acsomega.2c01437}, author = {Anis, Insha and Dar, Mohd Saleem and Bhat, Gulzar Ahmad and Rather, Ghulam Mohammad and Dar, Manzoor Ahmad} } @article {48104, title = {Process development for crystalline xylitol production from corncob biomass by Pichia caribbica}, journal = {Food and Bioproducts Processing}, volume = {133}, year = {2022}, month = {MAY}, pages = {45-56}, type = {Article}, abstract = {

Xylitol, a commodity chemical, is widely used in nutraceutical and pharmaceutical formulations. Microbial xylitol production is a promising alternative to mitigate current industrial practice issues and offers an environment-friendly sustainable conversion route. This study demonstrates a bioprocess for xylitol production from corncob using a mesophilic yeast Pichia caribbica. Corncob was hydrolyzed by dilute acid and steam explosion to recover fermentable xylose and used as the feed for xylitol production. Activated carbon treatment (3\% w/v) completely removed the biomass-derived inhibitors furfural and hydroxymethyl furfural from the liquid hydrolysate. The fermenting yeast Pichia caribbica produced 124.1 +/- 0.45 g/L xylitol from the detoxified and concentrated corncob hydrolysate with a high yield of 0.80 +/- 0.02 g/g. The crystallized xylitol with 96.5\% purity demonstrated no harmful effects on the cell line used as a control for the in-vitro toxicity studies. This proof of concept can be applied to help scale up for bio-refinery-based large-scale production of xylitol from corncob biomass.(c) 2022 Institution of Chemical Engineers. Published by Elsevier Ltd. All rights reserved.

}, keywords = {Biomass, Corncob, Detoxification, Fermentation, Toxicity analysis, xylitol}, issn = {0960-3085}, doi = {10.1016/j.fbp.2022.02.006}, author = {Dasgupta, Diptarka and Sidana, Arushdeep and Sarkar, Bipul and More, Snehal and Ghosh, Debashish and Bhaskar, Thallada and Ray, Anjan} } @article {47762, title = {Process development for detoxification of corncob hydrolysate using activated charcoal for xylitol production}, journal = {Journal of Environmental Chemical Engineering}, volume = {10}, year = {2022}, month = {FEB}, pages = {107097}, type = {Article}, abstract = {The work describes process development for detoxification of corncob hydrolysate using activated carbon for microbial xylitol production. Activated carbon was used as an adsorbent to completely remove the major fermentation inhibitors obtained during dilute acid and steam explosion of biomass. A xylitol yield of 0.78 g/g was achieved from the detoxified hydrolysate in a 5 L fermenter by Pichia caribbica. The spent carbon was effectively regenerated and used for three consecutive cycles of operation. The successive regeneration and reuse of carbon could reduce the operational cost by similar to 38\% and be used as a reference dataset for process scale-up and cost-effective xylitol production.}, keywords = {Activated charcoal, Detoxification, Fermentation, Regeneration, xylitol}, issn = {2213-2929}, doi = {10.1016/j.jece.2021.107097}, author = {Ahuja, Vishal and Kshirsagar, Siddheshwar and Ghosh, Prasenjit and Sarkar, Bipul and Sutar, Ajit and More, Snehal and Dasgupta, Diptarka} } @article {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 {48160, title = {Ready access to benzannulated [5,5]-oxaspirolactones using Au(III)-catalyzed cascade cyclizations}, journal = {Journal of Organic Chemistry}, volume = {87}, year = {2022}, month = {MAR}, pages = {3025-3041}, type = {Article}, abstract = {

This work showcases an unprecedented Au(III)-catalyzed cascade cyclization of 2-(4-hydroxyalkynyl)benzoates to access benzannulated [5,5]-oxaspirolactones related to biologically active natural products. This reaction proceeds through an initial 5-endo-dig mode of hydroalkoxylation of the alkynol segment to give the oxocarbenium species (via cyclic enol-ether) followed by the addition of carboxylate onto the oxocarbenium that delivers the oxaspirolactone scaffold. While testing this method{\textquoteright}s scope, we found that the steric and electronic environment of the hydroxyl group could alter the reaction pathway that delivers isochromenone through a competitive 6-endo-dig mode of attack of the carboxylate onto the tethered alkyne.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.1c02843}, author = {Mankad, Yash and Thorat, Sagar S. and Das, Pronay and Krishna, Gamidi Rama and Kontham, Ravindar and Reddy, D. Srinivasa} } @article {48119, title = {Recent advances in the metal-organic framework-based electrocatalysts for trifunctional electrocatalysis}, journal = {Dalton Transactions}, volume = {51}, year = {2022}, month = {SEP}, pages = {13573-13590}, type = {Review}, abstract = {

The sustainable energy technology is in great demand due to the depletion and the risks associated with the use of fossil fuels. Various energy technologies like regenerative fuel cells, zinc-air batteries, and overall water-splitting devices have a huge scope in the growth of green energy. The efficiency of these devices is reliant upon the multifunctional electrocatalysts, which include both bifunctional and trifunctional electrocatalysts. Among the different categories of the materials used for such multifunctional electrocatalysis, metal-organic-frameworks (MOFs) occupy a very consolidated place because of their high surface area, porosity, and many other unique physicochemical properties. However, the use of MOFs for the trifunctional electrocatalytic applications is in the budding phase and needs to be explored more. Further, most of these MOF-based trifunctional electrocatalysts are derived by pyrolyzing MOFs at high temperatures. Therefore, there is a need to develop more conductive MOFs which can be directly utilized for the trifunctional applications. In this frontier article, we present the latest reports on the MOF-based materials for trifunctional applications. The material design strategies of the MOF-based materials for trifunctional electrocatalysis have been discussed. The progressive improvements made with MOFs in electrocatalytic applications have been provided with emphasis on the structural, active site and compositional requirements. Finally, the challenges and viewpoints on the future development of the MOF-based materials for trifunctional electrocatalysis have been provided.

}, issn = {1477-9226}, doi = {10.1039/d2dt01981g}, author = {Devi, Bandhana and Koner, Rik Rani and Kurungot, Sreekumar} } @article {48378, title = {Rediscovering Bacon{\textquoteright}s hydrazine/phenylhydrazine mediated cyclization of 2,2 {\textquoteleft}-dicarbonylbi(hetero)aryls: construction of (5-azo)-/indazolo[2,3-a]quinolines}, journal = {Organic \& Biomolecular Chemistry}, volume = {20}, year = {2022}, month = {JAN}, pages = {636-648}, type = {Article}, abstract = {

Hydrazine/phenylhydrazine-mediated reductive dicarbonyl coupling reactions have been carried out under mild conditions to provide polycyclic aromatic compounds and azo-substituted polyaromatic compounds. This method has a broad substrate scope with good functional group compatibility.

}, issn = {1477-0520}, doi = {10.1039/d1ob02207e}, author = {Dhote, Pawan S. and Ramana, V. Chepuri} } @article {48125, title = {Regio-isomerism directed electrocatalysis for energy efficient zinc-air battery}, journal = {iScience}, volume = {25}, year = {2022}, month = {OCT }, pages = {105179}, type = {Article}, abstract = {

We have investigated the role of ligand isomerism in modulating the mechanisms and kinetics associated with charge/ discharge chemistry of an aqueous metal-air battery. The dominant electron-withdrawing inductive effect (-I effect) and the diminished electron-withdrawing resonance effect (-R effect) in the alpha-NO2 isomer noticeably diminishes the rate of oxygen reduction (ORR) and oxygen evolution reactions (OER) on the catalytic Co-center. In their beta-counterpart, the cumulative -I and -R effects noticeably enhance the OER and ORR kinetics on the same catalytic Co-center. Therefore, the regioisomerism of the -NO2 functionality amplifies the kinetics of ORR/OER without influencing their mechanistic pathways. When isomeric electrocatalysts are integrated to aid the charge chemistry of a Zn-air battery, the overpotential could be decreased by similar to 250mV with beta-NO2 isomer leading to a round-trip efficiency as high as 60\%. This work contributes to the design of novel molecular platforms to target the overall round-trip efficiency of energy storage and conversion devices.

}, doi = {10.1016/j.isci.2022.105179}, author = {Mukhopadhyay, Sanchayita and Devendrachari, Mruthyunjayachari Chattanahalli and Kanade, Sandeep C. and Vinod, Chathakudath Prabhakaran and Kotresh, Harish Makri Nimbegondi and Thotiyl, Musthafa Ottakam} } @article {47769, title = {Regioselectivity in metalloradical catalyzed C-H bond activation: a theoretical study}, journal = {Journal of Organometallic Chemistry}, volume = {957}, year = {2022}, month = {JAN }, pages = {122179}, type = {Article}, abstract = {Pure quantum mechanical calculations were performed to find out the origin of regioselectivity under the metalloradical catalysis (MRC) by Co(II)-porphyrin, which showed regioselectivity is the inherent property of the aminyl radical generated from the sulfamoyl azide substrate. Different conformational analysis for the transition state from alpha-Co-III-aminyl radical to zeta-Co-III-alkyl radical formation have been studied to find out the most stable conformation for the preferable selectivity. The outcome of our study completely agrees with the reported experimental results. (C) 2021 Elsevier B.V. All rights reserved.}, keywords = {C-H activation, DFT, Metalloporphyrin, Metalloradical, Regioselectivity}, issn = {0022-328X}, doi = {10.1016/j.jorganchem.2021.122179}, author = {Mukherjee, Anirban and Singh, Ritesh and Mane, Kishor D. and Das, Gourab Kanti} } @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 {48219, title = {Scan-find-scan-model: discrete site-targeted suppressor design strategy for amyloid-beta}, journal = {ACS Chemical Neuroscience}, volume = {13}, year = {2022}, month = {JUL}, pages = {2191-2208}, type = {Article}, abstract = {

Alzheimer{\textquoteright}s disease is undoubtedly the most well-studied ranks at the top in terms of getting attention from the scientific community for structural property-based characterization. Even after decades of extensive research, there is existing volatility in terms of understanding and hence the effective tackling procedures against the disease that arises due to the lack of knowledge of both specific targetand site-specific drugs. Here, we develop a multidimensional approach based on the characterization of the common static-dynamic-thermodynamic trait of the monomeric protein, which efficiently identifies a small target sequence that contains an inherent tendency to misfold and consequently aggregate. The robustness of the identification of the target sequence comes with an abundance of a priori knowledge about the length and sequence of the target and hence guides toward effective designing of the target-specific drug with a very low probability of bottleneck and failure. Based on the target sequence information, we further identified a specific mutant that showed the maximum potential to act as a destabilizer of the monomeric protein as well as enormous success as an aggregation suppressor. We eventually tested the drug efficacy by estimating the extent of modulation of binding affinity existing within the fibrillar form of the A beta protein due to a single-point mutation and hence provided a proof of concept of the entire protocol.

}, keywords = {configurational misfoldability, drug developability, inherent frustration, potential aggregability, sequence-based mutability, target specificity}, issn = {1948-7193}, doi = {10.1021/acschemneuro.2c00272}, author = {Bhagavatula, Hasathi and Sarkar, Archishman and Santra, Binit and Das, Atanu} } @article {48079, title = {Silk fibroin microparticle scaffold for use in bone void filling: safety and efficacy studies}, journal = {ACS Biomaterials Science \& Engineering}, volume = {8}, year = {2022}, month = {MAR}, pages = {1226-1238}, type = {Article}, abstract = {

Silk fibroin (SF) is a natural biocompatible protein polymer extracted from cocoons of silkworm Bombyx mori. SF can be processed into a variety of different forms and shapes that can be used as scaffolds to support bone regeneration. Threedimensional (3D) SF scaffolds have shown promise in bone-void -filling applications. In in vitro studies, it has been demonstrated that a microparticle-based SF (M-RSF) scaffold promotes the differentiation of stem cells into an osteoblastic lineage. The expression of differentiation markers was also significantly higher for M-RSF scaffolds as compared to other SF scaffolds and commercial ceramic scaffolds. In this work, we have evaluated the in vitro and in vivo biocompatibility of M-RSF scaffolds as per the ISO 10993 guidelines in a Good Laboratory Practice (GLP)-certified facility. The cytotoxicity, immunogenicity, genotoxicity, systemic toxicity, and implantation studies confirmed that the M-RSF scaffold is biocompatible. Further, the performance of the MRSF scaffold to support bone formation was evaluated in in vivo bone implantation studies in a rabbit model. Calcium sulfate (CaSO4) scaffolds were chosen as reference material for this study as they are one of the preferred materials for bone-void -filling applications. M-RSF scaffold implantation sites showed a higher number of osteoblast and osteoclast cells as compared to CaSO4 implantation sites indicating active bone remodeling. The number density of osteocytes was double for M-RSF scaffold implantation sites, and these M-RSF scaffold implantation sites were characterized by enhanced collagen deposition, pointing toward a finer quality of the new bone formed. Moreover, the M-RSF scaffold implantation sites had a negligible incidence of secondary fractures as compared to the CaSO4 implantation sites (similar to 50\% sites with secondary fracture), implying a reduction in postsurgical complications. Thus, the study demonstrates that the M-RSF scaffold is nontoxic for bone-void -filling applications and facilitates superior healing of fracture defects as compared to commercial calcium-based bone void fillers.

}, keywords = {Biocompatibility, biological safety, bone void filler, ISO 10993, M-RSF, Serioss, Silk fibroin}, issn = {2373-9878}, doi = {10.1021/acsbiomaterials.1c01103}, author = {Deshpande, Rucha and Shukla, Swati and Kale, Amod and Deshmukh, Narendra and Nisal, Anuya and Venugopalan, Premnath} } @article {48405, title = {Silver dependent enantiodivergent gold(i) catalysed asymmetric intramolecular hydroamination of alkenes: a theoretical study}, journal = {Catalysts}, volume = {12}, year = {2022}, month = {NOV}, pages = {1392}, type = {Article}, abstract = {

We report a theoretical study of the first silver-dependent enantiodivergent gold-catalysed reaction. The combination of a single chiral binuclear gold(I) chloride complex and silver perchlorate catalyses the asymmetric intramolecular hydroamination of alkenes and affords both enantiomers of the products by applying a simple solvent change from toluene to methanol. A gold-silver chloride adduct that occurs only in methanol appears to control the enantioinversion. If one gold atom coordinates and activates the alkene moiety, the other gold is included in an adduct with silver chloride, which coordinates a methanol solvent molecule and further interacts with the amine function. If the use of toluene implies free anions and affords (S)-enantiomer, methanol allows a proximal interaction with the amine, leads to an opposite stereodifferentiation of the two diastereomeric intermediates during the final protodeauration step and results in the (R)-enantiomer.

}, keywords = {alkene, enantiodivergent catalysis, Gold, hydroamination, Silver}, doi = {10.3390/catal12111392}, author = {Dixit, Ruchi and Sharma, Himanshu and Agbossou-Niedercorn, Francine and Vanka, Kumar and Michon, Christophe} } @conference {48195, title = {Skin mimicking solid optical tissue phantom fulfillment and its characterization}, booktitle = {Photonics in Dermatology and Plastic Surgery 2022}, year = {2022}, publisher = {SPIE}, organization = {SPIE}, address = {1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA}, abstract = {

Skin mimicking optical tissue phantoms are widely used in diagnostics systems for characterization, optimization, routine calibration and validation. In general, solid phantoms are more preferred in comparison to liquid phantoms. Therefore, our aim is to prepare and characterize the solid tissue phantoms having skin equivalent optical properties. In this work, we have used epoxy resin and hardener as a base material and titanium oxide (TiO2) nanoparticles and ink as a scatterer and absorber media, respectively. The total transmission (Tt), collimated transmission (Tc), and diffuse reflectance (Rd) spectra of the developed phantoms were measured with an integrating sphere installed in UV-VIS spectrometer within the wavelength range 400-700 nm. To characterize the optical properties such as absorption (mu(a)), reduced scattering (mu(s){\textquoteright}), and anisotropy factor (g) of the developed tissue phantoms, the numerical model based on Inverse Adding Doubling (IAD) has been used. With various concentrations of absorber and scatterer, a calibration curve was prepared. The calculated experimental optical properties from IAD matched with the predicted intrinsic optical properties of the skin. Thus, the preliminary results suggest that the recipe used in this study may be used as an alternative approach to developing skin mimicking solid optical phantom for diagnostics system applications.

}, keywords = {Absorption, anisotropy factor, scattering, skin mimicking, solid tissue phantom}, isbn = {978-1-5106-4740-4; 978-1-5106-4739-8}, doi = {10.1117/12.2609577}, author = {Kumar, Ajay and Hinge, Sarika and Dixit, Hemant and Kanawade, Rajesh and Kulkarni, Gauri}, editor = {Choi, B and Zeng, H} } @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 {48060, title = {Studies in instant water disinfection using natural oils}, journal = {Biochemical Engineering Journal}, volume = {187}, year = {2022}, month = {NOV}, pages = {108631}, type = {Article}, abstract = {

The present research reveals an instant and simple process for drinking water treatment by employing specific natural oils having antimicrobial properties to ensure complete elimination of harmful bacteria. The disinfection was studied for two different model bacteria, Gram-negative E. coli and Gram-positive, S. aureus. Seven natural oils, ajwain, thyme, oregano, peppermint, harsingar, cinnamon leaf and black pepper oil were evaluated and were found to yield 100\% water disinfection within 1 min except for harsingar and black pepper oil. The process was also effective for the instant and 100\% disinfection of real well water. The methodology for altering zeta potential, to an extent of 130\%, for instant disinfection in drinking water treatment helps in selecting natural oils. Molecular docking studies indicated natural oils action as potential inhibitors of bacterial DNA gyrase. The studies indicate one of the lowest operating costs comparable to conventional chlorination. The simple meth-odology not requiring complex equipment has the potential to provide many options for implementations-from portability, household application to large scale water treatment plants.

}, keywords = {Bacteria removal, Natural oil, Technology, Water treatment, Zeta potential}, issn = {1369-703X}, doi = {10.1016/j.bej.2022.108631}, author = {Dixit, Divya and Bhandari, Vinay M. and Mane, Maya B. and Balapure, Kshama} } @article {48092, title = {Study on anisotropy in wire arc additively manufactured Inconel 625 multi-layered wall and its correlation with molten pool thermal history}, journal = {Materials Science and Engineering A-Structural Materials Properties Microstructure and Processing}, volume = {840}, year = {2022}, month = {APR}, pages = {142865}, type = {Article}, abstract = {

In the present study, the variation in molten pool thermal history with layer number during wire arc additive manufacturing of Inconel 625 wall was investigated. Further, its effect on the evolution of microstructure and anisotropy in mechanical and corrosion properties was reported. During the deposition process, the molten pool thermal history was monitored using a non-contact type IR pyrometer operating at 1.6 mu m wavelength. A total number of 40 layers were deposited, building a wall of 60 mm height. With an increase in layer number, the molten pool lifetime and cooling rate were found to increase and decrease, respectively, resulting in coarse grains and increased elemental segregation or Laves phase formation. To investigate its effect on mechanical properties, the samples were collected in a skewed fashion along the height with orientation in the deposition direction. The tensile specimens collected close to the substrate exhibited better strength and ductility, while the samples from the top location of the wall exhibited a relatively brittle mode of fracture, which was investigated by carrying out the fracture surface analysis using SEM. Corrosion test was also conducted along the height of the wall, wherein the samples close to substrate exhibited better corrosion resistance due to refined microstructure and low elemental segregations. Further, EDS, XRD analysis and hardness test were carried out to investigate the elemental composition, variation in phases and hardness with layer number, respectively.

}, keywords = {anisotropy, Layer number, mechanical properties, Molten pool thermal history, Wire arc additive manufacturing}, issn = {0921-5093}, doi = {10.1016/j.msea.2022.142865}, author = {Nagallapati, Vishwanath and Choudhary, Amit and Torris, Arun and Muvvala, Gopinath and Dadasaheb, Sagar Pawar and Gudur, Srinath Ellaswamy} } @article {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 {48183, title = {Synergistic electronic effects in AuCo nanoparticles stabilized in a triazine-based covalent organic framework: a catalyst for methyl orange and methylene blue reduction}, journal = {ACS Applied Nano Materials}, volume = {5}, year = {2022}, month = {APR }, pages = {4744-4753}, type = {Article}, abstract = {

Developing stable active catalysts for reducing water-soluble pollutants is a desirable target. In this pursuit, we have functionalized covalent organic frameworks (COFs) with gold (Au) and cobalt (Co) nanoparticles via a one-step aqueous synthesis process, and their catalytic activity in reducing methyl orange and methylene blue is examined. Operando absorbance measurements of methyl orange (anionic dye) reduction revealed AuCoCOF (1.3 Au/1.0 Co) to have superior kinetics over many other catalysts, which typically require additional external stimuli (e.g., photons) and higher catalyst loadings. After confirming the homogeneous dispersion of the nanoparticles on the COF support using three-dimensional (3D) tomography and material stability through powder X-ray diffraction (PXRD), infrared (IR), and thermal studies, we investigated their redox activity. Cyclic voltammetry (CV) confirmed the involvement of both metals in the redox process, while spectroelectrochemical measurements show that their activity and kinetics remain unaltered by an applied potential. Solid-state UV measurements reveal that the neat COF is a semiconductor with a large band gap (2.8 eV), which is substantially lowered when loaded with cobalt nanoparticles (2.2 eV for CoCOF). The electronic synergy between Au and Co nanoparticles further reduces the band gap of AuCoCOF (1.9 eV). Thus, there is a definite advantage in doping non-noble metal nanoparticles into a noble metal lattice and nanoconfining them into a porous COF support. Our study highlights the significance of bimetallic COF-supported nanocatalysts, wherein one can engage each component toward targeted applications that demand redox activity with favorable kinetics.

}, keywords = {AuCoCOF, band gaps, Covalent organic framework, methyl orange reduction, Nanoparticles, UV-vis spectroscopy}, doi = {10.1021/acsanm.1c04212}, author = {Devulapalli, Venkata Swaroopa Datta and Kushwaha, Rinku and Ovalle, Edwin and Singh, Himan Dev and Shekhar, Pragalbh and Chakraborty, Debanjan and Vinod, Chathakudath Prabhakaran and Vaidhyanathan, Ramanathan and Borguet, Eric} } @article {47760, title = {Synthesis of indeno-[1,2-b]-quinoline-9,11(6H,10H)-dione and 7,7-dimethyl-10-aryl-7,8-dihydro-5H-indeno[1,2-b]quinoline-9,11(6H,10H )-dione derivatives in presence of heterogeneous Cu/zeolite-Y as a catalyst}, journal = {RSC Advances}, volume = {12}, year = {2022}, month = {JAN }, pages = {2083-2093}, type = {Article}, abstract = {A simple method for the synthesis of indeno-[1,2-b]-quinoline-9,11-(6H,10H)-dione derivatives and 7,7-dimethyl-10-aryl-7,8-dihydro-5H-indeno[1,2-b]quinoline-9,11(6H,10H )-diones through the reaction of aromatic aldehydes, indan-1,3-dione, dimedone, and p-toluidine/ammonium acetate in the presence of heterogeneous CuO supported on a zeolite-Y catalyst has been investigated in ethanol under reflux conditions. By this method, the reaction time has been reduced, giving an excellent yield of the product. The catalyst was prepared by a hydrothermal method followed by a wet impregnation method. The catalyst had shown Bronsted acid sites and Lewis acid sites. The used catalyst could be actively recycled with a marginal decrease in yield up to five recycles. The prepared catalyst was characterized by FT-IR, pyridine FT-IR, XRD, SEM, EDS, XPS, TEM, and BET surface area analysis. The synthesized compounds were characterized by FT-IR, H-1 NMR, C-13 NMR and GC-MS spectroscopy.}, doi = {10.1039/d1ra06637d}, author = {Dhengale, Shankar D. and Rode, V. Chandrashekhar and Kolekar, Govind B. and Anbhule, V. Prashant} } @article {47730, title = {Tantalum based single, double, and triple atom catalysts supported on g-C2N monolayer for effective nitrogen reduction reaction: a comparative DFT investigation}, journal = {Catalysis Science \& Technology}, volume = {12}, year = {2022}, month = {JAN }, pages = {310-319}, type = {Article}, abstract = {Design of efficient and low cost electrocatalysts for the reduction of N-2 molecule to NH3 in a green manner remains a great challenge in the 21st century. Herein, we have used density functional theory based first principle simulations to systematically investigate the nitrogen reduction reaction (NRR) ability of single, double, and triple Ta-atom catalysts anchored to C2N monolayer. Our results demonstrate that the single and triple Ta-atom catalysts anchored to C2N monolayer act as superior catalysts for the NRR via alternating and distal pathways as compared to the Ru(0001) stepped surface. In particular, the triple Ta-atom catalyst anchored to C2N shows enhanced NRR performance with a limiting potential of -0.72 V which is comparable to the experimentally reported Ru based single atom catalyst. Further, all the three catalysts were found to be highly selective for NRR with an enhanced ability to suppress the competitive hydrogen evolution reaction. Electronic structure analysis revealed that the enhanced ability of Ta-3@C2N catalyst to effectively capture and reduce N-2 molecule could be attributed to the built up of localized d states near the fermi level, thereby aiding in strong electron transfer into the antibonding orbitals of N-2. Thus, our findings propose a highly active catalyst for the NRR with an emphasis on the importance of triple atom-based catalysts for electrocatalytic applications.}, issn = {2044-4753}, doi = {10.1039/d1cy01292d}, author = {Rasool, Anjumun and Anis, Insha and Dixit, Mudit and Maibam, Ashakiran and Hassan, Afshana and Krishnamurty, Sailaja and Dar, Manzoor Ahmad} } @article {48403, title = {Temporal analysis of melanogenesis identifies fatty acid metabolism as key skin pigment regulator}, journal = {Plos Biology}, volume = {20}, year = {2022}, month = {MAY}, pages = {e3001634}, type = {Article}, abstract = {

Therapeutic methods to modulate skin pigmentation has important implications for skin cancer prevention and for treating cutaneous hyperpigmentary conditions. Towards defining new potential targets, we followed temporal dynamics of melanogenesis using a cell-autonomous pigmentation model. Our study elucidates 3 dominant phases of synchronized metabolic and transcriptional reprogramming. The melanogenic trigger is associated with high MITF levels along with rapid uptake of glucose. The transition to pigmented state is accompanied by increased glucose channelisation to anabolic pathways that support melanosome biogenesis. SREBF1-mediated up-regulation of fatty acid synthesis results in a transient accumulation of lipid droplets and enhancement of fatty acids oxidation through mitochondrial respiration. While this heightened bioenergetic activity is important to sustain melanogenesis, it impairs mitochondria lately, shifting the metabolism towards glycolysis. This recovery phase is accompanied by activation of the NRF2 detoxication pathway. Finally, we show that inhibitors of lipid metabolism can resolve hyperpigmentary conditions in a guinea pig UV-tanning model. Our study reveals rewiring of the metabolic circuit during melanogenesis, and fatty acid metabolism as a potential therapeutic target in a variety of cutaneous diseases manifesting hyperpigmentary phenotype.

}, issn = {1544-9173}, doi = {10.1371/journal.pbio.3001634}, author = {Sultan, Farina and Basu, Reelina and Murthy, Divya and Kochar, Manisha and Attri, Kuldeep S. and Aggarwal, Ayush and Kumari, Pooja and Dnyane, Pooja and Tanwar, Jyoti and Motiani, Rajender K. and Singh, Archana and Gadgil, Chetan and Bhavesh, Neel Sarovar and Singh, Pankaj K. and Natarajan, Vivek T. and Gokhale, Rajesh S.} } @article {47771, title = {Thermodynamics and its correlation with dynamics in a mean-field model and pinned systems: a comparative study using two different methods of entropy calculation}, journal = {Journal of Chemical Physics}, volume = {156}, year = {2022}, month = {JAN }, pages = {014503}, type = {Article}, abstract = {A recent study introduced a novel mean-field model system where each particle over and above the interaction with its regular neighbors interacts with k extra pseudo-neighbors. Here, we present an extensive study of thermodynamics and its correlation with the dynamics of this system. We surprisingly find that the well-known thermodynamic integration (TI) method of calculating the entropy provides unphysical results. It predicts vanishing of the configurational entropy at temperatures close to the onset temperature of the system and negative values of the configurational entropy at lower temperatures. Interestingly, well below the temperature at which the configurational entropy vanishes, both the collective and the single-particle dynamics of the system show complete relaxation. Negative values of the configurational entropy are unphysical, and complete relaxation when the configurational entropy is zero violates the prediction of the random first-order transition theory (RFOT). However, the entropy calculated using the two-phase thermodynamics (2PT) method remains positive at all temperatures for which we can equilibrate the system, and its values are consistent with RFOT predictions. We find that with an increase in k, the difference in the entropy computed using the two methods increases. A similar effect is also observed for a system where a randomly selected fraction of the particles are pinned in their positions in the equilibrated liquid. We show that the difference in entropy calculated via the 2PT and TI methods increases with pinning density.}, issn = {0021-9606}, doi = {10.1063/5.0065668}, author = {Nandi, Ujjwal Kumar and Patel, Palak and Moid, Mohd and Nandi, Manoj Kumar and Sengupta, Shiladitya and Karmakar, Smarajit and Maiti, Prabal K. and Dasgupta, Chandan and Bhattacharyya, Sarika Maitra} } @article {48033, title = {Thiocyanate- and thiol-functionalized p-doped quantum dot colloids for the development of bulk homojunction solar cells}, journal = {Energy Technology}, volume = {10}, year = {2022}, month = {SEP}, pages = {2200455}, type = {Article}, abstract = {

Progress in device engineering and surface passivation strategies has led to steady progress in colloidal quantum dot (QD) solar cells. Bulk homojunction (BHJ) device architecture has several advantages over the conventional planar junction in developing QD solar cells. Herein, surface ligand chemistry is utilized to control the doping type and dispersibility of oppositely doped PbS QDs to develop BHJ solar cells. Thiocyanate and thiol ligand combination is introduced to develop p-PbS QD ink, which is blended with halide-passivated n-PbS QDs to build BHJ solar cells. It is shown that BHJ solar cells are benefited from high energy offset and higher hole mobility. This leads to the superior carrier extraction from a thicker active layer without compromising fill factor and open circuit voltage. Power conversion efficiency has reached 10.7\% in 530 nm-thick BHJ solar cells, a 24\% improvement over the best performing planar solar cells. With the help of the 1D solar cell capacitance simulator, it is shown that a 15\% efficient QD solar cell can be realized by further improving the hole mobility above 0.1 cm(2) V-1 s(-1).

}, keywords = {bulk homojunctions, Doping, quantum dots, solar cells, surface functionalization}, issn = {2194-4288}, doi = {10.1002/ente.202200455}, author = {Dambhare, V. Neha and Sharma, Ashish and Mahajan, Chandan and Rath, Arup K.} } @article {48390, title = {Toughening poly(l-lactide) blends: effectiveness of sequence-controlled six-arm star-branched block copolymers of poly(L-lactide) and poly(epsilon-caprolactone)}, journal = {ACS Omega}, volume = {7}, year = {2022}, month = {MAR}, pages = {9118-9129}, type = {Article}, abstract = {

Well-defined six-arm star-branched bio-degradable block copolymers of L-lactide and epsilon-caprolactone were prepared using controlled ring-opening polymerization and a sequential monomer addition method using dipentaerythritol as the initiator core and organocatalysts at low temperatures in solution. Sequence of enchainment was changed by reversing the order of monomer addition giving, either, a crystalline PLA block or an amorphous PCL block as the outer segment. Well-defined six-arm poly(epsilon-caprolactone-b-L-lactide, 6s-PCL-b-PLA) block copolymers were obtained with a range of segment molecular weights. However, in the case of six-arm poly(L-lactide-b-epsilon-caprolactone, 6s-PLA-b-PCL), disruption of the block structure was observed on account of competing transesterification reactions accompanying a chain-growth reaction. Such sequence-controlled block copolymers showed interesting phase morphologies, as evidenced by differential scanning calorimetry (DSC) studies. 6s-PCL-b-PLA showed two glass-transition temperatures and two melting temperatures characteristic of the amorphous and crystalline blocks. 6s-PCL-b-PLA and 6s-PLA-b-PCL with different segment chain lengths were solution blended (10 wt \%) with a commercially sourced PLA. All the blends were highly transparent. The structure and properties of the blend were examined by DSC, measurement of mechanical properties, and scanning electron microscopy. The results show that a phase-separated 6s-PCL-b-PLA copolymer results in two- to three-fold improvement in tensile toughness without the loss of modulus. A possible hypothesis for the mechanism of tensile toughness in the blend has been proposed.

}, issn = {2470-1343}, doi = {10.1021/acsomega.1c04486}, author = {Deokar, Megha D. and Garnaik, Baijayantimala and Sivaram, Swaminathan} } @article {48230, title = {Transcriptional and translational perturbation in abiotic stress induced physiological activities and metabolic pathway networks in spongy tissue disorder of mango fruit}, journal = {Postharvest Biology and Technology}, volume = {188}, year = {2022}, month = {JUN}, pages = {111880}, type = {Article}, abstract = {

Spongy tissue formation is economically the most detrimental but agriculturally less focused physiological disorder in mango. {\textquoteleft}Alphonso{\textquoteright} cultivar is highly prone to oxidative stress induced spongy tissue disorder impacting biochemical and metabolic profile, thereby affecting pulp quality and nutritional value of the fruit. In the present study, comparative analysis of spongy and healthy mesocarp tissues of {\textquoteleft}Alphonso{\textquoteright} mango by transcriptomics using Illumina sequencing and proteomics using LC-MS approaches, respectively identified and quantified many genes and proteins in the metabolic pathways responsible for the spongy tissue development. The table green and the mid ripe stages of {\textquoteleft}Alphonso{\textquoteright} fruit ripening were evaluated by the transcriptomic study and outcomes were validated using proteomic investigations for all the four ripening stages. Colossal amount of data including 30,582 transcripts, 10,800 gene ontologies and 387 putative proteins was generated from this analysis. Current multi-omics exploration revealed the development of abiotic stress (mainly oxidative stress) induced perturbations in various metabolic pathways and their interconnections, leading to the spongy tissue formation in mango. This further unfolded the altered cell wall degradation, ethylene and flavonoid biosynthesis, fruit ripening and flavor formation, thus hampering the fruit specific characteristics in mango with spongy tissue disorder.

}, keywords = {Oxidative stress, Proteome, spongy tissue disorder, Transcriptome, {\textquoteleft} Alphonso {\textquoteleft} mango}, issn = {0925-5214}, doi = {10.1016/j.postharvbio.2022.111880}, author = {Oak, Pranjali and Jha, Vineet and Deshpande, Ashish and Tanpure, Rahul and Dawkar, Vishal and Mundhe, Swapnil and Ghuge, Sandeep and Prabhudesai, Shrikant and Krishanpal, Anamika and Jere, Abhay and Giri, Ashok and Gupta, Vidya} } @article {47826, title = {Tuning of oxygen reduction pathways through structural variation in transition metal-doped Ba2In2O5}, journal = {ChemElectroChem}, volume = {9}, year = {2022}, month = {JAN}, pages = {e202101163}, type = {Article}, abstract = {Abstract Oxygen reduction reaction (ORR) can take place either through a two-electron pathway to form H2O2 or through a four-electron pathway to form H2O. Both the reactions are important in the respective fields, viz., H2O2 production as well as fuel cell technology, and rational design of catalysts is mandatory to acquire high energy efficiency in both cases. Here, we report the structure-electrochemical property correlation of a series of perovskite related brownmillerite compounds, Ba2In0.75M0.25O5 (M=Mn/Fe/Co/Ni/Cu), synthesized by solid-state method. On transition metal doping, octahedral distortions were observed, and the highly disordered material tends to follow the 4e transfer mechanism. More symmetrical structures followed the 2e pathway to form H2O2 as the product with high peroxide selectivity. The distortion in the octahedral arrangement can be a descriptor to finetune the selectivity of the catalysts towards the 2e and 4e pathways of ORR.}, keywords = {brownmillerite, Descriptors, Electrochemical H2O2 synthesis, Octahedral distortion, oxygen reduction reaction}, doi = {10.1002/celc.202101163}, author = {Thundiyil, Shibin and Pandikassala, Ajmal and Kurungot, Sreekumar and Devi, R. Nandini} } @article {48162, title = {Versatile chemistry of six-membered NHC with boranes: bromination at sp(3) borane, activation of the B-H bond of HBpin, and ring expansion of NHC}, journal = {Dalton Transactions}, volume = {51}, year = {2022}, month = {OCT}, pages = {14452-14457}, type = {Article}, abstract = {

The NHC.borane chemistry has been majorly restricted to imidazol-2-ylidene classes of carbenes. In our previous communication, we reported the synthesis of 6-SIDipp center dot BH3 [6-SIDipp = 1,3-di(2,6-diisopropylphenyl) tetrahydropyrimidine-2-ylidene] and its electrophilic substitution reaction with iodine. Here, we have shown selective bromination of a 6-SIDipp stabilized sp(3) B-H bond. Treatment of 1.2 equivalents of N-bromosuccinamide with 6-SIDipp center dot BH3 gives a mixture of mono- and disubstituted products 6-SIDipp center dot BH2Br (1) and 6-SIDipp center dot BHBr2 (2). However, the reactions with alkyl bromides or carbon tetrabromide resulted in 6-SIDipp center dot BH2Br (1) selectively. Exploration of the chemistry of 6-SIDipp with BHCl2 and 9-BBN (9-borabicyclo[3.3.1]nonane) led to mono-6-SIDipp adducts 3 and 6a. Furthermore, 6a undergoes ring expansion to afford a seven-membered product, 6b, under mild conditions. Unlike BHCl2 or 9-BBN, the B-H bond of HBpin undergoes oxidative addition upon reaction with 6-SIDipp, epitomizing the first example (7) of a B-H bond insertion at NHCs. The analogous reactivity with HBcat led to a tetra-hydropyrimidinium salt with B(cat)(2) as a counteranion (8).

}, issn = {1477-9226}, doi = {10.1039/d2dt01707e}, author = {Kundu, Gargi and Dixit, Ruchi and Tothadi, Srinu and Vanka, Kumar and Sen, Sakya S.} } @article {48416, title = {Viscoelastic covalent organic nanotube fabric via macroscopic entanglement}, journal = {Journal of the American Chemical Society}, volume = {144}, year = {2022}, month = {SEP }, pages = {16052-16059}, type = {Article}, abstract = {

Covalent organic nanotubes (CONTs) are one-dimensional porous frameworks constructed from organic building blocks via dynamic covalent chemistry. CONTs are synthesized as insoluble powder that restricts their potential applications. The judicious selection of 2,2{\textquoteright}-bipyridine-5,5{\textquoteright}-dicarbaldehyde and tetraaminotriptycene as building blocks for TAT-BPy CONTs has led to constructing flexible yet robust and self-standing fabric up to 3 mu m thickness. The TAT-BPy CONTs and TAT-BPy CONT fabric have been characterized by solid-state one-dimensional (1D) C-13 CP-MAS, two-dimensional (2D) C-13-H-1 correlation NMR, 2D H-1-H-1 DQ-SQ NMR, and 2D N-14-H-1 correlation NMR spectroscopy. The mechanism of fabric formation has been established by using high-resolution transmission electron microscopy and scanning electron microscopy techniques. The as-synthesized viscoelastic TAT-BPy CONT fabric exhibits high mechanical strength with a reduced modulus (E-r) of 8 (+/- 3) GPa and hardness (H) of 0.6 (+/- 0.3) GPa. Interestingly, the viscoelastic fabric shows time-dependent elastic depth recovery up to 50-70\%.

}, issn = {0002-7863}, doi = {10.1021/jacs.2c06133}, author = {Koner, Kalipada and Das, Susobhan and Mohata, Shibani and Duong, Nghia Tuan and Nishiyama, Yusuke and Kandambeth, Sharath and Karak, Suvendu and Reddy, C. Malla and Banerjee, Rahul} } @article {48437, title = {Water-controlled keto-enol tautomerization of a prebiotic nucleobase}, journal = {Journal of Physical Chemistry B}, volume = {126}, year = {2022}, month = {JUL}, pages = {5735{\textendash}5743}, type = {Article}, abstract = {

Barbituric acid is believed to be a proto-RNA nucleobase that was used for biological information transfer on prebiotic earth before DNA and RNA in their present forms evolved. Nucleobases have various tautomeric forms and the relative stability of these forms is critical to their biological function. It has been shown that barbituric acid has a tri-keto form in the gas phase and an enol form in the solid state. However, its dominant tautomeric form in aqueous medium that is most relevant for biology has been investigated only to a limited extent and the findings are inconclusive. We have used multiple approaches, namely, molecular dynamics, quantum chemistry, NMR, and IR spectroscopy to determine the most stable tautomer of barbituric acid in solution. We find a delicate balance in the stability of the two tautomers, tri-keto and enol, which is tipped toward the enol as the extent of solvation by water increases.

}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.2c02507}, author = {Datar, Avdhoot and Paithankar, Harshad and Deb, Pranab and Chugh, Jeetender and Bagchi, Sayan and Mukherjee, Arnab and Hazra, Anirban} } @article {48196, title = {Well-defined hierarchical teddy bear sunflower-like NiCo2O4 electrocatalyst for superior water oxidation}, journal = {Sustainable Energy \& Fuels}, volume = {6}, year = {2022}, month = {DEC}, pages = {5491-5502}, type = {Article}, abstract = {

The development of a robust and efficient electrocatalyst for water oxidation is challenging due to the large overpotential requirement to transfer four electrons. Herein, a novel spinel-type hierarchical teddy bear sunflower-like NiCo2O4 electrocatalyst was synthesized through the facile solvothermal process and evaluated for the challenging and demanding oxygen evolution reaction (OER) in the water electrolysis process. The teddy bear sunflower-like NiCo2O4 supported on nickel foam (NF) delivers a current density of 50 mA cm(-2) at a small water oxidation overpotential (eta(50) = 319 mV) which is significantly lower than that of the corresponding spherical NiO/NF (eta(50) = 338 mV), and sea-urchin like Co3O4/NF (eta(50) = 357 mV). A large specific and electroactive surface area, as well as a high TOF value exhibited by the hierarchical teddy bear sunflower-like NiCo2O4 electrocatalyst, demonstrates the potential of NiCo2O4 to catalyze the water oxidation reaction efficiently. The impact of the near-Fermi-level d-orbital states in NiCo2O4 electrocatalyst for boosting OER activity was unveiled by the density functional theory calculation. The stable performance even after 16 h and high catalyst utilization of the hierarchical teddy bear sunflower-like NiCo2O4 through the OER indicates that the catalyst is highly suitable for the large-scale water oxidation process.

}, issn = {2398-4902}, doi = {10.1039/d2se01111e}, author = {Bodhankar, Pradnya M. M. and Dhawale, Dattatray S. S. and Giddey, Sarbjit and Kumar, Ravi and Sarawade, Pradip B. B.} } @article {48753, title = {Activation of the olefinic C-H bond of NHC and NHO by perimidine-based silicon and germanium compounds}, journal = {Organometallics}, volume = {42}, year = {2023}, month = {JUL}, pages = {1909-1917}, type = {Article}, abstract = {

In this manuscript, several backbonegermylene-functionalized zwitterioniccompounds were prepared conveniently from the corresponding N-heterocycliccarbenes or N-heterocyclic olefins in a single step through backboneC-H activation. Our initial motivation was to generate a silylenefrom C10H6(Me3SiN)(2)SiHCl(2) using ItBu [ItBu= (1,3-ditert-butyl)imidazol-2-ylidene], but instead, the reactionled to deprotonation from the imidazolium backbone of ItBu, forming the imidazolium salt with a silyl backbone at the C4position (3). We presumed that the reaction proceededthrough the generation of an ephemeral silylene. We subsequently preparedthe analogous germylene (4) and reacted it with IDipp[IDipp = 1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene], ItBu, and IDipp=CH2. Spectroscopic and crystallographicanalysis of these complexes revealed that, in all cases, there wasdeprotonation from the backbone and formation of zwitterionic products(5-7). When the hydrogen in the NHCbackbone was replaced with methyl groups such as IDipp(Me) (1,3-bis(2,6-diisopropylphenyl)-4,5-dimethylimidazol-2-ylidene),simple adduct formation occurred, exemplified by the isolation ofIDipp(Me)\& BULL;Ge(NSiMe3)(2)C10H6 (8).

}, issn = {0276-7333}, doi = {10.1021/acs.organomet.3c00167}, author = {Gour, Kritika and Pramanik, Debjit and Dash, Soumya Ranjan and Tothadi, Srinu and Vanka, Kumar and Sen, Sakya S.} } @article {48935, title = {Active site engineering and theoretical aspects of {\textquoteleft}{\textquoteleft}Superhydrophilic{\textquoteright}{\textquoteright} nanostructure array enabling efficient overall water electrolysis}, journal = {Small}, volume = {19}, year = {2023}, month = {DEC}, type = {Article}, abstract = {

The rational design of noble metal-free electrocatalysts holds great promise for cost-effective green hydrogen generation through water electrolysis. In this context, here, the development of a superhydrophilic bifunctional electrocatalyst that facilitates both oxygen evolution reaction (OER) and hydrogen evolution reaction (HER) in alkaline conditions is demonstrated. This is achieved through the in situ growth of hierarchical NiMoO4@CoMoO4 center dot xH(2)O nanostructure on nickel foam (NF) via a two-step hydrothermal synthesis method. NiMoO4@CoMoO4 center dot xH(2)O/NF facilitates OER and HER at the overpotentials of 180 and 220 mV, respectively, at the current density of 10 mA cm(-2). The NiMoO4@CoMoO4 center dot xH(2)O/NF parallel to NiMoO4@CoMoO4 center dot xH(2)O/NF cell can be operated at a potential of 1.60 V compared to 1.63 V displayed by the system based on the Pt/C@NF parallel to RuO2@NF standard electrode pair configuration at 10 mA cm(-2) for overall water splitting. The density functional theory calculations for the OER process elucidate that the lowest Delta G of NiMoO4@CoMoO4 compared to both Ni and NiMoO4 is due to the presence of Co in the OER catalytic site and its synergistic interaction with NiMoO4. The preparative strategy and mechanistic understanding make the windows open for the large-scale production of the robust and less expensive electrode material for the overall water electrolysis.

}, keywords = {density functional theory (DFT) study, hydrogen evolution reaction (HER), Hydrothermal synthesis, oxygen evolution reaction (OER), superhydrophilic nanostructures, synergistic interaction, water electrolysis}, issn = {1613-6810}, doi = {10.1002/smll.202304143}, author = {Barik, Sidharth and Kharabe, Geeta Pandurang and Illathvalappil, Rajith and Singh, Chandrodai Pratap and Kanheerampockil, Fayis and Walko, Priyanka S. and Bhat, Suresh K. and Devi, R. Nandini and Vinod, C. P. and Krishnamurty, Sailaja and Kurungot, Sreekumar} } @article {48779, title = {Alloying with Mn enhances the activity and durability of the CoPt catalyst toward the methanol oxidation reaction}, journal = {ACS Applied Materials \& Interfaces}, volume = {15}, year = {2023}, month = {MAY}, pages = {26554-26562}, type = {Article}, abstract = {

To improve the catalytic performance and durability ofPt catalystsused for the methanol oxidation reaction (MOR) in direct methanolfuel cells (DMFCs), alloying of Pt with other transition metals suchas Ru, Co, Ni, and Fe is considered an effective approach. Despitethe significant progress made in the preparation of bimetallic alloysand their utilization for MOR, improving the activity and durabilityof the catalysts to make them commercially viable remains a stiffchallenge. In this work, trimetallic Pt100-x (MnCo)( x ) (16 \< x \< 41) catalysts were successfully synthesized via borohydridereduction followed by hydrothermal treatment at 150 \& DEG;C. The electrocatalyticperformance of the synthesized trimetallic Pt100-x (MnCo)( x ) (16 \< x \< 41) catalysts toward MOR was studied using cyclicvoltammetry and chronoamperometry. The results affirm that all Pt100-x (MnCo)( x ) (16 \< x \< 41) alloys have superior MOR activityand durability as compared to bimetallic PtCo alloys and commerciallyavailable Pt/C (comm. Pt/C) catalysts. Among all the compositionsstudied, the Pt60Mn1.7Co38.3/C catalystexhibited superior mass activity (1.3 and 1.9 times higher than thoseof Pt81Co19/C and comm. Pt/C, respectively)toward MOR. Furthermore, all the newly synthesized Pt100-x (MnCo)( x )/C (16 \< x \< 41) catalysts showed better CO tolerance when comparedwith comm. Pt/C. This improved performance of the Pt100-x (MnCo)( x )/C (16 \< x \< 41) catalyst can be attributed to the synergisticeffect of Co and Mn on the Pt lattice.

}, keywords = {CO tolerance, direct methanol fuel cells, electrocatalysis, methanol oxidation reaction(MOR), trimetallic alloy catalysts}, issn = {1944-8244}, doi = {10.1021/acsami.3c01140}, author = {Deshpande, Pooja and Prasad, Bhagavatula L. V.} } @article {49001, title = {Antibacterial and anti-HIV metabolites from marine streptomyces albus MAB56 isolated from Andaman and Nicobar Islands, India}, journal = {Applied Biochemistry and Biotechnology}, volume = {195}, year = {2023}, month = {DEC}, pages = {7738-7754}, type = {Article}, abstract = {

Marine-derived actinobacteria have tremendous potential to produce novel metabolites with diverse biological activities. The Andaman coast of India has a lot of microbial diversity, but it is still a relatively unknown ecology for isolating novel actinobacteria with beneficial bioactive compounds. We have isolated 568 actinobacterial strains from mangrove rhizosphere sediments and sponge samples. Crude extracts from 75 distinct strains were produced by agar surface fermentation and extracted using ethyl acetate. In the disc diffusion method, 25 actinobacterial strains showed antimicrobial activity; notably, the strain MAB56 demonstrated promising broad-spectrum activity. Strain MAB56 was identified as Streptomyces albus by cultural, microscopic, and molecular methods. Conditions for bioactive metabolites from MAB56 were optimized and produced in a lab-scale fermenter. Three active metabolites (C1, C2, and C3) that showed promising broad-spectrum antimicrobial activity were isolated through HPLC-based purification. Based on the UV, FT-IR, NMR, and LC-MS analysis, the chemical nature of the active compounds was confirmed as 12-methyltetradecanoic acid (C1), palmitic acid (C2), and tridecanoic acid (C3) with molecular formulae C14H28O2, C16H32O2, and C13H26O2, respectively. Interestingly, palmitic acid (C2) also exhibited anti-HIV activity with an IC50 value of \< 1 mu g/ml. Our findings reveal that the actinobacteria from the Andaman marine ecosystems are promising for isolating anti-infective metabolites.

}, keywords = {actinobacteria, Andaman Islands, anti-HIV, Antibacterial, Bioactive metabolites}, issn = {0273-2289}, doi = {10.1007/s12010-023-04493-y}, author = {Manikkam, Radhakrishnan and Murthy, Sangeetha and Palaniappan, Sivasankar and Kaari, Manigundan and Sahu, Amit Kumar and Said, Madhukar and Ganesan, Vijayalakshmi and Kannan, Sivakumar and Ramasamy, Balagurunathan and Thirugnanasambandan, Somasundaram and Dastager, Syed G. and Hanna, Luke Elizabeth and Kumar, Vanaja} } @article {48766, title = {Atomically dispersed manganese on graphene nanosheets as biocompatible nanozyme for glutathione detection in liver tissue lysate using microfluidic paper-based analytical devices}, journal = {ACS Applied Materials \& Interfaces}, volume = {15}, year = {2023}, month = {OCT }, pages = {47902-47920}, type = {Article}, abstract = {

Recently, single atom catalysts (SACs) featuring M-N-x (M = metal) active sites on carbon support have drawn considerable attention due to their promising enzyme-like catalytic properties. However, typical synthesis methods of SACs often involve energy-intensive carbonization processes. Herein, we report a facile one-pot, low-temperature, wet impregnation method to fully utilize M-N-4 sites of manganese phthalocyanine (MnPc) by decorating molecular MnPc over the sheets of graphene nanoplatelets (GNP). The synthesized MnPc@GNP exhibits remarkable peroxidase-mimic catalytic activity toward the oxidation of chromogenic 3,3 {\textquoteleft},5,5({\textquoteright})-tetramethylbenzidine (TMB) substrate owing to the efficient utilization of atomically dispersed Mn and the high surface-to-volume ratio of the porous catalyst. A nanozyme-based colorimetric sensing probe is developed to detect important biomarker glutathione (GSH) within only 5 min in solution phase based on the ability of GSH to effectively inhibit the TMB oxidation. The high sensitivity and selectivity of the developed colorimetric assay enable us to quantitatively determine GSH concentration in different biological fluids. This work, for the first time, reports a rapid MnPc@GNP nanozyme-based colorimetric assay in the solid substrate by fabricating microfluidic paper-based analytical devices (mu PADs). GSH is successfully detected on the fabricated mu PADs coated with only 6.0 mu g of nanozyme containing 1.6 nmol of Mn in the linear range of 0.5-10 mu M with a limit of detection of 1.23 mu M. This work also demonstrates the quantitative detection of GSH in mice liver tissue lysate using mu PADs, which paves the way to develop mu PADs for point-of-care testing.

}, keywords = {colorimetricsensing, Glutathione, mu PADs, nanozyme, single atom catalyst, tissue lysate}, issn = {1944-8244}, doi = {10.1021/acsami.3c08762}, author = {Baruah, Diksha J. and Thakur, Ashutosh and Roy, Esha and Roy, Kallol and Basak, Sumanjita and Neog, Dipankar and Bora, Himangsu K. and Konwar, Rituraj and Chaturvedi, Vikash and Shelke, Manjusha V. and Das, Manash R.} } @article {48807, title = {Automated myocardial infarction and angina detection using second derivative of photoplethysmography}, journal = {Physical and Engineering Sciences in Medicine}, volume = {46}, year = {2023}, month = {SEP}, pages = {1259-1269}, type = {Article}, abstract = {

Photoplethysmography (PPG) based healthcare devices have gained enormous interest in the detection of cardiac abnormalities. Limited research has been implemented for myocardial infarction (MI) detection. Moreover, PPG-based detection of angina is still a research gap. PPG signals are not always informative. Therefore, this research work presents the use of PPG signals and their second derivative to evaluate myocardial infarction and angina using a novel set of morphological features. The obtained morphological features are fed onto the feed-forward artificial neural network for the identification of the type of MI and unstable angina (UA). The initial experiments have been carried out on non-ambulatory (public) subjects for feature extraction and later evaluated on ambulatory (self-generated) databases. The intended method attains accuracy, sensitivity, and specificity of 98\%, 97\%, 98\% on the public database and 94\%, 94\%, 94\% on the self-generated database. The result shows that the proposed set of features can detect MI and UA with significant accuracy.

}, keywords = {Artificial neural network, Myocardial infarction detection, PPG, SDPPG, Unstable angina detection}, issn = {2662-4729}, doi = {10.1007/s13246-023-01293-w}, author = {Neha, H. K. and Sardana, H. K. and Dahiya, N. and Dogra, N. and Kanawade, R. and Sharma, Y. P. and Kumar, S.} } @article {48804, title = {Bacopa monnieri reduces Tau aggregation and Tau-mediated toxicity in cells}, journal = {International Journal of Biological Macromolecules}, volume = {234}, year = {2023}, month = {APR}, pages = {123171}, type = {Article}, abstract = {

Alzheimer{\textquoteright}s disease is a neurodegenerative disease characterized by progressive memory loss and behavioral impairments. In the present study, the ethanolic extract of Bacopa monnieri was studied for its potency to inhibit Tau aggregation and rescuing of the viability of Tau-stressed cells. Bacopa monnieri was observed to inhibit the Tau aggregation in vitro. The cells exposed to Bacopa monnieri were also observed to have a low level of ROS and caspase-3 activity. The immunoblot and immunofluorescence analysis showed that Bacopa monnieri acts as an antioxidant and restored the Nrf2 levels in Neuro2a cells. Bacopa monnieri treatment to Neuro2a cells was observed to reduce the phospho-Tau load in formaldehyde-stressed cells. Furthermore, the treatment of Bacopa monnieri reduced the phosphorylation of GSK-3 beta in formaldehyde-stressed cells. Ran and NUP358 are the key proteins involved in nuclear transport. It was observed that formaldehyde treatment impaired the nuclear transport by missorting the NUP358 arrangement in Neuro2a cells. On the contrary, Bacopa monnieri treatment restored the NUP358 arrangement in cells. The overall results of the present study suggested that Bacopa monnieri could be considered a potent herb against Tau phosphorylation and Tau aggregation, which projects it as a promising formulation for Alzheimer{\textquoteright}s disease.

}, keywords = {Bacopa monnieri, GSK-3 beta, Nrf2, Nuclear transport, NUP358, Tau Aggregation, Tau phosphorylation}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2023.123171}, author = {Dubey, Tushar and Kushwaha, Preeti and Thulasiram, H. V. and Chandrashekar, Madhura and Chinnathambi, Subashchandrabose} } @article {48473, title = {Bacterial communities and diversity of western ghats soil: a study of a biodiversity hotspot}, journal = {Current Microbiology}, volume = {80}, year = {2023}, month = {APR}, pages = {108}, type = {Article}, abstract = {

The Western Ghats is one of India{\textquoteright}s mega-diversity hotspots and an ecologically and geologically important area for the diversity of endemic plants and animals. The present study provides insights into the aerobic bacterial diversity and composition of the soils of North Western Ghats located in Maharashtra state (NWGM), India. The samples for the culture-dependent study were collected from 6 different locations namely Malshej Ghat, Bhimashankar, Lonavala, Mulshi, Tail-Baila, and Mahabaleshwar. A total of 173 isolates were obtained from the different samples, which belonged to Proteobacteria (43\%), Firmicutes (36\%), and Actinobacteria (19\%). Sequences of 15 strains shared \<= 98.7\% similarity (a species cut-off) which represent potential novel species. Metagenomic analysis revealed the presence of Actinobacteria and Proteobacteria as the most dominant phyla at both MB and MG. However, both sites showed variation in the composition of rare phyla and other dominant phyla. This difference in bacterial community composition could be due to differences in altitude or other physicochemical properties. The functional prediction from the amplicon sequencing showed the abundance of carbohydrate, protein, and lipid metabolism which was corroborated by screening the isolated bacterial strains for the same. The present study has a unique take on microbial diversity and defines the importance of community assembly processes such as drift, dispersal, and selection. Such processes are relatively important in controlling community diversity, distribution, as well as succession. This study has shown that the microbial community of NWGM is a rich source of polysaccharide degrading bacteria having biotechnological potential.

}, issn = {0343-8651}, doi = {10.1007/s00284-023-03207-1}, author = {Ghare, Uma and Narvekar, Simran and Lodha, Tushar and Mallebhari, Rubiya and Dastager, Syed and Barvkar, Vitthal T. and Dhotre, Dhiraj and Karmalkar, Nitin R. and Pable, Anupama A.} } @article {48465, title = {Benign strategy toward mesoporous carbon coated Sb nanoparticles: a high-performance Li-ion/Na-ion batteries anode}, journal = {Solid State Ionics}, volume = {396}, year = {2023}, month = {AUG}, pages = {116243}, type = {Article}, abstract = {

Antimony (Sb)-based anodes can offer excellent gravimetric capacity (-660 mAhg(1)) in lithium-ion/sodium-ion batteries (LIBs/SIBs) fabricated using carbonate-based electrolytes complexed with lithium/sodium salt. However, high first-cycle irreversible loss (35-40\%) and gradual capacity fade (25-30\%/cycle) originate from solid electrolyte interphase (SEI), and severe volumetric stress (-300\%) associated with alloyed phase(s) impede reallife applications. Herein, we devise a benign strategy to develop mesoporous carbon coating onto antimony nanoparticles (Sb@C) based core-shell architecture for LIBs/SIBs anode. In particular, -30-50 nm thick mesoporous carbon spheres (-1 +/- 0.5 mu m) were obtained from resorcinol-formaldehyde (RF)-based polycondensation reaction by sol-gel chemistry engulfing Sb nanoparticles by suitably controlling Cetyltrimethylammonium bromide (CTAB)-induced steric stabilization and pH modulation during synthesis. The core-shell Sb@C helps faster Li+/Na+-ion migration preventing the structural collapse of Sb during electrochemical cycling and thereby improving the capacity fade. Electrochemical results demonstrate Sb@C can deliver a specific capacity of -536 mAhg(-1) and - 291 mAhg(-1) at 0.1C current rate in LIBs and SIBs, respectively, up to 200 cycles. Electrochemical impedance spectroscopy (EIS) indicates lower charge transfer (Rct) and SEI resistance (RSEI) of Sb@C cycled electrode than the bare Sb-NPs was the probable reason for improved Li/Na-ion storage in Sb@C anode. A detailed galvanostatic intermittent titration technique (GITT) and internal resistance measurements during 1st and 2nd cycles shed light on distinguishably different Li-ion/Na-ion storage behavior. The bulk Li+/Na+-ion diffusion coefficients found diminishes at reaction voltages (0.9 V/0.6 V for lithiation and 0.6 V/0.4 V for sodiation) corresponding with alloyed phase(s) concurrent with a drop in internal resistance at the quasi-opencircuit voltage (QOCV) during 1st and 2nd discharge cycle. On the contrary, de-alloying phenomena from the fully lithiated/sodiated phase(s) display an entirely opposite trend. The Li+ diffusion coefficient reaches minima at -1.1 V with a sudden jump in the internal resistance at QOCV during 1st and 2nd charge cycle. However, Na+ diffusion coefficient gradually drops along with a steep increase in the internal resistance, indicating partial Naion trapping and irreversible capacity loss.

}, keywords = {anode, Antimony, lithium-ion batteries, mesoporous carbon, Sodium-ion batteries}, issn = {0167-2738}, doi = {10.1016/j.ssi.2023.116243}, author = {Dashairya, Love and Chaturvedi, Vikash and Kumar, Abhishek and Mohanta, Tandra Rani and Shelke, Manjusha and Saha, Partha} } @article {48743, title = {Bimetallic quantum dots (Cu-Pd, Ni-Pd) catalyzed reaction of bromo arenes with alkenes and aryl boronic acids}, journal = {Indian Journal of Chemistry}, volume = {62}, year = {2023}, month = {AUG}, pages = {843-848}, type = {Article}, abstract = {

Bimetallic quantum dots (Cu-Pd and Ni-Pd) are active ligand-free catalysts for the alkenylation and arylation of aryl bromides. The catalysts are easy to synthesize by benign green protocols and characterized by various techniques. The bimetallic QD catalysts synthesized thus are superior to Pd(OAc)2 or other Pd NP catalysis of alkenylation reactions of aryl bromides with similar E-selectivity. The reaction of aryl bromide with aryl boronic acid is facile with high yields.

}, keywords = {Aryl bromides, Bimetallic QDs catalysis, Cu-Pd, Mizoroki-Heck, Ni-Pd, Suzuki coupling}, issn = {0019-5103}, doi = {10.56042/ijc.v62i8.4769}, author = {Raut, Pallavi K. and Meroliya, Heena K. and Dumbre, Swapnil R. and Patil, Vaishali N. and Solanki, Bhanupratap S. and Waghmode, Shobha A. and Iyer, Suresh} } @article {48692, title = {Binder-free and flexible VOPO4/CNT film as cathode for aqueous rechargeable Zn-metal battery}, journal = {Advanced Sustainable Systems}, volume = {7}, year = {2023}, month = {SEP}, type = {Article}, abstract = {

Aqueous rechargeable Zn-metal batteries (AZMBs) are promising energy storage aids due to their inherent safety, low cost, and competent performance, with prospects in stationary and portable applications. In this regard, one of the critical requirements is developing electrodes that can adapt to mechanical deformation without compromising the charge storage performance. The current work demonstrates the development of a binder-free and mechanically flexible composite cathode film (VP/fCNT-F, where {\textquoteleft}F{\textquoteright} stands for the film) based on VOPO4 (VP) and functionalized carbon nanotubes (fCNTs). The VP/fCNT-F film processing involves simple vacuum filtration of the composite obtained from the in-situ reaction of the fCNTs and the VP precursor in an aqueous medium. The functionalization of carbon nanotube (CNT) is important for the homogenous dispersion of VP and fCNT. The VP/fCNT-F electrode is used as a monolithic electrode in AZMB cells in combination with both liquid and quasi-solid-state gel polymer electrolytes. Besides, the utility of the VP/fCNT-F electrode in a flexible battery configuration is also demonstrated. Interestingly, in both the coin-cell and flexible configurations, the VP/fCNT-F electrode delivers a comparable discharge capacity of 90 and 78 mAh g(-1), respectively (at 0.1 A g(-1)), validating the advantage of the binder-free VP/fCNT-F electrode for AZMBs.

}, keywords = {binder-free cathodes, flexible batteries, layered VOPO4, polymer gel electrolytes, self-standing flexible films}, issn = {2366-7486}, doi = {10.1002/adsu.202300141}, author = {Dilwale, Swati and Babu, Athira and Puthiyaveetil, Priyanka Pandinhare and Kurian, Maria and Ghosh, Meena and Kurungot, Sreekumar} } @article {48336, title = {Carbon black and chitin nanofibers for green tyres: preparation and property evaluation}, journal = {Carbohydrate Polymers}, volume = {310}, year = {2023}, month = {JUN}, pages = {120700}, type = {Article}, abstract = {

This research highlights the synergistic use of carbon black (CB) and chitin nanofibers (CHNFs) for developing green tyres for the first time. The CHNFs (12-30 nm) were prepared from chitin powder with the help of steam explosion and mild oxalic acid hydrolysis. The CHNFs were uniformly dispersed in natural rubber (NR) latex, dried, and mixed with CB in a two-roll mill to form NR/CB/CHNF composites. The NR/CB/CHNF composite at 1 phr CHNF loading exhibited tensile and tear strengths that were about 47 and 160 \% greater than the NR-Neat, respectively. The dynamic mechanical analysis showed that the loss tangent (tan delta) at 60 degrees C was 50 \% lower for the NR/CB/CHNF 1.0 composite than for the NR/CB50 composite. The study succeeded in developing a new green tyre tread formulation that would be helpful for attaining sustainability and a circular economy.

}, keywords = {carbon black, Chitin nanofibers, Green Tyre, natural rubber latex}, issn = {0144-8617}, doi = {10.1016/j.carbpol.2023.120700}, author = {Mathew, Mariya and Dominic, C. D. Midhun and Neenu, K. V. and Begum, P. M. Sabura and Dileep, P. and Kumar, T. G. Ajith and Sabu, Akshay Alax and Nagane, Dhiraj and Parameswaranpillai, Jyotishkumar and Badawi, Michael} } @article {49141, title = {Challenges and opportunities for production of C5 sugar fatty acid esters (SFAEs) from renewable resources}, journal = {Industrial Crops and Products}, volume = {193}, year = {2023}, month = {MAR}, pages = {116170}, type = {Article}, abstract = {

Sugar fatty acid esters represent a billion-dollar market with huge global demand. Although glucose and sucrose-based surfactants have prevailed in the chemical industry for decades, C-5-based esters are relatively unknown and have recently started to gain attention owing to their multifunctional properties. These molecules can be derived from cheap and inexpensive biomass/renewable resources and present promising potential with diverse applications as additives in various nutraceutical, pharmaceutical, and cosmeceutical formulations. However, large-scale production of C-5 sugar esters is limited, with one or two commercial plants operating worldwide. This review highlights the major challenges and prospects of biotechnological production of the C-5 sugar esters, considering the possible advancements over existing technology with various aspects of industrial bioprocessing and product recovery.

}, keywords = {Bioprocess, C-5-fatty acid esters, Lipase, solvent, xylitol}, issn = {0926-6690}, doi = {10.1016/j.indcrop.2022.116170}, author = {Tracy, Preetanshika and Dasgupta, Diptarka and More, Snehal} } @article {48309, title = {Cobalt-manganese modified theophrastite phase of nickel hydroxide nanoflower arrays on nickel foam as a self-standing bifunctional electrode for overall water electrolysis}, journal = {Sustainable Energy \& Fuels}, volume = {7}, year = {2023}, month = {MAY}, pages = {2428-2440}, type = {Article}, abstract = {

Designing and developing self-supported electrodes for water electrolysis is attractive as compared to conventional catalyst-coated electrodes. Herein, a (Co0.3Mn0.1Ni0.6)(OH)(2)/NF nanocomposite is prepared by anchoring (Co0.3Mn0.1Ni0.6)(OH)(2)via simple one-pot hydrothermal synthesis on nickel foam. The presence of Mn induces the external electronic structure of Co(OH)(2), and this also improves the electrochemically active surface area (ECSA). These favor better accessibility of active sites and increased intrinsic activity for the OER and HER. (Co0.3Mn0.1Ni0.6)(OH)(2)/NF has shown promising electrochemical activity toward the OER and HER in a 1 M KOH electrolyte, with an overpotential of 270 mV for the OER and 163 mV for the HER to deliver 10 mA cm(-2) current density. The overall water splitting was performed by employing (Co0.3Mn0.1Ni0.6)(OH)(2)/NF as both the cathode and anode by displaying a voltage of 1.62 V at 10 mA cm(-2), which is comparable to that extracted from a similar system based on the state-of-the-art Pt/C@NF cathode and RuO2@NF anode (1.60 V at 10 mA cm(-2)) standard electrode pair. Interestingly, at high current densities, the (Co0.3Mn0.1Ni0.6)(OH)(2)/NF//(Co0.3Mn0.1Ni0.6)(OH)(2)/NF system displayed better overall water splitting performance (1.78 V at 100 mA cm(-2)) compared to its Pt/C@NF//RuO2@NF (1.89 V at 100 mA cm(-2)) counterpart while displaying a stable output during the evolution period that lasted for 24 h. The amounts of H-2 and O-2 produced are estimated to be 701.2 and 358.6 mmol, respectively, at a time interval of 1 h; these amounts correspond to an similar to 1 : 2 ratio of O-2 and H-2, respectively. This study confirms the capability for employing (Co0.3Mn0.1Ni0.6)(OH)(2)/NF as a bi-functional and self-standing electrode for the realistic demonstrations of overall water splitting applications.

}, issn = {2398-4902}, doi = {10.1039/d3se00233k}, author = {Kharabe, Geeta Pandurang and Illathvalappil, Rajith and Barik, Sidharth and Kanheerampockil, Fayis and Walko, Priyanka S. and Bhat, Suresh K. and Devi, R. Nandini and Kurungot, Sreekumar} } @article {48793, title = {Cocrystal approach to modulate the photoluminescent properties of a GFP chromophore analogue: role of halogen/hydrogen bonding in achieving a wide range of solid-state fluorescence emissions}, journal = {Crystal Growth \& Design}, volume = {23}, year = {2023}, month = {JUN }, pages = {5052-5065}, type = {Article}, abstract = {

Fine-tuning the photophysical properties of fluorescentorganicsolids is essential to attain multicolor displays and meet the demandfor futuristic light-emitting materials. Here, we report the tunableluminescence of a green fluorescent protein (GFP) chromophore analogue,3,4,5-TIA (A), based on the formation of two-component molecular cocrystalswith six different coformers. Coformers selected to synthesize thebinary cocrystals include 1,4-diiodotetrafluorobenzene (B), perfluoronaphthalene(C), 1,4-dibromotetrafluorobenzene (D), 2,3,5,6-tetrafluoroterephthalicacid (E), benzene-1,2,4,5-tetracarbonitrile (F), and benzene-1,2,4,5-tetracarboxylicacid (G). Interestingly, the cocrystals A center dot C and A center dot Fshowed molecular crystal polymorphism with a slight variation in fluorescence,revealing an aggregation-induced emission (AIE). A crystal structureanalysis showed the interplay of hydrogen bonding, halogen bonding,and aromatic pi-stacking interactions in associating neutralsolid components in the cocrystal. All of the novel cocrystals displayeda wide range of photoluminescence ranging from blue to dark orange.The time-dependent density functional theory (TD-DFT) calculationsindicate the changes in the energy level structures (HOMO to LUMO)in cocrystals that resulted in variations in fluorescence emission.The study aims to further understand the structure-propertyrelationship between molecular arrangement and photoluminescence. Cocrystals of a GFPc analogue with differentcoformers displayeda wide range of fluorescence emissions ranging from blue to dark orangewith varying quantum yields. With similar geometries of pi-stackinginteractions, hydrogen and halogen bonding have played a vital rolein fine-tuning the photoluminescence; halogen bonding leads to a blueshift, and hydrogen bonding results in a red shift.

}, issn = {1528-7483}, doi = {10.1021/acs.cgd.3c00307}, author = {Mali, Bhupendra P. and Dash, Soumya Ranjan and Annadhasan, Mari and Biswas, Anupam and Manoj, Kochunnoonny and Vanka, Kumar and Gonnade, Rajesh G.} } @article {48795, title = {COF-supported zirconium oxyhydroxide as a versatile heterogeneous catalyst for Knoevenagel condensation and nerve agent hydrolysis}, journal = {iScience}, volume = {26}, year = {2023}, month = {NOV}, pages = {108088}, type = {Article}, abstract = {

A composite of catalytic Lewis acidic zirconium oxyhydroxides (8 wt \%) and a covalent organic framework (COF) was synthesized. X-ray diffraction and infrared (IR) spectroscopy reveal that COF{\textquoteright}s structure is pre-served after loading with zirconium oxyhydroxides. Electron microscopy confirms a homogeneous distri-bution of nano-to sub-micron-sized zirconium clusters in the COF. 3D X-ray tomography captures the micron-sized channels connecting the well-dispersed zirconium clusters on the COF. The crystalline ZrOx(OH)(y)@COF{\textquoteright}s nanostructure was model-optimized via simulated annealing methods. Using 0.8 mol \% of the catalyst yielded a turnover number of 100-120 and a turnover frequency of 160-360 h(-1) for Knoevenagel condensation in aqueous medium. Additionally, 2.2 mol \% of catalyst catalyzes the hy-drolysis of dimethyl nitrophenyl phosphate, a simulant of nerve agent Soman, with a conversion rate of 37\% in 180 min. The hydrolytic detoxification of the live agent Soman is also achieved. Our study unveils COF-stabilized ZrOx(OH)(y) as a new class of zirconium-based Lewis + Bronsted-acid catalysts.

}, doi = {10.1016/j.isci.2023.108088}, author = {Shekhar, Pragalbh and Devulapalli, Venkata Swaroopa Datta and Reji, Reshma and Singh, Himan Dev and Jose, Aleena and Singh, Piyush and Torris, Arun and Vinod, Chatakudath P. and Tokarz III, John A. and Mahle, John J. and Peterson, Gregory W. and Borguet, Eric and Vaidhyanathan, Ramanathan} } @article {48489, title = {Comparative evaluation of advanced oxidation processes (AOPs) for reducing SARS-CoV-2 viral load from campus sewage water}, journal = {Journal of Environmental Chemical Engineering}, volume = {11}, year = {2023}, month = {JUN}, pages = {109673}, type = {Article}, abstract = {

Presence of SARS-CoV-2 in wastewater is a major concern as the wastewater meets rivers and other water bodies and is used by the population for various purposes. Hence it is very important to treat sewage water in an efficient manner in order to reduce the public health risk. In the present work, various advanced oxidation processes (AOPs) have been evaluated for disinfection of SARS-CoV-2 from sewage water collected from STP inlet of academic institutional residential. The sewage water was subjected to ten AOPs, which include Ozone (O3), Hydrodynamic cavitation (HC), Ultraviolet radiation (UV), and their hybrid combinations like HC/O3, HC/O3/ H2O2, HC/H2O2, O3/UV, UV/H2O2, UV/H2O2/O3, and O3/H2O2 to reduce SARS-CoV-2 viral load. Further, AOP treated sewage water was subjected to total nucleic acid isolation followed by RT-qPCR for viral load estimation. The sewage water treatment techniques were evaluated based on their viral concentration-reducing efficiency. It was found that ozone and ozone-coupled hybrid AOPs showed the most promising result with more than 98 \% SARS-CoV-2 viral load reducing efficiency from sewage water. Interestingly, the best six AOPs used in this study significantly reduced both the SARS-CoV-2 and PMMoV (faecal indicator) viral load and improved water quality in terms of increasing DO and decreasing TOC.

}, keywords = {AOPs and hybrid AOPs, Hydrodynamic cavitation, Ozonation, PMMoV, SARS-CoV-2, Sewage water treatment}, issn = {2213-2929}, doi = {10.1016/j.jece.2023.109673}, author = {Pramanik, Rinka and Bodawar, Narendra and Brahme, Aashay and Kamble, Sanjay and Dharne, Mahesh} } @article {48480, title = {Comprehensive analysis of physiological and metabolomic responses to drought reveals specific modulation of acquired tolerance mechanisms in rice}, journal = {Physiologia Plantarum}, volume = {175}, year = {2023}, month = {MAY}, pages = {e13917}, type = {Article}, abstract = {

Mild stresses induce {\textquoteleft}{\textquoteleft}acquired tolerance traits{\textquoteright}{\textquoteright} (ATTs) that provide tolerance when stress becomes severe. Here, we identified the genetic variability in ATTs among a panel of rice germplasm accessions and demonstrated their relevance in protecting growth and productivity under water-limited conditions. Diverse approaches, including physiological screens, association mapping and metabolomics, were adopted and revealed 43 significant marker-trait associations. Nontargeted metabolomic profiling of contrasting genotypes revealed 26 {\textquoteleft}{\textquoteleft}tolerance-related-induced{\textquoteright}{\textquoteright} primary and secondary metabolites in the tolerant genotypes (AC-39000 and AC-39020) compared to the susceptible one (BPT-5204) under water-limited condition. Metabolites that help maintain cellular functions, especially Calvin cycle processes, significantly accumulated more in tolerant genotypes, which resulted in superior photosynthetic capacity and hence water use efficiency. Upregulation of the glutathione cycle intermediates explains the ROS homeostasis among the tolerant genotypes, maintaining spikelet fertility, and grain yield under stress. Bioinformatic dissection of a major effect quantitative trait locus on chromosome 8 revealed genes controlling metabolic pathways leading to the production of osmolites and antioxidants, such as GABA and raffinose. The study also led to the identification of specific trait donor genotypes that can be effectively used in translational crop improvement activities.

}, issn = {0031-9317}, doi = {10.1111/ppl.13917}, author = {Doddaraju, Pushpa and Dharmappa, Prathibha M. and Thiagarayaselvam, Aarthy and Vijayaraghavareddy, Preethi and Bheemanahalli, Raju and Basavaraddi, Priyanka A. and Malagondanahalli, Mohan Kumar V. and Kambalimath, Sumanth and Thulasiram, Hirekodathakallu V. and Sreeman, Sheshshayee M.} } @article {48319, title = {Comprehensive molecular and clinical investigation of approved Anti-HCV drugs repurposing against SARS-CoV-2 infection: a glaring gap between benchside and bedside medicine}, journal = {Vaccines}, volume = {11}, year = {2023}, month = {MAR}, pages = {515}, type = {Article}, abstract = {

The limited availability of effective treatment against SARS-CoV-2 infection is a major challenge in managing COVID-19. This scenario has augmented the need for repurposing anti-virals for COVID-19 mitigation. In this report, the anti-SARS-CoV-2 potential of anti-HCV drugs such as daclatasvir (DCV) or ledipasvir (LDP) in combination with sofosbuvir (SOF) was evaluated. The binding mode and higher affinity of these molecules with RNA-dependent-RNA-polymerase of SARS-CoV-2 were apparent by computational analysis. In vitro anti-SARS-CoV-2 activity depicted that SOF/DCV and SOF/LDP combination has IC50 of 1.8 and 2.0 mu M, respectively, comparable to remdesivir, an approved drug for COVID-19. Furthermore, the clinical trial was conducted in 183 mild COVID-19 patients for 14 days to check the efficacy and safety of SOF/DCV and SOF/LDP compared to standard of care (SOC) in a parallel-group, hybrid, individually randomized, controlled clinical study. The primary outcomes of the study suggested no significant difference in negativity after 3, 7 and 14 days in both treatments. None of the patients displayed any worsening in the disease severity, and no mortality was observed in the study. Although, the post hoc exploratory analysis indicated significant normalization of the pulse rate showed in SOF/DCV and SOF/LDP treatment vs. SOC. The current study highlights the limitations of bench side models in predicting the clinical efficacy of drugs that are planned for repurposing.

}, keywords = {antiviral, COVID-19, daclatasvir, ledipasvir, SARS-CoV-2, sofosbuvir}, doi = {10.3390/vaccines11030515}, author = {Bansode, Sneha and Singh, Pawan Kumar and Tellis, Meenakshi and Chugh, Anita and Deshmukh, Narendra and Gupta, Mahesh and Verma, Savita and Giri, Ashok and Kulkarni, Mahesh and Joshi, Rakesh and Chaudhary, Dhruva} } @article {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 {48264, title = {Construction of the quinobenzoxazine core via gold-catalyzed dual annulation of azide-tethered alkynones with anthranils}, journal = {Organic \& Biomolecular Chemistry}, volume = {21}, year = {2023}, month = {MAR }, pages = {2127-2137}, type = {Article}, abstract = {

A new catalytic method for the construction of the quinobenzoxazine core has been developed employing the gold-catalyzed cyclization of o-azidoacetylenic ketones in the presence of anthranils. The overall process comprises of a gold-catalyzed 6-endo-dig cyclisation of o-azidoacetylenic ketone leading to a alpha-imino gold carbene and subsequent carbene transfer to anthranil leading to the 3-aryl-imino-quinoline-4-one intermediate, which undergoes 6 pi-electrocyclization and aromatization to form the central quinobenzoxazine core. This transformation provides a new approach to a diverse array of quinobenzoxazine structures, in addition to being scalable and having mild reaction conditions.

}, issn = {1477-0520}, doi = {10.1039/d3ob00098b}, author = {Halnor, Swapnil V. V. and Dhote, Pawan S. S. and Ramana, Chepuri V. V.} } @article {48745, title = {Covalent organic framework cladding on peptide-amphiphile-based biomimetic catalysts}, journal = {Journal of the American Chemical Society}, volume = {145}, year = {2023}, month = {JUN }, pages = {12793-12801}, type = {Article}, abstract = {

Peptide-based biomimetic catalysts are promising materialsforefficient catalytic activity in various biochemical transformations.However, their lack of operational stability and fragile nature innon-aqueous media limit their practical applications. In this study,we have developed a cladding technique to stabilize biomimetic catalystswithin porous covalent organic framework (COF) scaffolds. This methodologyallows for the homogeneous distribution of peptide nanotubes insidethe COF (TpAzo and TpDPP) backbone, creating strong noncovalent interactionsthat prevent leaching. We synthesized two different peptide-amphiphiles,C10FFVK and C10FFVR, with lysine (K) and arginine(R) at the C-termini, respectively, which formed nanotubular morphologies.The C10FFVK peptide-amphiphile nanotubes exhibit enzyme-likebehavior and efficiently catalyze C-C bond cleavage in a buffermedium (pH 7.5). We produced nanotubular structures of TpAzo-C10FFVK and TpDPP-C10FFVK through COF claddingby using interfacial crystallization (IC). The peptide nanotubes encasedin the COF catalyze C-C bond cleavage in a buffer medium aswell as in different organic solvents (such as acetonitrile, acetone,and dichloromethane). The TpAzo-C10FFVK catalyst,being heterogeneous, is easily recoverable, enabling the reactionto be performed for multiple cycles. Additionally, the synthesis ofTpAzo-C10FFVK thin films facilitates catalysis inflow. As control, we synthesized another peptide-amphiphile, C10FFVR, which also forms tubular assemblies. By depositingTpAzo COF crystallites on C10FFVR nanotubes through IC,we produced TpAzo-C10FFVR nanotubular structuresthat expectedly did not show catalysis, suggesting the critical roleof the lysines in the TpAzo-C10FFVK.

}, issn = {0002-7863}, doi = {10.1021/jacs.3c03562}, author = {Kumar Mahato, Ashok and Pal, Sumit and Dey, Kaushik and Reja, Antara and Paul, Satyadip and Shelke, Ankita and Ajithkumar, Thalasseril G. and Das, Dibyendu and Banerjee, Rahul} } @article {48833, title = {Covalent organic framework thin-film photodetectors from solution-processable porous nanospheres}, journal = {Journal of the American Chemical Society}, volume = {145}, year = {2023}, month = {JAN}, pages = {1649-1659}, type = {Article}, abstract = {

The synthesis of homogeneous covalent organic framework (COF) thin films on a desired substrate with decent crystallinity, porosity, and uniform thickness has great potential for optoelectronic applications. We have used a solution-processable sphere transmutation process to synthesize 300 +/- 20 nm uniform COF thin films on a 2 x 2 cm2 TiO2-coated fluorine-doped tin oxide (FTO) surface. This process controls the nucleation of COF crystallites and molecular morphology that helps the nanospheres to arrange periodically to form homogeneous COF thin films. We have synthesized four COF thin films (TpDPP, TpEtBt, TpTab, and TpTta) with different functional backbones. In a close agreement between the experiment and density functional theory, the TpEtBr COF film showed the lowest optical band gap (2.26 eV) and highest excited-state lifetime (8.52 ns) among all four COF films. Hence, the TpEtBr COF film can participate in efficient charge generation and separation. We constructed optoelectronic devices having a glass/FTO/TiO2/COF-film/Au architecture, which serves as a model system to study the optoelectronic charge transport properties of COF thin films under dark and illuminated conditions. Visible light with a calibrated intensity of 100 mW cm-2 was used for the excitation of COF thin films. All of the COF thin films exhibit significant photocurrent after illumination with visible light in comparison to the dark. Hence, all of the COF films behave as good photoactive substrates with minimal pinhole defects. The fabricated out-of-plane photodetector device based on the TpEtBr COF thin film exhibits high photocurrent density (2.65 +/- 0.24 mA cm-2 at 0.5 V) and hole mobility (8.15 +/- 0.64 x10-3 cm2 V-1 S-1) compared to other as synthesized films, indicating the best photoactive characteristics.

}, issn = {0002-7863}, doi = {10.1021/jacs.2c09838}, author = {Bag, Saikat and Sasmal, Himadri Sekhar and Chaudhary, Sonu Pratap and Dey, Kaushik and Blaette, Dominic and Guntermann, Roman and Zhang, Yingying and Poloz, Miroslav and Kuc, Agnieszka and Shelke, Ankita and Vijayaraghavan, Ratheesh K. and Ajithkumar, Thalasseril G. and Bhattacharyya, Sayan and Heine, Thomas and Bein, Thomas and Banerjee, Rahul} } @article {48261, title = {Covalently interconnected layers in g-C3N4: toward high mechanical stability, catalytic efficiency and sustainability}, journal = {Applied Catalysis B: Environmental}, volume = {322}, year = {2023}, month = {MAR}, pages = {122069}, type = {Article}, abstract = {

The grim prospects for the industrial utilization of g-C3N4 nanosheets arise from multi-step processing resulting in low material yields and poor visible light response due to quantum confinement. Herein, we introduce a strategy for linking the adjacent layers of g-C3N4 covalently to realize a high surface area without excess mass loss in a one-step process by introducing diethylene glycol as a precursor that produces-(CH2)2-O-(CH2)2-linkers in-situ. Their presence increases interlayer spacing and introduces surface curvatures, discouraging the stacking of a larger number of layers to produce nanosheets with-3 times higher surface area. Interestingly, unlike other layered materials, the linkers also provide extraordinary mechanical stability against exfoliating forces. In addition, the process instills sub-bandgap states and a considerable visible light response at 500 nm to slow down the picosecond exciton recombination dynamics, resulting in-5 times enhancement in H2 generation efficiency from photocatalytic water-splitting over the bulk sample.

}, keywords = {Layer-linkers, Sustainable synthesis, Transient absorption spectroscopy, water-splitting}, issn = {0926-3373}, doi = {10.1016/j.apcatb.2022.122069}, author = {Roy, Raj Sekhar and Mondal, Sanjit and Mishra, Samita and Banoo, Maqsuma and Sahoo, Lipipuspa and Kumar, Amit and Vinod, C. P. and De, Arijit K. and Gautam, Ujjal K.} } @article {48823, title = {Design and development of multi-functional graphitic carbon nitride heterostructures embedded with copper and iron oxide nanoparticles as versatile sensing platforms for environmental and agricultural applications}, journal = {Ceramics International}, volume = {49}, year = {2023}, month = {JUN}, pages = {20688-20698}, type = {Article}, abstract = {

In the recent past, agrotechnology has witnessed a tremendous change due to the advent of technologies employed towards enhancing the yield and quality of the crops. The application of nanotechnology in agriculture is promoting sustainable practices and smart farming. Currently, nanomaterial-based sensors are gaining considerable attention in agrotechnology, such sensors can detect the environmental conditions and support for crop growth and enhances the agricultural yield. Graphiticcarbon nitride (g-C3N4), a soft polymer belongs to a class of 2-D semiconductors which are affordable, metal-free, indispensable for sensing applications due to significant changes in their conductivity upon exposure to analyte molecules in nano-regime. Further, this g-C3N4 can be combined with other nano metal oxides to form nanocomposites with remarkable properties and superior performance. In this work we report development of high-performance sensors based on graphitic carbon nitride embedded with copper and iron oxide nanoparticles. These heterostructures offers tremendous improvement in the physical and chemical properties due to the synergetic interactions between various phases. The chemiresistive sensor fabricated from these nanocomposites exhibit excellent sensitivity towards monitoring methane gas @ ppb level, relative humidity (\% RH), and soil moisture content. Owing to their excellent sensitivity, stability and selectivity, this graphitic carbon nitride embedded with Cu and Fe oxide nanoparticles could be potentially used as multifunctional sensors towards environmental monitoring and greenhouse conditions in agricultural applications.

}, keywords = {Agricultural sensors, CuO nanoparticles, Environmental monitoring, FeO nanoparticles, Graphitic carbon nitride}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2023.03.200}, author = {Khasim, Syed and Pasha, Apsar and Dastager, Syed G. and Panneerselvam, Chellasamy and Hamdalla, Taymour A. and Al-Ghamdi, S. A. and Alfadhli, S. and Makandar, Mohammad Basha and Albalawi, Jalal Bassam and Darwish, A. A. A.} } @article {48288, title = {Designing an industrially viable bimetallic catalyst for the polyol synthesis}, journal = {New Journal of Chemistry}, volume = {47}, year = {2023}, month = {APR}, pages = {7548-7555}, type = {Article}, abstract = {

Designing new catalysts for the hydrogenation of sugars is important since the conventional catalyst RANEY (R) Ni faces issues such as leaching, operation under severe conditions (similar to 100 bar H-2) to achieve better yields and formation of complexes of Ni with polyols. To overcome these issues and to have an industrially acceptable methodology, bimetallic catalysts with varying metal loadings (Ru = 1.5 and 2 wt\% and Co = 1.5, 3, and 4 wt\%) were synthesized in the current work and their hydrogenation activities were evaluated for the synthesis of sugar alcohols from various sugars. It was revealed that the nature of the support plays an important role in deciding the selectivity and activity of the catalyst and amongst all the supports, basic alumina showed the best activity due to its contribution to the ring opening of sugars. C5 and C6 sugars were successfully hydrogenated to their respective sugar alcohols under low H-2 pressures (15 bar) and it was observed that as compared to the monometallic (1.5)Ru/Al-Basic catalyst, the bimetallic (1.5)Ru(3)Co/Al-Basic catalyst showed enhancement in the activity by almost 1.5 times. The improvement in the activity is suggested to be due to (i) observance of the synergistic effect between the base metal (Ru) and the promoter metal (Co); (ii) effect of basicity of the support; and (iii) electronic effect of Ru and Co. Recyclability of the catalysts and their efficiency to hydrogenate higher concentration substrate solutions (10-20 wt\%) make the overall process industrially attractive.

}, issn = {1144-0546}, doi = {10.1039/d3nj00044c}, author = {Kadam, Jyoti R. and Khan, Tufeil Sartaj and Dhepe, Paresh L.} } @article {48951, title = {Distortion-induced interfacial charge transfer at single cobalt atom secured on ordered intermetallic surface enhances pure oxygen production}, journal = {ACS Nano}, volume = {17}, year = {2023}, month = {NOV }, pages = {23169-23180}, type = {Journal Article}, abstract = {

In this work, atomic cobalt (Co) incorporation into the Pd2Ge intermetallic lattice facilitates operando generation of a thin layer of CoO over Co-substituted Pd2Ge, with Co in the CoO surface layer functioning as single metal sites. Hence the catalyst has been titled Co-1-CoO-Pd2Ge. High-resolution transmission electron microscopy, X-ray photoelectron spectroscopy, and X-ray absorption spectroscopy confirm the existence of CoO, with some of the Co bonded to Ge by substitution of Pd sites in the Pd2Ge lattice. The role of the CoO layer in the oxygen evolution reaction (OER) has been verified by its selective removal using argon sputtering and conducting the OER on the etched catalyst. In situ X-ray absorption near-edge structure and extended X-ray absorption fine structure spectroscopy demonstrate that CoO gets transformed to CoOOH (Co3+) in operando condition with faster charge transfer through Pd atoms in the core Pd2Ge lattice. In situ Raman spectroscopy depicts the emergence of a CoOOH phase on applying potential and shows that the phase is stable with increasing potential and time without getting converted to CoO2. Density functional theory calculations indicate that the Pd2Ge lattice induces distortion in the CoO phase and generates unpaired spins in a nonmagnetic CoOOH system resulting in an increase in the OER activity and durability. The existence of spin density even after electrocatalysis is verified from electron paramagnetic resonance spectroscopy. We have thus successfully synthesized intermetallic supported CoO during synthesis and rigorously verified the role played by an intermetallic Pd2Ge core in enhancing charge transfer, generating spin density, improving electrochemical durability, and imparting mechanical stability to a thin CoOOH overlayer. Differential electrochemical mass spectrometry has been explored to visualize the instantaneous generation of oxygen gas during the onset of the reaction.

}, keywords = {DEMS, interfacial charge transfer, Intermetallic, long-termstability, operando spectroscopic techniques, Oxygen Evolution Reaction, structuraldistortion}, issn = {1936-0851}, doi = {10.1021/acsnano.3c09680}, author = {Mondal, Soumi and Riyaz, Mohd and Bagchi, Debabrata and Dutta, Nilutpal and Singh, Ashutosh Kumar and Vinod, Chathakudath P. and Peter, Sebastian C.} } @article {48267, title = {Dual activity cavitation reactors for increased efficacy in degradation of refractory pollutants-A case study on cephalexin degradation}, journal = {Chemical Engineering Research \& Design}, volume = {192}, year = {2023}, month = {APR}, pages = {310-322}, type = {Article}, abstract = {

The present work discloses a new form of cavitation processes using reactors of dual activity for increased efficiency. A proof of concept is established for the degradation of a refractory pollutant-cephalexin using both conventional and dual function cavitation reactors for the first time using acoustic and hydrodynamic cavitation (HC). A vortex diode as a cavitating device was employed for HC using aluminium as a non-catalytic and copper as dual function device for providing additional catalytic effect. The process in-tensification using hydrogen peroxide (H2O2) coupled with the dual function devices was highly effective. A negligible degradation with only HC and 81\% for HC coupled with H2O2 in 60 min for Al-vortex diode compared to 100\% degradation in only 5 min for the copper device clearly demonstrates the order of magnitude enhancements establishing dual function due to catalytic activity. Also, pH modification (pH 11) yields enhancement over 300\% for Cu-vortex diode. The use of dual function reactors drastically reduces H2O2 do-sage. The overall enhancements in the per pass degradation and cavitation yields were huge, similar to 3000\% and 1450\% respectively, highlighting the potential of the dual function ca-vitation reactors in real-life applications, not just for increased efficiencies but also for significantly reduced costs.(c) 2023 Institution of Chemical Engineers. Published by Elsevier Ltd. All rights reserved.

}, keywords = {Advanced oxidation, Degradation, pollution, Technology, Wastewater treatment}, issn = {0263-8762}, doi = {10.1016/j.cherd.2023.02.037}, author = {Dixit, Divya and Thanekar, Pooja and Bhandari, Vinay M.} } @article {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 {48787, title = {Dual-mode porous and highly graphitized 3D nitrogen-doped carbon network as an advance anode material for sodium-ion batteries}, journal = {Journal of Physical Chemistry C}, volume = {127}, year = {2023}, month = {JUL}, pages = {14053-14064}, type = {Article}, abstract = {

The practical application of hard carbons as the mostappealinganode material for sodium-ion batteries is hampered by their poorcycling and rate performances, emanating from poor electrochemicalstability, low electroconductivity, and sluggish Na+ transport.Designing a single remedial method for these challenges often involvescomplex and energy-intensive processes, contradicting the core conceptof cost-effectiveness for practical energy storage technology. Herein,we employed trifunctional silica (SiO2): as colloidal silicato ice template micron-sized pores, as a hard template for nanopores,and as a catalyst for the graphitization of carbon for the synthesisof a highly graphitized, efficiently nitrogen-doped, high-surface-area,three-dimensional porous carbon network (3D PNC) with dual-mode porosity(nanopores and micron-sized pores). As an anode material, the obtained3D PNC exhibits a reversible capacity of 262 mAh g(-1) at a current density of 100 mA g(-1), an ultrahighrate capability of 173 mAh g(-1) at 1 A g(-1), and a stable cycling life of 1000 cycles at a high current densityof 100 mA g(-1) with almost 100\% capacity retention.The galvanostatic intermittent titration technique (GITT) revealsfacile sodium diffusion kinetics with an average diffusion coefficientof an order of \& SIM;10(-9) (cm(2) s(-1)), which is fairly low compared to most reported HCanodes for SIBs. This work demonstrates how a merger of two or moresynthesis methodologies can be employed for the advanced microstructureengineering of carbon materials, opening up new avenues for the rationaldesign of anode materials in SIBs.

}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.3c01773}, author = {Dar, Mudasir and Suresh, Karthika and Majid, Kowsar and Wahid, Malik} } @article {48688, title = {Effective valorization of blackstrap molasses to poly gamma glutamic acid (γ-PGA) using L-glutamic acid independent feeding approach and its significance as drought mitigator in wheat plant}, journal = {Industrial Crops and Products}, volume = {202}, year = {2023}, month = {OCT}, pages = {116985}, type = {Article}, abstract = {

One of the finest approaches towards sustainable waste management is its effective valorization to value-added products (VAPs). Waste valorization is garnering considerable attention since it delivers substantial advantages, including environmental stability and a sustainable and viable platform for producing different VAPs. One such VAP is the poly gamma glutamic acid (\& gamma;- PGA), an extortionate biopolymer known to date. Its exorbitant cost is the main barrier preventing \& gamma;- PGA from becoming commercially viable. Hence, the key to the successful commercialization of \& gamma;- PGA is its sustainable and cost-effective production. In the present study, the ability of Bacillus paralicheniformis NCIM 5769 to utilize molasses for \& gamma;-PGA production with minimal nutrients was investigated. Results showed that 30\% molasses combined with 2\% ammonium nitrate was the optimal medium for \& gamma;-PGA production. Additionally, the anti-drought activity of the synthesized \& gamma;-PGA was evaluated on wheat plants showing significantly higher shoot length, biomass content, and germination rate compared to the control group. These findings suggest that \& gamma;-PGA produced from molasses has the potential to be used as a drought mitigator in wheat plant, thereby achieving the mission of circular economy and sustainable development goal (SGD) 12, i.e. pursuing sustainability patterns for consumption \& production.

}, keywords = {Anti-drought, circular economy, Poly gamma glutamic acid, Sustainable, Waste valorization}, issn = {0926-6690}, doi = {10.1016/j.indcrop.2023.116985}, author = {Nair, Pranav G. and Dharne, Mahesh S.} } @article {48294, title = {Efficient and convenient heterogeneous Cu/MCM-41 catalyst for the synthesis of 7,10,11,12-tetrahydrobenzo[c]acridin-8(9H)-one derivatives}, journal = {Research on Chemical Intermediates}, volume = {49}, year = {2023}, month = {APR}, pages = {1581-1600}, type = {Article}, abstract = {

An efficient and convenient method for synthesis of 7,10,11,12-tetrahydrobenzo[c]acridin-8(9H)-one derivatives using Cu/MCM-41 (20 mg) as heterogeneous catalyst. The advantages have an excellent product yield within a short time and easy work-up procedure, and the products have directly recrystallized from hot methanol with cost-effective catalyst. One-pot three-component reaction from aromatic aldehydes, cyclic 1,3-dicarbonyl compounds, and 1-naphthyl amine has been carried under ethanol as a solvent with reflux condition. Moreover, the catalyst can be recovered conveniently and reused efficiently, and recyclable. [GRAPHICS] .

}, keywords = {Benzo[c]acridine, dimedone, Heterogeneous Cu/MCM-41 catalyst, Multicomponent one-pot reaction}, issn = {0922-6168}, doi = {10.1007/s11164-023-04962-3}, author = {Dhengale, Shankar D. and Bhosale, Tanaji R. and Shinde, Sachin B. and Rode, Chandrashekhar V. and Kolekar, Govind B. and Anbhule, Prashant V.} } @article {48949, title = {Electrocatalytic hydrogen evolution mediated by an organotelluroxane macrocycle stabilized through secondary interactions}, journal = {Dalton Transaction }, volume = {52}, year = {2023}, month = {NOV }, pages = {17242-17248}, type = {Journal Article}, abstract = {

A discrete liphophilic organotelluroxane macrocycle has been found to catalyse the hydrogen evolution reaction (HER) by proton reduction efficiently. The macrocycle is synthesized via chloride abstraction from bis(p-methoxyphenyl) tellurium dichloride (p-MeOC6H5)2TeCl2 (1) by silver salts AgMX4 (MX4 = BF4-, and ClO4-) resulting in in situ generated di-cationic tetraorganoditelluroxane units; two such units are held together by two weak anions mu 2-MX4, bridging to form 12-membered di-cationic macrocycles [((p-MeO-C6H4)2Te)2(mu-O)(mu 2-F2BF2)2]2+ (2) and [((p-MeO-C6H4)2Te)2(mu-O)(mu 2-O2ClO2)2]2+ (3) stabilized via Te-(mu 2-BF4/ClO4), with secondary interactions. The charge is balanced by the presence of two more anions, one above and another below the plane of the macrocycle. Similar reaction at higher temperatures leads to the formation of telluronium salts R3TeX [X = BF4- (4), ClO4- (5)] as a major product. The BF4- anion containing macrocycle and telluronium salt were monitored using 19F NMR. HRMS confirmed the structural stability of all the compounds in the solution state. The organotelluroxane macrocycle 2 has been found to act as an efficient electrocatalyst for proton reduction in an organic medium in the presence of p-toluene sulfonic acid as a protic source. A discrete liphophilic organotelluroxane macrocycle has been found to catalyse hydrogen evolution reaction (HER) by proton reduction efficiently.

}, keywords = {Anion Transport, Proton-Reduction}, issn = {1477-9226}, doi = {10.1039/d3dt02746e}, author = {Narsimhulu, Gujju and Samuel, Calvin and Palani, Sathishkumar and Dasari, Sai Hemant Kumar and Krishnamoorthy, Kothandam and Baskar, Viswanathan} } @article {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 {48913, title = {Enhanced degradation of metformin using surface-coated vortex diodes}, journal = {Chemical engineering and processing-process intensification }, volume = {193}, year = {2023}, month = {NOV}, type = {Article}, abstract = {

The present work successfully demonstrates, for the first time, complete degradation of metformin using newer surface-coated vortex diode (SCVD) with copper and nickel coating to provide catalytic activity in the conventional hydrodynamic cavitation (HC) for significantly enhanced degradation efficiency. The SCVDs have dual functionality and the efficacy of catalytic cavitation reactors get enhanced using process intensifications of the type H2O2 addition, pH modification, and combined approach of HC+ pH+ H2O2 apart from the advantage of low pressure drop for the vortex flow based cavitation in vortex diode (Delta P of 1 bar). Complete, 100\%, degradation of metformin (MTF) was achieved within 5 min with integration of optimized H2O2 dose and exceptionally high synergistic index value over 300, indicating extraordinary synergy for both Cu and Ni-SCVD. Acidic condition promote degradation and a complete degradation with a high 43-48\% mineralization was observed using HC+ pH 4+ (1:200) H2O2 with less intermediates formation. The SCVDs reveal remarkable enhancement of similar to 9800\% in per-pass degradation and 1400-3400\% in cavitational yield as compared to conventional cavitation process under similar conditions. The newer SCVDs with catalytic activity can provide more cost-effective solutions for industrial and real-life applications.

}, keywords = {Cavitation, Oxidation, pollution, Technology, Wastewater treatment}, issn = {0255-2701}, doi = {10.1016/j.cep.2023.109572}, author = {Dixit, Divya and Thanekar, Pooja and Bhandari, Vinay M.} } @article {48755, title = {Enhancing diradical character of chichibabin{\textquoteright}s hydrocarbon through fluoride substitution}, journal = {ChemPlusChem}, volume = {88}, year = {2023}, month = {AUG}, pages = {e202300273}, type = {Article}, abstract = {

In this work, 5-SIDipp [SIDipp=1,3-bis(2,6-diisopropylphenyl)-imidazolin-2-ylidene] (1) derived Chichibabin{\textquoteright}s hydrocarbon with an octafluorobiphenylene spacer (3) has been reported. The addition of two equivalents of 5-SIDipp with decafluorobiphenyl in presence of BF3 gives the double C-F bond activated imidazolium salt with two tetrafluoroborate anions, 2. Further reduction of 2 gives the fluorine substituted 5-SIDipp based Chichibabin{\textquoteright}s hydrocarbon, 3. Quantum chemical calculations suggested a singlet state of 3 with a singlet-triplet energy gap (?ES-T) of 3.7 kcal mol(-1), which is substantially lower with respect to the hydrogen substituted NHC-based Chichibabin{\textquoteright}s hydrocarbons (10.7 kcal mol(-1), B3LYP). As a result, the diradical character (y) of 3 (y=0.62) is also noticeably higher than the hydrogen substituted CHs (y=0.41-0.43). The ?ES-T was found to be higher in CASSCF (22.24 kcal mol(-1)) and CASPT2 (11.17 kcal mol(-1)) for 3 and the diradical character (d) is 44.6 \%.

}, keywords = {C-F Bond Activation, Chichibabin \& PRIME, DFT, N-Heterocyclic carbene, s Hydrocarbon}, issn = {2192-6506}, doi = {10.1002/cplu.202300273}, author = {Kundu, Gargi and Dash, Soumya Ranjan and Kumar, Ravi and Vanka, Kumar and Ghosh, Aryya and Sen, Sakya S.} } @article {48988, title = {Evaluation of Fe3O4 incorporated functionalized carbon nanotube self-standing buckypaper as electrodes for solid-state symmetric supercapacitor}, journal = {Journal of Energy Storage }, volume = {73}, year = {2023}, month = {DEC }, pages = {109-101}, type = {Article}, abstract = {

Iron (II, III) oxide and carbonaceous materials drawn considerable attention in energy storage owing to their special features. In this study, simple reverse co-precipitation, acid functionalization and vacuum filtration methods adopted to synthesis Fe3O4 nanoparticles of size 11 nm and -COOH acid functionalized multi-wall carbon nanotubes (FMWCNT). And further used them to prepare and optimize Fe3O4 in FMWCNT as 15 wt\% and 25 wt\% self-standing buckypapers of around 30-mu m thickness as electrodes for solid-state symmetric capacitor in the form of coin cell. The results show that 15 wt\% and 25 wt\% of Fe3O4-FMWCNT buckypapers hybrid nanostructures have Fe3O4 nanoparticles successfully incorporated in FMWCNT. The 25 wt\% Fe3O4-FMWCNT electrodes with charge transfer resistance of 140 Ohm showed high areal specific capacitance (Cs) 78.5 mF/cm2 and retained 80 \% of its Cs until 800 cycles even at high current density of 1 mA/cm2, scan rate of 100 mV/s whereas 15 wt\% Fe3O4-FMWCNT showed low Cs of 47 mF/cm2 and retained 80 \% of its Cs over 5000 cycles whereas only FMWCNT show Cs is 36 mF/cm2 with 54 Ohm. Finally, a solid-state symmetric supercapacitor coin cell with self-standing 25 wt\% Fe3O4-FMWCNT buckypaper showed an excellent power density of 129.5 mW cm-3 and energy density of 3.6 mWh cm-3 is the innovation of the current work. This is mainly attributed to the combined effect of pseudocapacitive behavior from Fe3O4 by faradaic reaction with additional charge transfer resistance and electric double layer (EDLC) behavior from FMWCNTs by non-faradaic of electronic, ionic transport during charging-discharging. As-made solid-state symmetric supercapacitor appears as a high-performance storage device without extra support of current collectors for practical applications and for fabri-cation of planar capacitors.

}, keywords = {Buckypaper, Power density, specific capacitance, Symmetric supercapacitor}, issn = {2352-152X}, doi = {10.1016/j.est.2023.109101}, author = {Bhaviripudi, Vijayabhaskara Rao and Dwivedi, Pravin K. and Pabba, Durga Prasad and Aepuru, Radhamanohar and Nakate, Umesh T. and Espinoza-Gonzalez, Rodrigo and Shelke, V, Manjusha} } @article {48998, title = {Exceptional cyclability of thermally stable PVdF-co-HFP/SiO2 nanocomposite polymer electrolytes for sodium ion batteries}, journal = {Journal of Energy Storage}, volume = {73}, year = {2023}, month = {DEC }, type = {Article}, abstract = {

Thermally stable composite polymer electrolyte (CPE) devising PVdF-co-HFP polymer with in-situ generated silica (SiO2) as filler is synthesised via non-solvent- induced phase inversion technique. The filler loading of in-situ synthesised silica in PVdF-co-HFP is varied from 0 to 9 wt\% and its morphological, thermal and electrochemical characterization is carried out. Among the different composite electrolytes, the PVdF-co-HFP containing 6 wt\% SiO2 shows the uniform microporous structure with a highest porosity (84 \%), surface area (784.14 m(2) g(-1)), electrolyte uptake (262 \%) and electrolyte retention value (0.48). The incorporation of in-situ SiO2 on CPE shows not only the enhancement in thermal stability but also reduced thermal shrinkage with an increase in the filler content. The electrochemical studies of PVdF-co-HFP containing 6 wt\% SiO2 shows a higher ionic conductivity (0.71 mS cm(-1)) and potential stability \>4.5 V verses Na/Na+. The Na-ion half-cells assembled with PVdF-co-HFP/SiO2 composite electrolyte show a specific capacity of similar to 120 mAh g(-1) at 0.3C rate in room temperature and a stable cycle performance with a Coulombic efficiency of around 100 \% for 200 cycles.

}, keywords = {Composite electrolytes, Coulombic efficiency, polymer electrolytes, Sodium ion batteries, specific capacity, thermal stability}, issn = {2352-152X}, doi = {10.1016/j.est.2023.109026}, author = {Das, Akhila and Melepurakkal, Amrutha and Sreeram, Pranav and Gireesh, K. T. and Balakrishnan, Neethu T. M. and Fatima, M. J. Jabeen and Pullanchiyodan, Abhilash and Ahn, Jou-Hyeon and V. Shelke, Manjusha and Raghavan, Prasanth} } @article {48747, title = {Exploration of different solid variants of the anticancer medication Panobinostat (PNB) with improved physicochemical attributes}, journal = {Journal of Molecular Structure}, volume = {1292}, year = {2023}, month = {NOV }, pages = {136086}, type = {Article}, abstract = {

Panobinostat (PNB), is a medication used for the treatment of multiple myeloma. It is a BCS Class II drug with strong permeability and poor solubility. Therefore, it is highly desirable to investigate novel PNB variants with improved physiochemical properties. In this regard, several solid forms of PNB have been produced employing mechanochemistry and solution crystallisation techniques using a variety of GRAS (Generally Recognized as Safe) salt formers, notably oxalic acid (OA), fumaric acid (FA), maleic acid (MA), and succinic acid (SA). Powder X-Ray Diffraction (PXRD), Single Crystal X-Ray Diffraction (SCXRD), and thermal analysis such as Thermogravimetric analysis (TGA) and Differential Scanning Calorimetry (DSC) were used to characterize all the synthesised molecular adducts. Hirshfeld surfaces and fingerprint plots demonstrate that the molecular entities are stabilized by O \& BULL;\& BULL;\& BULL;H, C \& BULL;\& BULL;\& BULL;H, C \& BULL;\& BULL;\& BULL;C and H \& BULL;\& BULL;\& BULL;H intermolecular interactions. Moreover, the solubility of parent PNB and its molecular adducts in pH 1.2/pH 6.8 was evaluated at room temperature. In every instance, an increase in the solubility of molecular salts relative to the parent medication is seen, notably PNB.MA exhibits enhanced solubility of 0.294 mg/ml, a 73fold increase over the parent PNB. Furthermore, it is observed that this upsurge in solubility of all the forms is static at pH 1.2. A thorough analysis of the recovered residue after solubility showed that most of the molecular adducts were stable at pH 6.8 and did not display any phase change or dissociation (with the exception of PNB.MA), but at pH 1.2 they transferred into a new stable form and extensive analysis confirmed that it converted into PNB.Cl salt. To the best of our knowledge, this is the first report on novel solid forms of PNB with enhanced physicochemical properties which implies that the obtained PNB molecular adduct may help in the development of improved PNB formulations.

}, keywords = {Hydrogen bond, Molecular adducts, solubility, Solvates}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2023.136086}, author = {Kenguva, Gowtham and Giri, Lopamudra and Rout, Smruti Rekha and Acharya, Achyuta Nanda and Dandela, Rambabu} } @article {48295, title = {Food-grade xylitol production from corncob biomass with acute oral toxicity studies}, journal = {World Journal of Microbiology \& Biotechnology}, volume = {39}, year = {2023}, month = {APR}, pages = {102}, type = {Article}, abstract = {

Xylitol, a sugar substitute, is widely used in various food formulations and finds a steady global market. In this study, xylitol crystals were produced from corncob by fermentation (as an alternative to the chemical catalytic process) by a GRAS yeast Pichia caribbica MTCC 5703 and characterized in detail for their purity and presence of any possible contaminant that may adversely affect mammalian cell growth and proliferation. The acute and chronic oral toxicity trials demonstrated no gross pathological changes with average weekly weight gain in female Wistar rats at high xylitol loading (LD50 \> 10,000 mg/kg body weight). The clinical chemistry analysis supported the evidence of no dose-dependent effect by analyzing blood biochemical parameters. The finding suggests the possible application of the crystals (\> 98\% purity) as a food-grade ingredient for commercial manufacture pending human trials.

}, keywords = {Acute oral toxicity, Corncob, Fermentation, Shelf life analysis, xylitol}, issn = {0959-3993}, doi = {10.1007/s11274-023-03542-2}, author = {Dasgupta, Diptarka and Ahuja, Vishal and Singh, Raghuvir and More, Snehal and Mudliar, Sandeep and Kumar, Madan} } @article {48446, title = {Genomic determinants of entomopathogenic fungi and their involvement in pathogenesis}, journal = {Microbial Ecology}, volume = {85}, year = {2023}, month = {JAN}, pages = {49-60}, type = {Article}, abstract = {

Entomopathogenic fungi offer an effective and eco-friendly alternative to curb insect populations in biocontrol strategy. The evolutionary history of selected entomopathogenic fungi indicates their ancestral relationship with plant endophytes. During this host shifting, entomopathogenic fungi must have acquired multiple mechanisms, including a combination of various biomolecules that make them distinguishable from other fungi. In this review, we focus on understanding various biochemical and molecular mechanisms involved in entomopathogenesis. In particular, we attempt to explain the indispensable role of enlarged gene families of various virulent factors, viz. chitinases, proteases, lipases, specialized metabolites, and cytochrome P450, in entomopathogenesis. Our analysis suggests that entomopathogenic fungi recruit a different set of gene products during the progression of pathogenesis. Knowledge of these bio-molecular interactions between fungi and insect hosts will allow researchers to execute pointed efforts towards the development of improved entomopathogenic fungal strains.

}, keywords = {Biocontrol, Chitinases, Endophytic fungi, Entomopathogenic fungi, Hydrolytic enzymes, Insect pests}, issn = {0095-3628}, doi = {10.1007/s00248-021-01936-z}, author = {Vidhate, Ravindra P. and Dawkar, Vishal V. and Punekar, Sachin A. and Giri, Ashok P.} } @article {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 {48447, title = {Governing dynamics and preferential binding of the AXH domain influence the aggregation pathway of Ataxin-1}, journal = {Proteins-Structure Function and Bioinformatics}, volume = {91}, year = {2023}, month = {MAR}, pages = {380-394}, type = {Article}, abstract = {

The present state of understanding the mechanism of Spinocerebellar Ataxia-1, a fatal neurodegenerative disease linked to the protein Ataxin-1 (ATXN1), is baffled by a set of self-contradictory, and hence, inconclusive observations. This fallacy poses a bottleneck to the effective designing of curable drugs as the field is currently missing the specific druggable site. To understand the fundamentals of pathogenesis, we tried to decipher the intricacies of the extremely complicated landscape by targeting the relevant species that supposedly dictate the structure-function paradigm. The atomic-level description and characterization of the dynamism of the systems reveal the existence of structural polymorphism in all the leading stakeholders of the overall system. The very existence of conformational heterogeneity in every species creates numerous possible combinations of favorable interactions because of the variability in segmental cross-talks and hence claims its role in the choice of routes between functional activity and dysfunctional disease-causing aggregation. Despite this emergent configurational diversity, there is a common mode of operative intermolecular forces that dictates the extent of stability of all the multimeric complexes due to the localized population of a specific type of residue. The present research proposes a dynamic switch mechanism between aggregability and functional activity, based on the logical interpretation of the estimated variables, which is practically dictated by the effective concentration of the interacting species involved in the cell.

}, keywords = {Ataxin-1, molecular dynamics simulation, neurodegenerative diseases, Protein aggregation, protein misfolding disorders}, issn = {0887-3585}, doi = {10.1002/prot.26436}, author = {Tammara, Vaishnavi and Das, Atanu} } @article {48791, title = {H-atom site exchange in an iridium trans-dihydrogen/hydride complex, trans-[Ir(H)(?2-H2)(iPr)4(POCOP)(DMAP)]+}, journal = {Dalton Transactions}, volume = {52}, year = {2023}, month = {OCT }, pages = {13858-13863}, type = {Article}, abstract = {

Treatment of trans-[Ir(H)(N)(2)((iPr)4)(POCOP)(DMAP)][BAr4f] (2) with H-2 (1 bar) under ambient conditions (298 K) results in the formation of a trans-[Ir(H)(?(2)-H-2)((iPr)4)(POCOP)(DMAP)][BAr4f] (3) complex. Complex 3 exhibits H-atom site exchange between the bound H-2 and the hydride ligands which are mutually trans to one another. A plausible mechanism of this exchange involves metal-ligand cooperativity as studied by computations.

}, issn = {1477-9226}, doi = {10.1039/d3dt02366d}, author = {Agrawal, Nisha K. and Gayathridevi, S. and Dash, Soumya R. and Vanka, Kumar and Jagirdar, Balaji R.} } @article {48815, title = {Hierarchical covalent organic framework-foam for multi-enzyme tandem catalysis}, journal = {Chemical Science}, volume = {14}, year = {2023}, month = {JUN }, pages = {6643-6653}, type = {Article}, abstract = {

Covalent organic frameworks (COFs) are ideal host matrices for biomolecule immobilization and biocatalysis due to their high porosity, various functionalities, and structural robustness. However, the porosity of COFs is limited to the micropore dimension, which restricts the immobilization of enzymes with large volumes and obstructs substrate flow during enzyme catalysis. A hierarchical 3D nanostructure possessing micro-, meso-, and macroporosity could be a beneficial host matrix for such enzyme catalysis. In this study, we employed an in situ CO2 gas effervescence technique to induce disordered macropores in the ordered 2D COF nanostructure, synthesizing hierarchical TpAzo COF-foam. The resulting TpAzo foam matrix facilitates the immobilization of multiple enzymes with higher immobilization efficiency (approximately 1.5 to 4-fold) than the COF. The immobilized cellulolytic enzymes, namely beta-glucosidase (BGL), cellobiohydrolase (CBH), and endoglucanase (EG), remain active inside the TpAzo foam. The immobilized BGL exhibited activity in organic solvents and stability at room temperature (25 degrees C). The enzyme-immobilized TpAzo foam exhibited significant activity towards the hydrolysis of p-nitrophenyl-beta-d-glucopyranoside (BGL@TpAzo-foam: K-m and V-max = 23.5 +/- 3.5 mM and 497.7 +/- 28.0 mu M min(-1)) and carboxymethylcellulose (CBH@TpAzo-foam: K-m and V-max = 18.3 +/- 4.0 mg mL(-1) and 85.2 +/- 9.6 mu M min(-1) and EG@TpAzo-foam: K-m and V-max = 13.2 +/- 2.0 mg mL(-1) and 102.2 +/- 7.1 mu M min(-1)). Subsequently, the multi-enzyme immobilized TpAzo foams were utilized to perform a one-pot tandem conversion from carboxymethylcellulose (CMC) to glucose with high recyclability (10 cycles). This work opens up the possibility of synthesizing enzymes immobilized in TpAzo foam for tandem catalysis.

}, issn = {2041-6520}, doi = {10.1039/d3sc01367g}, author = {Paul, Satyadip and Gupta, Mani and Dey, Kaushik and Mahato, Ashok Kumar and Bag, Saikat and Torris, Arun and Gowd, E. Bhoje and Sajid, Hasnain and Addicoat, Matthew A. and Datta, Supratim and Banerjee, Rahul} } @article {48670, title = {High open-circuit voltage in lead sulfide quantum dot solar cells via solution-phase ligand exchange with low electron affinity cadmium halides}, journal = {JOURNAL OF MATERIALS CHEMISTRY A}, volume = {11}, year = {2023}, month = {AUG}, pages = {17282-17291}, type = {Article}, abstract = {

The deployment of colloidal quantum dots (QDs) in building high-performance solar cells and other optoelectronic applications relies on the passivation of unsaturated surface atoms through ligand engineering to attain a trap-free energy bandgap and strong QD coupling while maintaining the quantum confinement effect. Despite major advancements in surface passivation strategies, the open circuit voltage (V-oc) of lead sulfide (PbS) QD solar cells is limited by undesirable sub-bandgap states and high-bandtail states. The most advanced solution-phase ligand exchange strategy for PbS QDs depends on lead halide ligands, which improved the photocurrent and fill factor in QD solar cells significantly, but only an incremental change in V-oc is observed. Here we showcase a solution-phase hybrid ligand passivation strategy for PbS QDs using shallow electron affinity cadmium halide and thiol ligands. The cadmium halide ligand treatment results in the sub-monolayer substitution of surface Pb atoms by Cd atoms. The photophysical properties of QDs improve significantly to show intense band edge emission, diminished trap emission and reduced Urbach tail states. The photovoltaic devices built using cadmium halide-treated QDs show low reverse saturation current, which helps to attain a record 0.7 V V-oc (for a 1.28 eV bandgap) and 12.3\% PCE.

}, issn = {2050-7488}, doi = {10.1039/d3ta02191b}, author = {Dambhare, Neha V. and Biswas, Arindam and Sharma, Anjali and Shinde, Dipak Dattatray and Mahajan, Chandan and Mitra, Anurag and Rath, Arup K.} } @article {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 {48946, title = {Hydrodynamics, residence time distribution, and mass transfer in spiral coils in series}, journal = {Industrial and Engineering Chemistry Research }, volume = {62}, year = {2023}, month = {DEC }, pages = {21822-21834}, type = {Journal Article}, abstract = {

Here, we report the analysis of flow field, residence time distribution (RTD), and mass transfer for the novel design of a spiral coil reactor (SCR) consisting of five spiral coils connected in series. Each coil comprises 8 turns with minimum and maximum radii of curvatures of 15 and 45 mm, respectively. The SCR is made up of an SS 316 tube (1/8 in. approximate to 3.175 mm O.D. and 1.8 mm I.D.), with a total length of 3.89 m. Experiments, as well as three-dimensional (3D) CFD simulations, are carried out to study the effects of the flow rate (61 \<= Re-in \<= 1839) on spatial variations in velocity and pressure distribution within the individual coils of the reactor. The flow regime is observed to undergo a transition from stable laminar flow for a lesser Dean number (De \< 50) to dominant secondary flow vortices for De \> 80. During the flow from the inner to the outer turns of the coil, the tangential velocity increases with a decreasing curvature ratio (delta), and the opposite occurs during the flow from the outer to the inner turns of the coil. Experimental RTD results show that the extent of axial dispersion decays exponentially with increasing Re and remains constant for Re \> 500. For liquid-liquid two-phase flow, the spiral coils in series offer a mass transfer coefficient comparable to those of static mixers and agitated contactors but with significantly lesser power consumption per unit volume. This work gives new insights into the design of a spiral coil reactor suitable to carry out single-phase and multiphase reactions efficiently as possibly the most space-filling option of tubular reactors with excellent transport characteristics.

}, keywords = {Gas- Liquid, heat transfer coefficient, Liquid Taylor Flow}, issn = {0888-5885}, doi = {10.1021/acs.iecr.3c02859}, author = {Khan, Muzammilanwar S. and Deore, Hital S. and Kulkarni, Amol A.} } @article {48761, title = {Identification of new modulator of DNA repairing pathways based on natural product ({\textpm})-peharmaline A}, journal = {Bioorganic \& Medicinal Chemistry}, volume = {91}, year = {2023}, month = {AUG}, pages = {117365}, type = {Article}, abstract = {

The complex heterogenic environment of tumour mass often leads to drug resistance and facilitate chemo insensitivity triggering more malignant phenotypes among cancer patients. Major DNA-damaging cancer drugs have been consistently proven unsuccessful in terms of elevating chemo-resistance. (\& PLUSMN;)-peharmaline A, a hybrid natural product isolated from seeds of Peganum harmala L. possesses significant cytotoxic activities. Herein, we have described the design, and synthesis of a novel library of close and simplified analogues around the anticancer natural product (\& PLUSMN;)-peharmaline A and investigated their cytotoxic activities, which led to the identification of three structurally simplified lead compounds exhibiting better potency than parent natural product. Among them, demethoxy analogue of peharmaline A was further investigated for its anticancer potential eliciting demethoxy analogue as potent DNA-damage inducing agent attenuating the expression of the proteins responsible for the DNA damage repair. Therefore, this demethoxy analogue warrants detailed investigations for the confirmations of the molecular mechanism-based studies responsible for its anticancer activity.

}, keywords = {DNA damage, EMT, Pictet, Spengler reaction, Structure-activity relationship, Total synthesis}, issn = {0968-0896}, doi = {10.1016/j.bmc.2023.117365}, author = {Kulkarni, Akshay S. and Dash, Anshurekha and Shingare, Rahul D. and Chand, Jagdish and Manhas, Diksha and Singh, Aman and Nandi, Utpal and Goswami, Anindya and Reddy, D. Srinivasa} } @article {48727, title = {Improving hydrodynamic cavitation using newer surface-coated cavitation reactors}, journal = {Chemical Engineering Research \& Design}, volume = {199}, year = {2023}, month = {NOV}, pages = {238-251}, type = {Article}, abstract = {

Surface-coated cavitation devices, vortex diode (SCVD) have been reported for the first time for enhancing efficiency of hydrodynamic cavitation (HC). Two surface-coated cavitation reactors using coating of copper and nickel (-50 mu m) were evaluated, also comparing results with conventional reactor vortex diode. The proof of concept is successfully demonstrated for complete degradation of two model organic pollutants, antibioticscephalexin (CFX) and ciprofloxacin (CIP). The surface-coated reactors provide dual activity, and the catalytic effect is highly pronounced with process intensification using H2O2 and/ or pH alternations. Integration of SCVD, pH and H2O2 was the most effective strategy. Complete degradation of the antibiotics was achieved within minutes with H2O2 (-1000 molar ratio) for both Cu and Ni-surface-coated cavitation reactors compared to lower degradation of-19\% for CFX and-37\% for CIP using only HC. An excellent enhancement of over 300\% for CFX degradation at pH 11 and-170\% for CIP degradation at pH 4 was obtained. Huge enhancements in per-pass degradation and cavitational yields (up to 400 times) clearly highlight the utility of the surface-coated cavitation reactors in various applications and for cost-effectiveness.(c) 2023 Institution of Chemical Engineers. Published by Elsevier Ltd. All rights reserved.

}, keywords = {Hydrodynamic cavitation, Oxidation, pollution, Reactor, Technology, Wastewater treatment}, issn = {0263-8762}, doi = {10.1016/j.cherd.2023.10.002}, author = {Dixit, Divya and Thanekar, Pooja and Bhandari, Vinay M.} } @article {48912, title = {In vitro anticancer evaluation of enceleamycin A and its underlying }, journal = {RSC Advances }, volume = {13}, year = {2023}, month = {NOV }, pages = {34183-34193}, type = {Article}, abstract = {

It has become more crucial than ever to find novel anticancer compounds due to the rise in cancer mortality and resistance to the present chemotherapeutic drugs. Naphthoquinones are regarded as privileged structures for their ability to inhibit various cancers. The current study examined three novel furo-naphthoquinones (Enceleamycins A-C) previously isolated from Amycolatopsis sp. MCC 0218 for their anticancer potential. Enceleamycin A demonstrated considerable cytotoxicity for triple-negative breast cancer (TNBC) MDA-MB-231 cells with an IC50 value of 1.25 mu g mL(-1) (3.78 mu M). It also showed the ability to inhibit MDA-MB-231 cell migration. Enceleamycin A raises intracellular ROS levels in TNBC cells, ultimately leading to apoptotic cell death, as demonstrated by Annexin V/PI staining. The molecular docking and simulation investigation revealed better binding affinity of Enceleamycin A with AKT2, which plays a vital role in breast cancer{\textquoteright}s invasiveness and chemo-resistance. Enceleamycin A inhibits the AKT2 enzyme in vitro with an IC50 value of 0.736 mu g mL(-1) (2.22 mu M), further validating the docking study. The in silico physicochemical and pharmacokinetics characteristics of Enceleamycin A demonstrated its drug-likeness. Intriguingly, Enceleamycin A is non-hemolytic in nature. Taken together, Enceleamycin A could be a candidate molecule for treating TNBC cells by targeting the AKT2 signaling pathway.

}, keywords = {Assay, cancer, Derivatives, Naphthoquinones, Plays}, doi = {10.1039/d3ra06204j}, author = {Khan, Abujunaid and Pradeep, S. and Dastager, Syed G.} } @article {48691, title = {Industry-oriented method for the aqueous phase oxidation of crude 5-hydroxymethyl furfural (HMF) to 2,5-furandicarboxylic acid (FDCA)}, journal = {New Journal of Chemistry}, volume = {47}, year = {2023}, month = {AUG }, pages = {15325-15335}, type = {Article}, abstract = {

Valorization of cellulose, hemicellulose, and lignin into value-added industrially relevant chemicals is important to achieve sustainability goals that various governments and industries have set. In view of this, the oxidative synthesis of 2,5-furandicarboxylic acid (FDCA) from 5-hydroxymethyl furfural (HMF) as an analogous compound to terephthalic acid in the synthesis of PEF is interesting to researchers. Though advancements in the oxidation of HMF have been made, the efficient synthesis of HMF, its storage, and isolation are great challenges due to its instability under normal conditions. While purified HMF can be used to synthesize FDCA, it is imperative to use crude HMF for the synthesis of FDCA since several techno-economical studies reveal that the purification of HMF is the most cost-intensive step. Herein, we demonstrate the oxidation of crude HMF, synthesized in the laboratory to FDCA, using nonprecious-based mixed metal oxides in the aqueous medium in the presence of oxygen/air. Among various catalysts, Cu-Mn catalyst at 120 \& DEG;C within 8 h in the presence of oxygen (10 bar) could yield 90\% FDCA. This activity was comparable with that of the commercially available and well-studied Ru/C (5 wt\%) catalyst (93\% yield). In addition, the role of HMF purity, air as an oxidant, and the influence of temperature, pressure, and time is systematically studied. It is also demonstrated that FDCA formation proceeds via HMFCA and FFCA formation. The isolation of FDCA and its purity (\>99\%) is corroborated with various techniques such as NMR, IR, and HRMS.

}, issn = {1144-0546}, doi = {10.1039/d3nj01834b}, author = {Lokhande, Priya and Sonone, Kalyani and Dhepe, Paresh L.} } @article {49127, title = {Inhibitory effect of curcumin-artemisinin co-amorphous on Tau aggregation and Tau phosphorylation}, journal = {Colloid and Surfaces B-Biointerfaces}, volume = {221}, year = {2023}, month = {JAN}, type = {Article}, abstract = {

Tau is a natively unfolded microtubule-associated protein. Tau neurofibrillary tangles are one of the hallmarks of Alzheimer{\textquoteright}s disease. The post-translational modifications of Tau lead to its pathological state. Phosphorylation is the key post-translational modification associated with Tauopathy. Curcumin is a polyphenolic compound pre-sent in the rhizomes of Curcuma longa. Curcumin has been reported to have remarkable medicinal properties in several diseases, but its poor solubility limits its therapeutic potency. Artemisinin is a sesquiterpene lactone, which has been known sience ancient times for its applications as a treatment for various diseases such as malaria, cancer, autoimmune disease, etc. In the present study, the potency of crystalline curcumin, crystalline artemisinin, and Cur-Art co-amorphous dispersion were evaluated against Tau pathology. The in-vitro ThS/ANS fluorescence and electron microscopy results suggested that curcumin and Cur-Art efficiently inhibited Tau aggregation. Furthermore, exposure to curcumin and Cur-Art co-amorphous restored the impaired nuclear transport in formaldehyde-stressed cells. Curcumin was also found to modulate the phosphorylation of Tau, which indicated the neuroprotective potency. Thus, curcumin and Cur-Art co-amorphous exhibit therapeutic potential against Tau protein in Alzheimer{\textquoteright}s disease.

}, keywords = {artemisinin, curcumin, Phosphorylation, Tau Aggregation}, issn = {0927-7765}, doi = {10.1016/j.colsurfb.2022.112970}, author = {Dubey, Tushar and Sonawane, Shweta Kishor and Mannava, M. K. Chaitanya and Nangia, Ashwini K. and Chandrashekar, Madhura and Chinnathambi, Subashchandrabose} } @article {48684, title = {Insights into adsorption of various gases on extra-framework cations of zeolite: a dispersion corrected DFT study on zeolite cluster models with Li plus , Na plus and K plus ions}, journal = {Microporous and Mesoporous Materials}, volume = {361}, year = {2023}, month = {Nov}, pages = {112739}, type = {Article}, abstract = {

Design of an economical and sustainable gas separation material is relevant in several industrial processes. Zeolites with tunable pore sizes are ideal molecular sieves of many gases. The adsorption centers of these molecular sieves are extra-framework Lewis acid centers. In this study, we attempt to delineate the electronic properties of such centers (Li+, Na+ and K+) and their sorption properties towards N2, O2, CO, CO2 and H2. Negative framework of zeolites are modeled using different cluster models that present distinct electronic environment and role of this environment on the Lewis acidity of the cation. The sorption property towards different gases is evaluated using dispersion corrected DFT studies. The results obtained are benchmarked for one of the studied model using CCSD calculations. The results indicate that while the local environment modulates the adsorption properties, the relative adsorption properties between different ions follow the same order irrespective of the type of negative framework modeled. This reveals that intrinsic atomic properties of the charge compensating cations drive the sorption properties of the zeolites. Adsorption energies compounded with the analysis of IR stretching frequencies of the adsorbed gases reveals that Li centers shows molecular adsorption (charge donation to the cationic centers) towards N2 as compared to O2 and towards CO2/CO as compared to H2, demonstrating the applicability of Li-Zeolites as ideal membranes for oxygen concentrators and syngas separation. These adsorption studies are ratified by the BOMD simulations at 300 K, where H2 and O2 desorbs while N2, CO and CO2 remains adsorbed to the cationic site.

}, keywords = {BOMD simulation, CO/CO2/H2 separation, Extra-framework cation, N2/O2 separation, zeolites}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2023.112739}, author = {Devasia, George and Kumar, Ravi and Vaval, Nayana and Krishnamurty, Sailaja} } @article {48450, title = {Intrinsic charge polarization in Bi19S27Cl3 nanorods promotes selective C-C coupling reaction during photoreduction of CO2 to ethanol}, journal = {Advanced Materials}, volume = {35}, year = {2023}, month = {FEB}, type = {Article}, abstract = {

Obtaining multi-carbon products via CO2 photoreduction is a major catalytic challenge involving multielectron-mediated C-C bond formation. Complex design of multicomponent interfaces that are exploited to achieve this chemical transformation, often leads to untraceable deleterious changes in the interfacial chemical environment affecting CO2 conversion efficiency and product selectivity. Alternatively, robust metal centers having asymmetric charge distribution can effectuate C-C coupling reaction through the stabilization of intermediates, for desired product selectivity. However, generating inherent charge distribution in a single component catalyst is a difficult material design challenge. Here, a novel photocatalyst, Bi19S27Cl3, is presented which selectively converts CO2 to a C-2 product, ethanol, in high yield under visible light irradiation. Structural analysis through transmission electron microscopy, X-ray diffraction, X-ray photoelectron spectroscopy, and X-ray absorption spectroscopy reveals the presence of charge polarized bismuth centers in Bi19S27Cl3. The intrinsic electric field induced by charge polarized bismuth centers renders better separation efficiency of photogenerated electron-hole pair. Furthermore, charge polarized centers yield better adsorption of CO* intermediate and accelerate the rate determining C-C coupling step through the formation of OCCOH intermediate. Formation of these intermediates is experimentally mapped by in situ Fourier-transform infrared spectroscopy and further confirmed by theoretical calculation.

}, keywords = {C-C coupling, charge polarization, CO2 reduction, Ethanol, Photocatalysis}, issn = {0935-9648}, doi = {10.1002/adma.202205994}, author = {Das, Kousik and Das, Risov and Riyaz, Mohd and Parui, Arko and Bagchi, Debabrata and Singh, Ashutosh Kumar and Singh, Abhishek Kumar and Vinod, Chathakudath P. and Peter, Sebastian C.} } @article {48339, title = {Investigation and analysis of structural and electrochemical properties of highly ionic conductive La2-xSrxSn2O7-delta electrolyte for SOFC applications}, journal = {Chemical Papers}, volume = {77}, year = {2023}, month = {MAY}, pages = {2697-2705}, type = {Article}, abstract = {

This study primarily focused on the investigation, synthesis and analysis of lanthanum and tin pyrochlores electrolytes for solid oxide fuel cell (SOFC) applications. Ceramic samples with diverse compositions of La2-xSrxSn2O7-delta (x = 0.05, 0.1, 0.15, 0.2, 0.25, and 0.3) were synthesized by using solid-state reaction (SSR) methods. The prepared La2-xSrxSn2O7-delta samples were characterized by using X-ray diffraction, scanning electron microscopy and electrochemical impedance spectroscopy measurements. The results were further interpreted regarding the formation of high oxygen vacancy and structural disorder in the La2-xSrxSn2O7-delta matrix. The doping of lanthanum (La3+) by strontium (Sr2+) had a beneficial and remarkable effect on the structural and electrical properties: the increase in dopant (Sr) concentration decreased the lattice parameters of the crystalline phase and enhanced the creation of oxygen vacancies, which consequently increased the ionic conductivity and decreased the activation energy. Thus, it could be understood that the studied new La2-xSrxSn2O7-delta electrolyte would be one of the potential candidates for intermediate temperature SOFC applications.

}, keywords = {Electrolyte, Impedance spectroscopy, Ionic conductivity, Pyrochlore, SOFC}, issn = {0366-6352}, doi = {10.1007/s11696-022-02659-2}, author = {Melit, Fatima and Bounar, Nedjemeddine and Shaikh, Shabana P. S. and Deshpande, Manish and Steil, Marlu Cesar} } @article {49131, title = {Investigation of cold-active and mesophilic cellulases: opportunities awaited}, journal = {Biomass Conversion and Biorefinery}, volume = {13}, year = {2023}, month = {JUL}, pages = {8829-8852}, type = {Review}, abstract = {

In the recent decade, the global demand and fuel prices have urged a need to track down an alternate resource. Second-generation (2G) biofuel from the lignocellulosic biomass (LCB) is trending as the fundamental alternative resource. Although LCB is the most abundantly available renewable resource, its commercialization into 2G biofuel technology is a major challenge. Efficient LCB hydrolysis requires a proper lignocellulolytic enzyme cocktail. In view to addressing this problem, several researchers are investigating for efficient enzymes to hydrolyze LCB. To date, there are very few commercial enzymes that aid in the breakdown of LCB, and these enzymes are traditionally isolated from culturable microbes. As only 1\% of the microbes can be cultivated in the laboratory, the potentials of the uncultured remain under-explored. In the recent decade, advances in metagenomics using next-generation sequencing (NGS) technologies have revealed the vast diversity of hydrolytic enzymes and multiple domain proteins in the ecosystem. Aiming this, we focus our review on investigating efficient cold-active and mesophilic cellulases from the metagenome. India is an agro-based country with various climatic regions, ranging from warm and humid in the south to mild or moderate and cold or snowy in the Himalayan north; therefore, both cold-active and mesophilic cellulases are needed for LCB to ethanol. Along with downsizing, the conversion cost of LCB to fermentable sugars not only increases the enzymatic conversion but also increases the fermentation efficiency, which ultimately helps to commercialize the second-generation biofuel technology. Metagenomics is an evolving concept, and it has opened new horizons for the discovery of micro-organisms and new enzymes.

}, keywords = {cellulases, Glycosyl hydrolase, Lignocellulosic biomass, Metagenomics, simultaneous saccharification and fermentation}, issn = {2190-6815}, doi = {10.1007/s13399-021-02047-y}, author = {Chavan, Sambhaji and Shete, Ashvini and Mirza, Yasmin and Dharne, Mahesh S.} } @article {48939, title = {Isomer effect on energy storage of π-extended S-shaped double[6]heterohelicene}, journal = { Angewandte chemie-international edition}, volume = {62}, year = {2023}, month = {NOV}, type = {Article}, abstract = {

Recently, chiral and nonplanar cutouts of graphene have been the favorites due to their unique optical, electronic, and redox properties and high solubility compared with their planar counterparts. Despite the remarkable progress in helicenes, pi-extended heterohelicenes have not been widely explored. As an anode in a lithium-ion battery, the racemic mixture of pi-extended double heterohelical nanographene containing thienothiophene core exhibited a high lithium storage capability, attaining a specific capacity of 424 mAh g-1 at 0.1 A g-1 with excellent rate capability and superior long-term cycling performance over 6000 cycles with negligible fade. As a first report, the pi-extended helicene isomer (PP and MM), with the more interlayer distance that helps faster diffusion of ions, has exhibited a high capacity of 300 mAh g-1 at 2 A g-1 with long-term cycling performance over 1500 cycles compared to the less performing MP and PM isomer and racemic mixture (150 mAh g-1 at 2 A g-1). As supported by single-crystal X-ray analysis, a unique molecular design of nanographenes with a fixed (helical) molecular geometry, avoiding restacking of the layers, renders better performance as an anode in lithium-ion batteries. Interestingly, the recycled nanographene anode material displayed comparable performance. A pi-extended double heterohelical nanographene of thienothiophene core fused with two hexabenzocoronene units exhibits excellent performance as an anode in a lithium-ion battery. The isomer (PP and MM) with more interlayer distance exhibited a high lithium storage capability compared to the other isomer and racemic mixture. Helical nanographene anodes display excellent rate capability, superior long-term cycling performance, and recyclability.image

}, keywords = {Battery, graphene, Li-ion battery, nanographene, Organic Electrode Material}, issn = {1433-7851}, doi = {10.1002/anie.202311657}, author = {Kumar, Viksit and Bharathkumar, H. J. and Dongre, Sangram D. and Gonnade, Rajesh and Krishnamoorthy, Kothandam and Babu, Sukumaran Santhosh} } @article {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 {48756, title = {Mechanistic insights into near ambient pressure activity of intermetallic NiZn/TiO2 catalyst for CO2 conversion to methanol}, journal = {ChemCatChem}, volume = {15}, year = {2023}, month = {JAN }, type = {Article}, abstract = {

Ni-Zn pair is predicted through descriptor-based studies to be conducive for CO2 hydrogenation. In this study, NiZn (1 : 1) intermetallics supported on TiO2 is identified as a potential candidate for near ambient pressure activity. The effect of reduction temperature on the catalyst textural properties as well as on CO2 to methanol reduction are explored. Structural and microscopic studies provide clear evidence of phase evolution of NiZn alloy with increasing reduction temperatures, along with phase variations of Zn based oxides. Interface between NiZn intermetallics and ZnO nanoparticles observed at reduction temperature of 550 degrees C, seems to play a crucial role in making this system most active and selective to methanol. In addition, in-situ IR studies provide mechanistic insights and indicates the formation of methanolic species even at ambient pressure.

}, keywords = {CCUS, CO2, In-situ IR, Methanol, near ambient pressure}, issn = {1867-3880}, doi = {10.1002/cctc.202201150}, author = {Dongapure, Pavan and Tekawadia, Jyoti and Thundiyil, Shibin and Caha, Ihsan and Deepak, Francis Leonard and Devi, R. Nandini} } @article {48468, title = {Microglia degrade Tau oligomers deposit via purinergic P2Y12-associated podosome and filopodia formation and induce chemotaxis}, journal = {Cell and Bioscience}, volume = {13}, year = {2023}, month = {MAY}, pages = {95}, type = {Article}, abstract = {

BackgroundTau protein forms neurofibrillary tangles and becomes deposited in the brain during Alzheimer{\textquoteright}s disease (AD). Tau oligomers are the most reactive species, mediating neurotoxic and inflammatory activity. Microglia are the immune cells in the central nervous system, sense the extracellular Tau via various cell surface receptors. Purinergic P2Y12 receptor can directly interact with Tau oligomers and mediates microglial chemotaxis via actin remodeling. The disease-associated microglia are associated with impaired migration and express a reduced level of P2Y12, but elevate the level of reactive oxygen species and pro-inflammatory cytokines.ResultsHere, we studied the formation and organization of various actin microstructures such as-podosome, filopodia and uropod in colocalization with actin nucleator protein Arp2 and scaffold protein TKS5 in Tau-induced microglia by fluorescence microscopy. Further, the relevance of P2Y12 signaling either by activation or blockage was studied in terms of actin structure formations and Tau deposits degradation by N9 microglia. Extracellular Tau oligomers facilitate the microglial migration via Arp2-associated podosome and filopodia formation through the involvement of P2Y12 signaling. Similarly, Tau oligomers induce the TKS5-associated podosome clustering in microglial lamella in a time-dependent manner. Moreover, the P2Y12 was evidenced to localize with F-actin-rich podosome and filopodia during Tau-deposit degradation. The blockage of P2Y12 signaling resulted in decreased microglial migration and Tau-deposit degradation.ConclusionsThe P2Y12 signaling mediate the formation of migratory actin structures like- podosome and filopodia to exhibit chemotaxis and degrade Tau deposit. These beneficial roles of P2Y12 in microglial chemotaxis, actin network remodeling and Tau clearance can be intervened as a therapeutic target in AD.

}, keywords = {Filopodia, microglia, migration, Podosome, Tau Oligomers}, doi = {10.1186/s13578-023-01028-0}, author = {Chinnathambi, Subashchandrabose and Das, Rashmi} } @article {48803, title = {Mitigating dendrite formation on a Zn electrode in aqueous zinc chloride by the competitive surface chemistry of an imidazole additive}, journal = {ACS Applied Materials and Interfaces}, volume = {15}, year = {2023}, month = {MAY}, pages = {23093-23103}, type = {Article}, abstract = {

Electrochemical energy storage systems are critical in several ways for a smooth transition from nonrenewable to renewable energy sources. Zn-based batteries are one of the promising alternatives to the existing state-of-the-art Li-ion battery technology, since Li-ion batteries pose significant drawbacks in terms of safety and cost-effectiveness. Zn (with a reduction potential of -0.76 V vs SHE) has a significantly higher theoretical volumetric capacity (5851 mAh/cm3) than Li (2061 mAh/cm3), and it is certainly far less expensive, safer, and more earth-abundant. The formation of dendrites, hydrogen evolution, and the formation of a ZnO passivation layer on the Zn anode are the primary challenges in the development and deployment of rechargeable zinc batteries. In this work, we examine the role of imidazole as an electrolyte additive in 2 M ZnCl2 to prevent dendrite formation during zinc electrodeposition via experimental (kinetics and imaging) and theoretical density functional theory (DFT) studies. To characterize the efficacy and to identify the appropriate concentration of imidazole, linear sweep voltammetry (LSV) and chronoamperometry (CA) are performed with in situ monitoring of the electrodeposited zinc. The addition of 0.025 wt \% imidazole to 2 M ZnCl2 increases the cycle life of Zn-symmetric cells cycled at 1 mA/cm2 for 60 min of plating and stripping dramatically from 90 to 240 h. A higher value of the nucleation overpotential is noted in the presence of imidazole, which suggests that imidazole is adsorbed at a competitively faster rate on the surface of zinc, thereby suppressing the zinc electrodeposition kinetics and the formation. X-ray tomography reveals that a short circuit caused by dendrite formation is the main plausible failure mechanism of Zn symmetric cells. It is observed that the electrodeposition of zinc is more homogeneous in the presence of imidazole, and its presence in the electrolyte also inhibits the production of a passivating coating (ZnO) on the Zn surface, thereby preventing corrosion. DFT calculations conform well with the stated experimental observations.

}, keywords = {dendrite, Density functional theory, exchange current density, Imidazole, X-ray computed tomography, zinc metal electrodeposition}, issn = {1944-8244}, doi = {10.1021/acsami.3c01310}, author = {Rana, Ashutosh and Thakare, Anup and Kumar, Nikhil and Mukherjee, Buddhadev and Torris, Arun and Das, Bidisa and Ogale, Satishchandra and Banerjee, Abhik} } @article {48711, title = {Molecular mechanism of PSMa3 aggregation: a new view}, journal = {Journal of Physical Chemistry B}, volume = {127}, year = {2023}, month = {SEP}, pages = {8317-8330}, type = {Article}, abstract = {

The emergence of a novel cross-alpha fibrillar structure, unlike the commonly observed sequence-independent cross-beta one, of a 22-residue bacterial virulent amphipathic alpha-helical peptide of the phenol soluble modulin (PSM) family, PSM alpha 3, with many deleterious effects on human life, has infused uncertainty to the paradigm of the intrinsically polymorphic, multivariate, multiphasic, and cross-sequence-cross-disease entangled protein aggregation landscape and hence on the identity of the therapeutic target. We, here, deconvolute the factors contributing to the genesis and hence the transition of lower to higher order aggregates of PSM alpha 3 in its natural state and three noncanonical designed variants using conventional and enhanced sampling approach-based atomistic simulations. PSM alpha 3 shows structural polymorphism with nominal alpha-helicity, substantial beta-propensity, and dominant random-coil features, irrespective of the extent of aggregation. Moreover, the individual features of the overall amphipathicity operate alternatively depending on the extent and organization of aggregation; the dominance gradually moves from charged to hydrophobic residues with the progressive generation of higher order aggregates (dimer to oligomer to fibril) and with increasing orderedness of the self-assembled construct (oligomer vs dimer/fibril). Similarly, the contribution of interchain salt bridges decreases with increasing order of aggregation (dimer to oligomer to fibril). However, the intrachain salt bridges consistently display their role in all phases of aggregation. Such phase-independent features also include equivalent roles of electrostatic and van der Waals forces on intrachain interactions, sole contribution of van der Waals forces on interchain cross-talk, and negligible peptide-water relationship. Finally, we propose a conjugate peptide-based aggregation suppressor having a single-point proline mutation.

}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.3c03806}, author = {Tammara, Vaishnavi and Das, Atanu} } @article {48701, title = {Multi-bandgap quantum dots ensemble for near-infrared photovoltaics}, journal = {Energy Technology}, volume = {11}, year = {2023}, month = {JUN}, type = {Article}, abstract = {

Narrow bandgap quantum dots (QDs) are an important class of materials for near-infrared (NIR) optoelectronic devices owing to their size-tunable bandgap and chemical root processing. In photovoltaic applications, NIR QDs could be particularly useful to complement the sub-bandgap transmission loss of NIR solar radiation from perovskite and c-Si solar cells. However, insufficient carrier extraction thickness associated with the narrow NIR excitonic bandwidth of QDs limits the conversion efficacy of the broad NIR solar spectrum. Here, we utilize a multi-bandgap QD ensemble which widens the NIR absorption bandwidth to mimic the broad solar spectrum. A solution-phase ligand passivation strategy is used to control doping properties and energy level alignment of multi-bandgap QDs. We successfully developed bulk-heterojunction solar cells using the multi-bandgap QD ensemble, which yields higher carrier extraction thickness and broader NIR absorption. The gain from NIR absorption and carrier transport resulted in higher short-circuit current generation and power conversion efficiency (PCE) in solar cell devices. The champion device shows 8.73\% PCE under 1.5 AM solar illumination and 7.44\% and 5.05\% PCE for the NIR photons transmitted from perovskite and c-Si layers.

}, keywords = {bulk-heterojunctions, multi-bandgap, near-infrared, quantum dots, solar cells, surface passivation}, issn = {2194-4288}, doi = {10.1002/ente.202201375}, author = {Mahajan, Chandan and Dambhare, Neha V. and Biswas, Arindam and Sharma, Anjali and Shinde, Dipak Dattatray and Rath, Arup K.} } @article {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 {48828, title = {Non-Markov models of single-molecule dynamics from information-theoretical analysis of trajectories}, journal = {Journal of Chemical Physics}, volume = {159}, year = {2023}, month = {AUG }, pages = {064104}, type = {Article}, abstract = {

Whether single-molecule trajectories, observed experimentally or in molecular simulations, can be described using simple models such as biased diffusion is a subject of considerable debate. Memory effects and anomalous diffusion have been reported in a number of studies, but directly inferring such effects from trajectories, especially given limited temporal and/or spatial resolution, has been a challenge. Recently, we proposed that this can be achieved with information-theoretical analysis of trajectories, which is based on the general observation that non-Markov effects make trajectories more predictable and, thus, more {\textquoteleft}{\textquoteleft}compressible{\textquoteright}{\textquoteright} by lossless compression algorithms. Toy models where discrete molecular states evolve in time were shown to be amenable to such analysis, but its application to continuous trajectories presents a challenge: the trajectories need to be digitized first, and digitization itself introduces non-Markov effects that depend on the specifics of how trajectories are sampled. Here we develop a milestoning-based method for information-theoretical analysis of continuous trajectories and show its utility in application to Markov and non-Markov models and to trajectories obtained from molecular simulations.

}, issn = {0021-9606}, doi = {10.1063/5.0158930}, author = {Song, Kevin and Park, Raymond and Das, Atanu and Makarov, Dmitrii E. and Vouga, Etienne} } @article {48475, title = {Novel Biogenic Synthesis of Pd/TiO@BC as an electrocatalytic and possible energy storage materials}, journal = {Ceramics International}, volume = {49}, year = {2023}, month = {MAY}, pages = {15874-15883}, type = {Article}, abstract = {

The standard approach towards synthesizing nanomaterials exercising chemical or physical techniques generally costs more and necessitates using toxic chemicals, which negatively affect the environment. For the first time, an investigation of a basic green synthesis approach for Phyto fabrication of Pd/TiO@BC nanocomposite via biomass of rice husk (Oryza sativa L) is conducted to sustain the green chemistry for synthesis of less toxic chemicals. XRD analysis revealed that the structure of Phyto synthesized Pd/TiO@BC is crystalline, while UV, FTIR, SEM and EDX analyses marked the victorious nanocomposite biosynthesis. We have investigated the electrocatalytic and biomedical applications of the novel nanocomposite Pd/TiO@BC at different environmental conditions. Testing the potential electrochemical properties of Pd/TiO@BC to eliminate the Congo red (CR) dye from wastewater marked its high removal efficiency, which attained 90\% owing to the higher electron efficiency. Its sensitivity for CR was also examined, and acceptable degradation activity was observed. These Pd/TiO@BC proved to be beneficial in various fields, including electrochemistry, catalysis sensors, wastewater treatment, and nano-devices, and in the transformation of hazardous particles into less harmful substances. Its great potential for use as a supercapacitor is promised by its feature, including durability and compact stability. Significant guidelines could be extracted from the results, which are helpful in material size, synthesis, selection, and configuration design for various energy storage gadgets. The synthesis of high performance and economical materials through green chemistry is a novel approach towards effective energy storage and alteration procedure operation.

}, keywords = {Electro catalytic, Energy storage, Oryza sativa L biochar, Pd, PdNPs and TiONPs, TiO@BC}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2023.01.182}, author = {Khasim, Syed and Dastager, Syed G. and Alahmdi, Mohammed Issa and Hamdalla, Taymour A. and Panneerselvam, Chellasamy and Makandar, Mohammad Basha} } @article {48982, title = {Novel finding: 2,4-Di-tert-butylphenol from streptomyces bacillaris ANS2 effective against mycobacterium tuberculosis and cancer cell lines}, journal = {Applied Biochemistry and Biotechnology }, volume = {195}, year = {2023}, month = {NOV}, pages = {6572-6585}, type = {Article}, abstract = {

The aim of the present study is to identify actinobacteria Streptomyces bacillaris ANS2 as the source of the potentially beneficial compound 2,4-di-tert-butylphenol, describe its chemical components, and assess its anti-tubercular (TB) and anti-cancer properties. Ethyl acetate was used in the agar surface fermentation of S. bacillaris ANS2 to produce the bioactive metabolites. Using various chromatographic and spectroscopy analyses, the potential bioactive metabolite separated and identified as 2,4-di-tert-butylphenol (2,4-DTBP). The lead compound 2,4-DTBP inhibited 78\% and 74\% of relative light unit (RLU) decrease against MDR Mycobacterium tuberculosis at 100ug/ml and 50ug/ml concentrations, respectively. The Wayne model was used to assess the latent/dormant potential in M. tuberculosis H37RV at various doses, and the MIC for the isolated molecule was found to be 100ug/ml. Furthermore, the molecular docking of 2,4-DTBP was docked using Autodock Vinasuite onto the substrate binding site of the target Mycobacterium lysine aminotransferase (LAT) and the grid box was configured for the docking run to cover the whole LAT dimer interface. At a dosage of 1 mg/ml, the anti-cancer activity of the compound 2,4-DTBP was 88\% and 89\% inhibited against the HT 29 (colon cancer) and HeLa (cervical cancer) cell lines. According to our literature survey, this present finding may be the first report on anti-TB activity of 2,4-DTBP and has the potential to become an effective natural source and the promising pharmaceutical drug in the future.

}, keywords = {2, 4-Di-tert-butylphenol, anti-cancer, Anti-tubercular, Molecular docking, Streptomyces bacillaris}, issn = {0273-2289}, doi = {10.1007/s12010-023-04403-2}, author = {Kaari, Manigundan and Joseph, Jerrine and Manikkam, Radhakrishnan and Kalyanasundaram, Revathy and Sivaraj, Anbarasu and Anbalmani, Sivarajan and Murthy, Sangeetha and Sahu, Amit Kumar and Said, Madhukar and Dastager, Syed G. and Ramasamy, Balagurunathan} } @article {48750, title = {Novel shear thickening fluids possessing high shear rates using monodispersed silica nanoparticles and PEG}, journal = {Polymer Bulletin}, volume = {80}, year = {2023}, month = {DEC}, pages = {13069-13098}, type = {Article}, abstract = {

Higher shear rate possessing homogeneous shear thickening fluids were synthesized using monodispersed silica nanoparticles and polyethylene glycol (PEG). Novel homogeneous methodology was developed for the synthesis of shear thickening fluids using monodispersed silica nanoparticles and PEG. Shear rate of shear thickening fluids (STF) was determined using rheometer at room temperature. The normal shear rate was observed in the range of 100 to 1200 s(-1), whereas higher shear rate 2000 s(-1) was obtained using monodispersed silica nanoparticles, PEG and shear rate enhancer. Monodispersed silica nanoparticles were synthesized in a typical one-pot using modified Stober{\textquoteright}s method at room temperature. Precursors were used for the synthesis of monodispersed silica nanoparticles such as tetraethyl orthosilicate (TEOS), ethanol, deionized water and ammonia as catalyst. Particle size of monodispersed silica nanoparticles was in the range of 100-1200 nm, and particle size distribution was varied from 0.000 to 0.221. Synthesis of monodispersed silica nanoparticles was studied by various parameters, namely effect of TEOS concentration, grade of ethyl alcohol, ammonia concentration and water concentration. TEOS concentration effect shows particle size and particle size distribution increases with increase in concentration of TEOS. Even though concentration of TEOS was increased up to 5 times the observation was same for all particle sizes such as 100, 300 and 500 nm. Particularly in the case of 300 nm monodispersed silica nanoparticle synthesis, as TEOS concentration was increased from 1 to 5X (5 times) the particle size was increased from 331.7, 447.8, 497.0, 512.0 and 531.7 nm and particle size distribution was 0.005, 0.000, 0.006, 0.007 and 0.089, respectively. The effect of grade of ethyl alcohol illustrates that Indian rectified spirit shows almost similar results with respect to China make ethyl alcohol. Comparative study of China and Indian rectified spirit shows silica nanoparticle size was 174.6 and 174.2 nm, and particle size distribution was 0.065 and 0.071, respectively. Ammonia concentration effect explains particle size and particle size distribution increases with increase in concentration of ammonia. Water concentration effect shows particle size and particle size distribution increases with increase in concentration of ammonia. Comparative data of water concentration effect for 1316 and 1974 mL shows particle size were 321.7 and 488.0 nm, and particle size distribution was 0.083 and 0.05, respectively, under similar conditions. Morphological studies displayed the shape of the silica nanoparticles was spherical, monodispersed and isolated. A typical TEM image of monodispersed silica nanoparticles for 500 nm was observed with extremely low polydispersity, i.e., 0.000. It is very difficult to get such a type of excellent photograph of monodispersity by Stober{\textquoteright}s method particularly on large scale. Rheology study of homogeneous shear thickening fluids studied by varying the parameters such as composition of silica nanoparticles with PEG, effect of amount of solvent, effect of refluxing time, effect of additive with respect to the mol. wt. of PEG and effect of additive such as Tannin. All these parameters of STF explored with respect to the shear rate and shear viscosity. Effect of ethanol amount on STF demonstrates the shear rate increases with increase in amount of solvent. Effect of refluxing time on STF exhibits the shear rate increases with increase in refluxing time. Effect of composition based on 500 nm monodispersed silica nanoparticles and PEG 200 with respect to 60:40, 65:35 and 70:30 composition was studied and the results predict that shear rate increases with increase in silica percentage in composition, i.e., 118, 265 and 1200 s(-1) for 60:40, 65:35 and 70:30 composition, respectively, whereas maximum viscosity decreases with increase in silica content, i.e., 2.559, 1.420 and 1.200 Pa.s for 60:40, 65:35 and 70:30 composition, respectively. Effect of additive on shear rate and shear viscosity illustrates that shear rate decreases with increase in additive percentage in composition, whereas maximum viscosity increases with increase in additive content. Effect of additives on shear rate and shear viscosity was performed using 65:35 composition with respect to PEG 200 along with PEG 6000 shows shear rate was decreased from 142 to 6.42 s(-1) and maximum viscosity was increased from 56.1 to 571.0 Pa.s when the quantity of PEG 6000 was doubled. In general, additive decreases shear rate and increases shear viscosity (maximum). But effect of Tannin as an additive on 500 nm monodispersed silica nanoparticles with PEG 200 using 70:30 composition showed enormous increase in shear rate, i.e., 2000 s(-1). This is anomalous behavior of additive was observed.

}, keywords = {Monodispersed silica nanoparticles, Nanocomposite, Polyethylene glycol, Shear rate, Shear thickening fluid}, issn = {0170-0839}, doi = {10.1007/s00289-023-04696-7}, author = {Chavan, Nayaku and Dhage, Atul and Wale, Apparav and Thorave, Asmita and Rajdeo, Kishor and Kamble, Sanjay and Ponrathnam, Surendra and Tambe, Sanjeev and Verma, Sanjeevkumar} } @article {48451, title = {Oligothiophene-ring-strapped perylene bisimides: functionalizable coaxial donor-acceptor macrocycles}, journal = {Angewandte Chemie-International Edition}, volume = {62}, year = {2023}, month = {JAN}, type = {Article}, abstract = {

Aesthetic designs from nature enable new knowledge to be gained and, at the same time, inspire scientific models. In this context, multicomponent macrocycles embody the advantage of precisely positioning the structural units to achieve efficient communication between them. However, the construction of a functionalizable macrocycle for ultrafast charge separation and stabilization has not been attempted. Herein, we report the synthesis, crystal structure, and transient absorption of a new functionalizable macrocycle consisting of an oligothiophene-ring-strapped perylene bisimide. Transient absorption results point to a sequential improvement in charge separation and stabilization from the macrocycle to the corresponding linear dimer and 2D polymer due to the unique design. Our macrocycle design with a supportive spatial arrangement of the donor and acceptor units will inspire the development of more complex synthetic systems with exciting electron-transfer and charge-separation features.

}, keywords = {Charge Separation, Donor-Acceptor Systems, Electron Transfer, Macrocycles, Perylene Bisimides}, issn = {1433-7851}, doi = {10.1002/anie.202212934}, author = {Dnyaneshwar Veer, Sairam and Chandrakant Wakchaure, Vivek and Asokan, Kiran and Dixit, Ruchi and Goswami, Tanmay and Saha, Ramchandra and Gonnade, Rajesh and Ghosh, Hirendra N. and Santhosh Babu, Sukumaran} } @article {48817, title = {Opaque cell-specific proteome of Candida albicans ATCC 10231}, journal = {Medical Mycology}, volume = {61}, year = {2023}, month = {JUL}, pages = {myad062}, type = {Article}, abstract = {

Candida albicans, a polymorphic opportunistic pathogen of humans, can exist in different morphological forms like yeast, hyphae, pseudohyphae, chlamydospores, and white and opaque cells. Proteomic analysis of opaque form of C. albicans ATCC 10231 is carried out in the present study using microflow liquid chromatography-tandem mass spectrometry and validated using expression analysis of selected genes using reverse transcription quantitative real-time PCR and mitochondrial membrane potential assay. This is the first report identifying opaque cell-specific proteins of C. albicans. A total of 188 proteins were significantly modulated under opaque form compared to white cells, of which 110 were upregulated, and 78 were downregulated. It was observed that oxidative phosphorylation (OxPhos) and oxidative stress are enhanced in C. albicans cells growing under opaque form as proteins involved in OxPhos (Atp1, Atp3, Atp16, Atp7, Cox6, Nuc2, Qcr7, and Sdh12) and oxidative stress response (Gcs1, Gtt11, Gpx2, Sod1, Ccp1, and Lys7) were significantly upregulated. The maximum upregulation of 23.16- and 13.93-fold is observed in the cases of Ccp1 and Nuc2, respectively. The downregulation of proteins, namely Als1, Csh1, Sap9, and Rho1, determining cell surface chemistry indicates modulation in cell wall integrity and reduced adhesion of opaque cells compared to white cells. This study is significant as it is the first draft of the proteomic profile of opaque cells that suggests enhanced OxPhos, oxidative stress, and modulation in cell surface chemistry indicating reduced adhesion and cell wall integrity, which could be associated with reduced virulence in opaque form. However, a deeper investigation is needed to explore it further. Lay Summary Opaque form is one of the least studied morphological forms of Candida albicans. To the best of our knowledge, this is the first report providing opaque cell-specific proteome. It suggests enhanced oxidative phosphorylation, oxidative stress, and modulation in cell surface chemistry, which could be associated with reduced virulence in opaque form.

}, keywords = {albicans, C, LC-MS, MS, opaque, Oxidative stress, OxPhos, protein}, issn = {1369-3786}, doi = {10.1093/mmy/myad062}, author = {Abdulghani, Mazen and Telang, Saraswati and Desai, Manisha and Kadam, Shivdas and Kazi, Rubina and Shelar, Amruta and Patil, Rajendra and Maurya, Radheshyam and Zore, Gajanan} } @article {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 {48811, title = {Origin of optoelectronic contradictions in 3,4-cycloalkyl[c]-chalcogenophenes: a computational study}, journal = {Polymers}, volume = {15}, year = {2023}, month = {NOV}, pages = {4240}, type = {Article}, abstract = {

The planar morphology of the backbone significantly contributes to the subtle optoelectronic features of pi-conjugated polymers. On the other hand, the atomistic tuning of an otherwise identical pi-backbone could also impact optoelectronic properties systematically. In this manuscript, we compare a series of 3,4-cycloalkylchalcogenophenes by tuning them atomistically using group-16 elements. Additionally, the effect of systematically extending these building blocks in the form of oligomers and polymers is studied. The size of the 3,4-substitution affected the morphology of the oligomers. In addition, the heteroatoms contributed to a further alteration in their geometry and resultant optoelectronic properties. The chalcogenophenes, containing smaller 3,4-cycloalkanes, resulted in lower bandgap oligomers or polymers compared to those with larger 3,4-cycloalkanes. Natural bonding orbital (NBO) calculations were performed to understand the disparity alongside the contour maps of frontier molecular orbitals (FMO).

}, keywords = {chalcogenophene, DFT calculation, Morphology, optoelectronic properties, steric effect}, doi = {10.3390/polym15214240}, author = {Masilamani, Ganesh and Krishna, Gamidi Rama and Debnath, Sashi and Bedi, Anjan} } @article {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 {48950, title = {Phenol hydrogenation to cyclohexanol catalysed by palladium supported on CuO/CeO2}, journal = {Chemistry-an asian jounrnal}, volume = {18}, year = {2023}, month = {JUN }, type = {Journal Article}, abstract = {

Hydrogenation of phenol to cyclohexanone/cyclohexanol is an important reaction in production of nylon-6, nylon-66 and in petroleum industry. Liquid phase phenol hydrogenation over Pd-CuO/CeO2 was carried out under mild conditions. Palladium impregnated over CuO/CeO2 synthesized by co-precipitation method showed excellent catalytic activity for phenol hydrogenation (99\% conversion with 80\% cyclohexanol yield) at 90 degrees C and 10 bar H-2 pressure in water. Commercial 10\%Pd/C showed only 8\% phenol conversion under identical conditions. The detailed characterization revealed significant improvement in surface area of ceria after addition of CuO and decrease in crystallite size with creation of defects in CeO2 lattice. XPS analysis showed Pd loading on CuO/CeO2 to cause hydrogen spillover on the surface leading to increase in the oxygen vacancies. The interaction of phenol with catalyst surface studied by detailed FTIR analysis, revealed activation of phenol on oxygen vacancy of ceria as phenoxide ion with perpendicular orientation of aromatic ring on catalyst surface.

}, keywords = {Cyclohexanol, Hydrogen spillover, oxygen vacancies, Pd-CuO/CeO2, phenol hydrogenation}, issn = {1861-4728}, doi = {10.1002/asia.202300119}, author = {Kasabe, Mirabai M. and Kotkar, Vaibhav R. and Dongare, Mohan K. and Umbarkar, Shubhangi B.} } @article {48976, title = {Photocatalytic C-N bond construction toward high-value nitrogenous chemicals}, journal = {Chemical Communications}, volume = {59}, year = {2023}, month = {DEC }, pages = {14341-14352}, type = {Article}, abstract = {

The construction of carbon-nitrogen bonds is vital for producing versatile nitrogenous compounds for the chemical and pharmaceutical industries. Among developed synthetic approaches to nitrogenous chemicals, photocatalysis is particularly prominent and has become one of the emerging fields due to its unique advantages of eco-sustainable characteristics, efficient process integration, no need for high-pressure H2, and tunable synthesis methods for developing advanced photocatalytic materials. Here, the review focuses on potential photocatalytic protocols developed for the construction of robust carbon-nitrogen bonds in discrepant activation environments to produce high-value nitrogenous chemicals. The photocatalytic C-N bond construction strategies and involved reaction mechanisms are elucidated. This review focuses on potential photocatalytic protocols developed for the construction of robust carbon-nitrogen bonds in discrepant activation environments to produce high-value nitrogenous chemicals.

}, issn = {1359-7345}, doi = {10.1039/d3cc04771g}, author = {Li, Jie and Liu, Tengyu and Singh, Nittan and Huang, Zhuochun and Ding, Yan and Huang, Jinshu and Sudarsanam, Putla and Li, Hu} } @article {48785, title = {Photogating induced high sensitivity and speed from heterostructure of few-layer MoS2 and reduced graphene oxide-based photodetector}, journal = {Physical Chemistry Chemical Physics}, volume = {25}, year = {2023}, month = {NOV}, pages = {30419-30427}, type = {Article}, abstract = {

Over the past few years, two-dimensional transition metal dichalcogenides (2D-TMDC) have attracted huge attention due to their high mobility, high absorbance, and high performance in generating excitons (electron and hole pairs). Especially, 2D molybdenum disulfide (MoS2) has been extensively used in optoelectronic and photovoltaic applications. Due to the low photo-to-dark current ratio (I-photo/dark) and low speed, pristine MoS2-based devices are unsuitable for these applications. So, they need some improvements, i.e., by adding layers or decorating with materials of complementary majority charges. In this work, we decorated pristine MoS2 with reduced graphene oxide (rGO) and got improved dark current, I-photo/dark, and response time. When we compared the performance of pristine MoS2 based device and rGO decorated MoS2 based device, the rGO/MoS2-based device showed an improved performance of responsivity of 3.36 A W-1, along with an I-photo/dark of about 154. The heterojunction device exhibited a detectivity of 4.75 x 10(12) Jones, along with a very low response time of 0.184 ms. The stability is also outstanding having the same device performance even after six months.

}, issn = {1463-9076}, doi = {10.1039/d3cp03518b}, author = {Das, Chayan and Kumar, Ashok and Kumar, Suresh and Dambhare, Neha V. and Kumar, Mahesh and Rath, Arup K. and Sahu, Satyajit} } @article {48328, title = {Photoplethysmograph based arrhythmia detection using morphological features}, journal = {Biomedical Signal Processing and Control}, volume = {81}, year = {2023}, month = {MAR}, pages = {104422}, type = {Article}, abstract = {

Photoplethysmography (PPG) is a non-invasive optical technique that is used for the detection of cardiovascular diseases. The paroxysmal nature of arrhythmic events and the lack of timely recorded data emphasize the need to develop an automated method for the identification of arrhythmias. The literature shows the detection of a single type of arrhythmia using PPG. However, limited research has been carried out for the detection of multiple types of arrhythmia. In this research work, a new set of morphological features have been proposed for the automated detection of multiple arrhythmias using rule-based and statistical learning-based approaches. The proposed work has been implemented on the retrospective dataset and validated on the prospective dataset. The results show that the rule-based arrhythmia detection method is equipollent to the statistical learning approach with an accuracy of 98.43\%/94.16\% on the retrospective dataset and 94.16\%/93\% on the prospective dataset.

}, keywords = {Arrhythmia, Machine learning algorithms, Photoplethysmography, Signal processing}, issn = {1746-8094}, doi = {10.1016/j.bspc.2022.104422}, author = {Neha and Sardana, H. K. and Kanawade, R. and Dogra, N.} } @article {47411, title = {Poly-gamma-glutamic acid biopolymer: a sleeping giant with diverse applications and unique opportunities for commercialization}, journal = {Biomass Conversion and Biorefinery}, year = {2023}, month = {APR}, type = {Review}, abstract = {

Poly-gamma-glutamic acid (gamma-PGA) is a biodegradable, non-toxic, ecofriendly, and non-immunogenic biopolymer. Its phenomenal properties have gained immense attention in the field of regenerative medicine, the food industry, wastewater treatment, and even in 3D printing bio-ink. The gamma-PGA has the potential to replace synthetic non-degradable counterparts, but the main obstacle is the high production cost and lower productivity. Extensive research has been carried out to reduce the production cost by using different waste; however, it is unable to match the commercialization needs. This review focuses on the biosynthetic mechanism of gamma-PGA, its production using the synthetic medium as well as different wastes by L-glutamic acid-dependent and independent microbial strains. Furthermore, various metabolic engineering strategies and the recovery processes for gamma-PGA and their possible applications are discussed. Finally, highlights on the challenges and unique approaches to reduce the production cost and to increase the productivity for commercialization of gamma-PGA are also summarized.

}, keywords = {Commercialization, Multi-nutritious, Poly-gamma-glutamic acid, Waste valorization}, issn = {2190-6815}, doi = {10.1007/s13399-021-01467-0, Early Access Date = APR 2021}, author = {Nair, Pranav and Navale, Govinda R. and Dharne, Mahesh S.} } @article {48805, title = {Polymerized stimuli-responsive microgels for the removal of organic dye from water}, journal = {Journal of Molecular Liquids}, volume = {375}, year = {2023}, month = {APR }, pages = {121267}, type = {Article}, abstract = {

Polymerized hydrogel materials (PGM) containing uniform-sized stimuli-responsive microgel particles could be promising alternatives for solution-based microgels to remove organic dyes from water. In the current work, PGM is prepared using Poly(N-isopropylacrylamide-co-acrylic acid) based anionic microgels and their ability for uptake and release studies with an oppositely charged dye, methylene blue (MB) is carried out using UV-vis spectroscopy. The mechanism of dye adsorption is understood at a single particle level using light scattering, and zeta potential and the contributions from different molecular interactions among dye molecules and constituting entities of microgels are obtained from molecular docking studies. The maximum dye uptake by PGM is around 80 \% in the swollen state (at pH 7 and 20 degrees C). In contrast, the dye release studies in the deswollen state (at pH 3 and 50 degrees C) show a decrease in the release efficiency from 87 \% to 63 \% of the total dye adsorbed in 4-repeated cycles. The adsorption isotherm follows a sigmoidal (S) model that has been majorly used in different multi-layer adsorption systems. Extensive dynamic and static light scattering studies demonstrate a deswelling of hydrody-namic radius and core-shell radius of microgels at low temperatures (20 degrees C) induced by dye adsorption. At higher temperatures, the dye-adsorbed microgels have a higher hydrodynamic radius than the pure microgels due to the remaining dye molecules within the microgel that do not release even in the deswollen state. Molecular docking studies show that electrostatic interaction dominates between COO- and MB and van der Waals/hydrophobic dominates for MB-NIPAM and MB-COOH docking complex respectively. Our work covering adsorption/desorption properties of the material to the single-particle level can provide a better understanding in formulating reusable smart materials for the remediation of different water pollutants.(c) 2023 Elsevier B.V. All rights reserved.

}, keywords = {dynamic light scattering, Molecular docking, PNIPAM microgels, Removal of organic pollutants, Stimuli -responsive microgels}, issn = {0167-7322}, doi = {10.1016/j.molliq.2023.121267}, author = {Pany, Biswajit and Majundar, Amrito Ghosh and Mohanty, Madhuchhanda and Fyis, K. P. and Dey, Tanima and Tripathy, Gautam and Bhat, Suresh and Yamanaka, Junpei and Mohanty, Priti S.} } @article {48800, title = {Possible handle for broadening the catalysis regime towards low temperatures: proof of concept and mechanistic studies with CO oxidation on surface modified Pd-TiO2}, journal = {Physical Chemistry Chemical Physics}, volume = {25}, year = {2023}, month = {AUG }, pages = {22040-22054}, type = {Article}, abstract = {

The present work demonstrates the effect of temperature-dependent surface modification (SM) treatment and its influence in broadening the catalysis regime with Pd-TiO2 catalysts prepared by various methods. Due to SM induced changes, a shift in the onset of CO oxidation activity as well as broadening of the oxidation catalysis regime by 30 to 65 K to lower temperatures is observed compared to the temperature required for virgin counterparts. SM carried out at 523 K for Pd-Photo-TiO2 exhibits the lowest onset (10\% CO2 production - T-10) and T-100 for CO oxidation at 360 and 392 K, respectively, while its virgin counterpart shows T-10 and T-100 at 393 and 433 K, respectively. The SMd Pd-TiO2 catalysts were investigated using X-ray photoelectron spectroscopy (XPS), ultra-violet photoelectron spectroscopy (UPS) and atomic force microscopy (AFM). It is observed that diffusion of atomic oxygen into Pd-subsurfaces leads to SM and changes the nature of the surface significantly. These changes are demonstrated by work function (\& phi;), surface potential, catalytic activity, and correlation among them. UPS results demonstrate the maximum increase in \& phi; by 0.5 eV for Pd-Photo-TiO2 after SM, compared to all other catalysts. XPS study shows a moderate to severe change in the oxidation states of Pd due to atomic oxygen diffusion into the subsurface layers of Pd. Kelvin probe force microscopy (KPFM) study also reveals corroborating evidence that the surface potential increases linearly with increasing temperature deployed for SM up to 523 K, followed by a marginal decrease at 573 K. The \& phi; measured by KPFM and UPS shows a similar trend and correlates well with the changes in catalysis observed. Our results indicate that there is a strong correlation between surface physical and chemical properties, and \& phi; changes could be considered as a global marker for chemical reactivity.

}, issn = {1463-9076}, doi = {10.1039/d3cp01122d}, author = {Mhamane, Nitin B. B. and Panchal, Suresh and Kolekar, Sadhu K. K. and Ranjan, Ravi and Salgaonkar, Kranti N. N. and Burange, Anand S. S. and Nalajala, Naresh and Datar, Suwarna and Gopinath, Chinnakonda S. S.} } @article {48789, title = {Promoting effect of titanium on C-O hydrogenolysis of erythritol to 1,4-butanediol over Pt/W/Ti-SBA-15 catalysts}, journal = {Applied Catalysis A-General}, volume = {666}, year = {2023}, month = {SEP }, pages = {119425}, type = {Article}, abstract = {

The C-O hydrogenolysis of erythritol was investigated using Pt/W/Ti-SBA-15 catalysts (4 wt\% Pt, 1 wt\% W and Si/Ti molar ratio = 50, 33, 20 and 10). Ti-incorporation enhanced the hydrogenolysis activity and the yield of 1,4-butanediol (1,4-BDO). A catalyst with Si/Ti = 20 afforded erythritol conversion of 94 mol\% with 1,4-BDO yield of 32.6 mol\% and total BDOs yield of 51.7 mol\% at 190 degrees C, 50 bar H2 and 12 h. For the catalyst with no titanium (Pt/W/SBA-15), a double the time was required to achieve such yield. There observed electronic connectivity amongst Ti, Pt and W. For the catalyst with Si/Ti = 20, a greater amount of interfacial Pt-O-W(Ti) sites with Pt in + 2 oxidation state was present. The enhanced catalytic performance of these catalysts was corresponded to dispersed Pt (that facilitate hydrogen activation and spillover) and acidic interfacial Pt-O-W sites (that promote the adsorption and hydrogenolysis of erythritol to diols).

}, keywords = {Biomass conversion, Erythritol, Hydrogenolysis, Polyols, Promotional effect of Ti, Terminal diol, Ti-SBA-15-supported Pt/W catalysts}, issn = {0926-860X}, doi = {10.1016/j.apcata.2023.119425}, author = {Bhowmik, Susmita and Akula, Venugopal and Sethia, Govind and Marimuthu, Banu and Darbha, Srinivas} } @article {48703, title = {Radical cascade cyclization of unactivated alkene-tethered indoles with aryldiazonium salt and sodium metabisulfite to access Azo- and Sulfonylated-2,3-Dihyro-1H-pyrrolo[1,2-a]indoles}, journal = {Journal of Organic Chemistry}, volume = {88}, year = {2023}, month = {JUN}, pages = {9123-9129}, type = {Article}, abstract = {

A method for the construction ofheterocyclic scaffold2,3-dihyro-1H-pyrrolo[1,2-a]indolesvia arylsulfonylradical-triggered cascade cyclization of unactivated alkene-tetheredindoles in the absence of any external photocatalyst has been developed.This protocol features easily accessible starting materials such assodium metabisulfite and aryldiazonium tetrafluoroborates at roomtemperature and offers good functional group compatibility, enablingthe introduction of various functionalized sulfonyl and azo groupsinto pyrrolo[1,2-a]indoles.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.3c00759}, author = {Kumar, Pawan and Rai, Archana and Kumar, Manish and Krishna, Gamidi Rama and Das, Utpal} } @article {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 {48973, title = {Rhizospheric bacillus spp. exhibit miticidal efficacy against oligonychus coffeae (Acari: Tetranychidae) of tea}, journal = {Microorganisms}, volume = {11}, year = {2023}, month = {NOV}, pages = {2691}, type = {Article}, abstract = {

Oligonychus coffeae (Acari: Tetranychidae), popularly known as red spider mite (RSM) is one of the major pests of commercial tea (Camellia sinensis (L.) O. Kuntze) plantation world over. Many attempts have been made in the past to control this devastating pest using a variety of microbial bioagents, however, area-wise field success is very limited. We carried out an in vitro study to explore the potential of rhizospheric Bacillus spp. (B. amyloliquefaciens BAC1, B. subtilis LB22, and B. velezensis AB22) against O. coffeae through adulticidal and ovicidal activity. The 100\% adult and egg mortality was observed with bacterial suspension (1 x 10(9 )CFU/mL) by B. velezensis AB22, showing the lowest LC50 values for both adults and eggs of O. coffeae, i.e., 0.28 x 10(5) and 0.29 x 10(5), respectively. The study also throws some insights into the underlying mechanism through electron microscopy study and identification of some putative pesticidal metabolites from all the species. The three Bacillus species were observed to have four commonly secreted putative bioactive secondary metabolites, brevianamide A, heptadecanoic acid, thiolutin, and versimide responsible for their bio-efficacy against O. coffeae. The outcome of our study provides a strong possibility of introducing Bacillus spp. as a biological miticide and developing synthetic metabolites mimicking the mechanistic pathway involved in microbial bioefficacy.

}, keywords = {Bacillus spp., Biocontrol, organic tea, Secondary metabolites}, doi = {10.3390/microorganisms11112691}, author = {Bora, Popy and Gogoi, Sukanya and Deshpande, Mukund Vinayak and Garg, Pankaj and Bhuyan, Rana P. and Altaf, Nilofar and Saha, Nikita and Borah, Sapna Mayuri and Phukon, Mousumi and Tanti, Nabajit and Saikia, Bishal and Ahmed, Shenaz Sultana and Borah, Sanjib Ranjan and Dutta, Ashish and Sarmah, Bidyut Kumar} } @article {48478, title = {Role of ions and their transporters in combating salt stress in Pandanus odorifer (Forssk.) Kuntze}, journal = {Acta Physiologiae Plantarum}, volume = {45}, year = {2023}, month = {MAY}, pages = {66}, type = {Article}, abstract = {

Soil salinity is a major environmental constraint causing huge losses in crop production. Pandanus odorifer (Forssk.) Kuntze is an aromatic monocot plant species belonging to the family Pandanaceae, which grows naturally on the saline soils along the coasts of Asia, Southeast Asia, and Polynesia. The plants are dioecious and highly fertile, and the consistent saline sprays, strong winds, and severe soil salinity hardly affect their growth and fertility. Hence, understanding the mechanism of high salinity tolerance in P. odorifer could provide major advances in overcoming salinity stress in crop plants. In the present study, we analyzed control (0 M NaCl) and treated (1 M NaCl treatment for 3 weeks) plants of P. odorifer to understand the role of ion distribution, ion transport, and related mechanisms under salt stress. Using a combination of ionomics and transcriptomics approaches, we identified the molecular mechanisms contributing to the high salinity stress in P. odorifer. Under NaCl stress, there was a significant increase in Na, Cl, and other ions in leaves, while the concentrations of Si, Fe, Ni, and Ti decreased. Similarly, in roots, the levels of Na, Mg, Cd, and Cr were significantly high, while the levels of other ions decreased. Most of the genes related to ion transport and homeostasis, such as NHX1, CLC-C, SOS1, HAK, and ABC transporters, were upregulated in 1 M NaCl stress conditions. This study revealed that vacuolar sequestration of Na+ and the distribution of ions in the roots and shoots play significant roles in the salt-stress tolerance mechanism of P. odorifer.

}, keywords = {Ion transport, Ionomics, Pandanus, Salinity tolerance, Transcriptomics, Vacuolar sequestration}, issn = {0137-5881}, doi = {10.1007/s11738-023-03541-8}, author = {Rashmi, Deo and Ansari, Waquar A. and Kadoo, Narendra Y. and Barvkar, Vitthal T. and Deshmukh, Rupesh and Nadaf, Altafhusain B.} } @article {48462, title = {Scalable optical fiber reactor for photocatalytic H2 production: addressing scattering issues}, journal = {International Journal of Hydrogen Energy}, volume = {48}, year = {2023}, month = {MAY}, pages = {17086-17096}, type = {Article}, abstract = {

Scattering is one of the main challenges in scaling up photocatalytic water splitting using the most prevalent powder catalysts. This can be overcome by decoupling the reaction medium from light transmission, as in the case of optical fibers. Here we explore utilizing optical fibers coated with 5 wt\% CuO supported on TiO2 for photocatlytic H2 production from water-methanol mixtures. CuO/TiO2 is a well studied photo catalyst in which photoreduced Cu species are known to act as sensitizers for inducing visible light activity. Lower activity of sequentially coated systems indicates that appropriate interfaces of active Cu and TiO2 with water are desirable. The scalability of such optical fiber-based systems along with potential in non-potable turbid water media are demonstrated. Maximum activity of 22 mmoles of H2 in 8 h was obtained with 50 mg of catalyst coated on optical fibers, which increases linearly with increase in fiber numbers, whereas, drastic reduction in activity is observed in powder catalyst upon increasing the catalyst quantity. A one-to-one comparison of 700 mg of catalyst in powder form and coated on optical fibers indicates more than one order enhancement in activity in the optical fiber based system. In addition, -70\% retention in activity in highly turbid non-potable water was observed as compared to powdered system which shows complete reduction in the activity by 99.99\%. (c) 2023 Hydrogen Energy Publications LLC. Published by Elsevier Ltd. All rights reserved.

}, keywords = {CuO, Optical fibers, photocatalytic water splitting, TiO2, Total internal reflection, Visible light utilisation}, issn = {0360-3199}, doi = {10.1016/j.ijhydene.2023.01.148}, author = {Walko, Priyanka S. and Devi, R. Nandini} } @article {48674, title = {Selective and robust Ru catalyst for the aqueous phase aerobic oxidation of furfural to 2-furoic acid}, journal = {ACS Applied Materials \& Interfaces}, volume = {15}, year = {2023}, month = {SEP }, pages = {47004-47015}, type = {Article}, abstract = {

Synthesis of 2-furoic acid (FURA) via oxidation of furfural (FAL) is vital in evolving the biorefinery concept as FURA has numerous important applications in the pharmaceuticals and optic areas. Though few works on this reaction are done, those are marred with shortcomings such as the nonrecyclability of catalyst, dilute solutions, lower yields, or use of H2O2 as an oxidizing agent. Herein, we report catalytic aqueous phase oxidation of FAL to FURA using molecular oxygen as an oxidizing agent. For the synthesis of FURA, various catalysts with a combination of metal (Pt, Pd, Ru) and supports (carbon, Al2O3) were prepared and characterized by multiple techniques (X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), Brunauer-Emmett-Teller (BET), X-ray photoelectron spectroscopy (XPS)). Oxidation of FAL carried out over 5 wt \% Ru/C catalyst in the presence of Na2CO3 yielded 83\% of FURA at 120 degrees C and 15 bar oxygen pressure. The catalyst could show potential for reusability as similar activity was achieved after subjecting the spent catalyst to mild reduction treatment (150 degrees C). Studies on the effects of temperature, pressure, and time could help accomplish enhanced yields of FURA. Additionally, learning about the effect of base (weak/strong/solid) revealed that due to the weak basicity of Na2CO3, higher yields could be achieved by maintaining approximately a pH of 11, which is optimal for suppressing side reactions. Under the given conditions, FURA is stable (\>90\%) and also adsorption studies divulge that it is immediately removed from the catalyst surface, and hence higher yields could be achieved in our catalytic system. Using the initial rates methodology, an activation energy of 21.91 kJ mol(-1) was derived and also a high turn over frequency (TOF) (85.9 h(-1)) was observed under optimized conditions.

}, keywords = {2-furoic acid (FURA), Biomass conversion, furfural (FAL), heterogeneous catalyst, Oxidation, ruthenium on carbon etc}, issn = {1944-8244}, doi = {10.1021/acsami.3c09965}, author = {Lokhande, Priya and Dhepe, Paresh L.} } @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 {48738, title = {Six-membered NHC stabilized monomeric zinc complexes}, journal = {European Journal of Inorganic Chemistry}, volume = {26}, year = {2023}, month = {JUL}, pages = {e202300167}, type = {Article}, abstract = {

This paper describes the rare use of a 6-membered saturated N-heterocyclic carbene (NHC) known as 1,3-di(2,6-diisopropylphenyl) tetrahydropyrimidine-2-ylidene (abbreviated as 6-SI-Dipp) as a ligand in zinc chemistry. We report on the investigation of the reactions between 6-SI-Dipp and ZnX2, which resulted in a range of new monomeric 6-SIDipp center dot ZnX2 complexes (X=Et (1), Cl (2), Br (3), and I (4)). We also prepared a new NHC zinc complex where the two substituents of the zinc atom are different, 6-SIDipp center dot Zn(Et)Br (7) through the reaction of the proligand [6-SIDippH]Br with ZnEt2. We have observed that the reactions of complex 1 with sulfur and HBpin led to the removal of the ZnEt2 moiety, resulting in the formation of a C=S double bond and a B H activation product, respectively. Lastly, the reaction of 1 with five-membered NHCs led to the exchange of carbene and the formation of either 5-IDipp center dot ZnEt2 (8) or 5-SIDipp center dot ZnEt2 (9).

}, keywords = {Lewis adduct, NHC, X-ray diffraction, zinc}, issn = {1434-1948}, doi = {10.1002/ejic.202300167}, author = {Gour, Kritika and Kundu, Gargi and Dash, Soumya Ranjan and Vanka, Kumar and Tothadi, Srinu and Sen, Sakya S.} } @article {48297, title = {Size does matter: antibacterial activities and cytotoxic evaluation of polymorphic CuO nanostructures}, journal = {Journal of Materials Science}, volume = {58}, year = {2023}, month = {FEB}, pages = {2782-2800}, type = {Article}, abstract = {

Nanostructured materials play a significant role in antibacterial activities. However, understanding the geometrical influence at the nanoscale in terms of size- and shape-correlated physical properties on antibacterial activities is very essential. Herein, we report the antibacterial influence of various copper oxide nanostructures (CuO NS) such as nanoparticles (NPs) (\< 10 nm), nanospheres (NSs) (50-100 nm), and porous nanoflowers (NFs) (asymptotic to 350 nm). The XRD confirmed the crystalline nature of CuO NPs without impurities. The antibacterial activities of CuO NPs were investigated by the microplate dilution method and confocal laser scanning microscopic (CLSM) imaging. NPs having a diameter less than 10 nm exhibited significant damage to the bacterial cell membrane than NSs and NFs. Interestingly, NPs illustrated relatively low antibacterial activity against Gram-negative bacteria (Pseudomonas aeruginosa and Acinetobacter baumannii) than Gram-positive bacteria (Staphylococcus aureus and Staphylococcus epidermidis). Acinetobacter baumannii was found to be more susceptible to the NPs than other bacterial strains, attributed to its increased membrane permeability. The death phase was observed at a concentration of 15.6 mu g mL(-1) and 3.9 mu g mL(-1) for P. aeruginosa and A. baumannii, respectively, when treated with CuO NP after the 8 h of incubation. Similarly, for S. aureus and S. epidermidis, the death phase was observed at the concentration of 31.2 mu g mL(-1) and 250 mu g mL(-1), respectively. Furthermore, as the cell cytotoxicity measurements against human fibroblast L9239 cells revealed that CuO NPs were safe. The morphological and cell viability assay demonstrated 100\% cell survival, when treated with NPs and NSs (5, 10, and 25 mu g mL(-1)), signifies no cytotoxicity. Therefore, CuO nanoparticles can be used for clinical and therapeutic applications.

}, issn = {0022-2461}, doi = {10.1007/s10853-023-08157-4}, author = {Desai, Dnyanada G. and Navale, Govinda R. and Late, Dattatray J. and Dharne, Mahesh S. and Walke, Pravin S.} } @article {48831, title = {Solvation structure and dynamics of a small ion in an organic electrolyte}, journal = {Journal of Photochemistry and Photobiology A-Chemistry}, volume = {440}, year = {2023}, month = {JUN}, pages = {114666}, type = {Article}, abstract = {

Organic carbonates are commonly used as electrolytes in commercial lithium-ion batteries. A detailed interpretation of the solvation structure and dynamics of the electrolyte around ions is necessary to understand the charge/discharge process in batteries. This work combines infrared absorption spectroscopy with quantum chemical calculations and molecular dynamics simulations to decipher the solvation structure of propylene carbonate, a cyclic carbonate, around the dissolved thiocyanate ion. Two dimensional infrared spectroscopy and polarization-selective pump probe spectroscopies have been utilized to extract the timescales of solvent fluctuation and the solute reorientational dynamics. The similarity in the slow timescales for the solute and the solvent dynamics signifies that similar processes control both dynamics.

}, issn = {1010-6030}, doi = {10.1016/j.jphotochem.2023.114666}, author = {Kore, Shivshankar and Sahoo, Rudhi Ranjan and Santra, Binit and Sarkar, Archishman and Chowdhury, Tubai and Deshmukh, Samadhan H. and Hazarika, Sulagna and Chatterjee, Srijan and Bagchi, Sayan} } @article {48322, title = {Spatio-temporal variation of the microbiome and resistome repertoire along an anthropogenically dynamic segment of the Ganges River, India}, journal = {Science of the Total Environment}, volume = {872}, year = {2023}, month = {MAY}, pages = {162125}, type = {Article}, abstract = {

Aquatic ecosystems are regarded as a hub of antibiotic and metal resistance genes. River Ganges is a unique riverine system in India with socio-cultural and economic significance. However, it remains underexplored for its microbiome and associated resistomes along its anthropogenically impacted course. The present study utilized a nanopore sequenc-ing approach to depict the microbial community structure in the sediments of the river Ganges harboring antibiotic and metal resistance genes (A/MRGs) in lower stretches known for anthropogenic impact. Comprehensive microbiome analyses revealed resistance genes against 23 different types of metals and 28 classes of antibiotics. The most dominant ARG category was multidrug resistance, while the most prevalent MRGs conferred resistance against copper and zinc. Seasonal differences dismally affected the microbiota of the Ganges. However, resistance genes for fosmidomycin and tetracycline varied with season ANOVA, p \< 0.05. Interestingly, 333 and 334 ARG subtypes were observed at all the locations in pre-monsoon and post-monsoon, respectively. The taxa associated with the dominant ARGs and MRGs were Pseudomonas and Burkholderia, which are important nosocomial pathogens. A substantial phage diversity for pathogenic and putrefying bacteria at all locations attracts attention for its use to tackle the dissemination of antibiotic and metal-resistant bacteria. This study suggests the accumulation of antibiotics and metals as the driving force for the emergence of resistance genes and the affiliated bacteria trafficking them. The present metagenomic as-sessment highlights the need for comprehensive, long-term biological and physicochemical monitoring and mitigation strategies toward the contaminants associated with ARGs and MRGs in this nationally important river.

}, keywords = {Antibiotics (ARGs), Bacteriophages, Heavy metals (MRGs), Metagenomics, Microbiome, River Ganges}, issn = {0048-9697}, doi = {10.1016/j.scitotenv.2023.162125}, author = {Samson, Rachel and Rajput, Vinay and Yadav, Rakeshkumar and Shah, Manan and Dastager, Syed and Khairnar, Krishna and Dharne, Mahesh} } @article {48452, title = {Speed breeding opportunities and challenges for crop improvement}, journal = {Journal of Plant Growth Regulation}, volume = {42}, year = {2023}, month = {JAN}, pages = {46-59}, type = {Article}, abstract = {

Crop improvement in light of the rapidly changing climate and the increasing human population continues to be one of the primary concerns for researchers across the globe. The rate at which current crop improvement programs are progressing is essentially inadequate to meet the food demand. There is an urgent need for redesigning the crops for climate resilience and sustainable yield and nutrition. The rate of crop improvement is largely impeded owing to the long generation time taken by crop plants during the breeding process. As a solution in this direction, speed breeding is now being practiced at a large scale to reduce generation time to accommodate multiple generations of crops per year. To enhance the efficiency of breeding, researchers are now adopting an integrated approach where speed breeding is used along with modern plant breeding and genetic engineering technologies. In the present review, we have summarized the technological aspects, opportunities, and limitations associated with speed breeding. The application of speed breeding such as mapping population development, haplotype-based breeding, transgenic breeding, and genome-edited line advancement has also been discussed. Speed breeding is a promising technology that expedites the goals of food and industrial crop improvement by reducing the breeding cycles for establishing nutritional security and sustainable agriculture.

}, keywords = {Genome editing, Genomic selection, Haplotype breeding, Speed breeding, Transgenic breeding}, issn = {0721-7595}, doi = {10.1007/s00344-021-10551-8}, author = {Sharma, Shivani and Kumar, Amit and Dhakte, Priyanka and Raturi, Gaurav and Vishwakarma, Gautam and Barbadikar, Kalyani M. and Das, B. K. and Shivaraj, S. M. and Sonah, Humira and Deshmukh, Rupesh} } @article {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 {48724, title = {Sustainable and cleaner production of poly-gamma-glutamic acid (γ-PGA) biopolymer using floral waste and its anti-staling properties}, journal = {Journal of Cleaner Production}, volume = {425}, year = {2023}, month = {NOV }, pages = {138709}, type = {Article}, abstract = {

The framework of sustainable development (SD) hinges on 17 different ideals established by the United Nations. This call for SD can be addressed by the circular bio-economy concept, which not only ensures effective waste management but also encourages its valorization and repurposing, hence fostering both ecological and economic stability. One-third of the world{\textquoteright}s floral production is in jeopardy, and because there are no potential solutions for sustaining floral waste, it inevitably ends up in landfills and riverine systems, which is detrimental to the environment. Therefore, in the present study, floral waste that was destined for landfills or water bodies was productively valorized to poly gamma glutamic acid (gamma-PGA), a high value biopolymer, with a yield of 40 g/L and productivity of 1.6 g/L/h employing an L-glutamic acid (L-GA) independent feeding approach. When gamma-PGA was coated onto Vitis vinifera grapes, it exhibited excellent moisture retention, reduced microbial contamination, and preserved the grapes{\textquoteright} aesthetic characteristics and nutrient content. The weight loss study demonstrated that grapes coated with 1\% and 2\% gamma-PGA experienced significantly lower weight loss (13\% and 14\% respectively) compared to the control group (21.6\%). Moreover, a 5-min dip coating time proved to be the most effective in reducing weight loss to 12.43\%. Over a period of 14 days, the control group exhibited a remarkably high weight loss (41\%) in contrast to the treated group, which showed significantly lower weight loss (16\%). Our work is a fine example of how the circular bio-economy and waste valorization may be used to achieve the long-term objectives of sustainable development, economic stability, and food security.

}, keywords = {Bio-economy, Floral waste, L-GA independent, Poly-gamma-glutamic acid, Valorization}, issn = {0959-6526}, doi = {10.1016/j.jclepro.2023.138709}, author = {Nair, Pranav G. and Dharne, Mahesh S.} } @article {48832, title = {Synthesis, characterization, crystal structure, in silico and computational studies on a novel Schiff base derived from α-chlorocinnamaldehyde and 4-aminoantipyrine}, journal = {Journal of Molecular Structure}, volume = {1289}, year = {2023}, month = {OCT}, pages = {135928}, type = {Article}, abstract = {

Schiff base, 4-(((1E,2Z)-2-chloro-3-phenylallylidene)amino)-1,5-dimethyl-2-phenyl-1,2 -dihydro-3H-pyrazol-3-one (1) was synthesized by condensation reaction of 4-aminoantipyrine and \& alpha;-chlorocinnamaldehyde. The compound was characterized using Fourier-transform infrared spectroscopy (FT-IR), ultraviolet (UV)-visible spectroscopy, proton and carbon nuclear magnetic resonance spectroscopy (1H/13C NMR) and single-crystal X-ray diffraction analysis (SC-XRD). Density functional theory (DFT) was used to compute molecular parameters and also compared them with experimental data. The X-ray diffraction data revealed that the compound crys-tallizes as a monoclinic crystal system with a space group of C2/c and Z = 8, and is stabilized by C12-H12MIDLINE HORIZONTAL ELLIPSISO1, and C8-H8AMIDLINE HORIZONTAL ELLIPSISO1 intramolecular hydrogen bonds. The presence of a distinctive azomethine C = N bond length N3-C12 of 1.283(3) \& ANGS;, and 1640 cm-1 stretching vibration in the FT-IR spectrum are evidence of the formation of a Schiff base. The computational result indicates that the ionization energy (IE), and electron affinity (EA) values for the molecule are 4.025 and 2.110 eV, respectively. The positive value of EA suggests that the addition of an electron to the molecule would be an exothermic process. The evaluated energy is relatively low and is an expression of the ease of electron transfer from the highest occupied molecular orbital (HOMO) to the lowest unoccupied molecular orbital (LUMO). Hirsfeld surface map over dnorm and curvedness surface indicated the presence of 7C-7C stacking while the shape factor index suggests donor and acceptor intermolecular C-H-7C. Analysis of Hirsfeld surfaces concerning the fingerprint indicated a minimal contribution from the de -di pair and reveals H{\textendash}H as a major contribution to the Hirsfeld surface. However, the molecular packing did not confirm H{\textendash}H as a significant contributor the packing. Docking calculations on the compound showed average theoretical binding energies toward aromatase (-5.99 \& PLUSMN; 0.34 kcal/mol) and fibroblast growth factor receptor (FGFR) (-17.57 \& PLUSMN; 6.85 kcal/mol), indicating binding interactions with both protein targets.

}, keywords = {Computational studies, molecular modeling, Schiff base, X-ray crystallography}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2023.135928}, author = {Adimudo, Hillary Chijioke and Agu, Chidike Justus and Okenyeka, Obinna U. and Eddy, Nnabuk O. and Dim, Ebubechukwu Nnamdi and Dege, Necmi and Bonardd, Sebastian and Vanka, Kumar and Ibezim, Akachukwu and Idika, Digbo Iku and Diaz, David Diaz and Obasi, Nnamdi Lawrence} } @article {48713, title = {Synthesis of N-functionalized 2,3-disubstituted benzofurans/naphthofurans from para-quinone methides and isocyanides via the [4+1] annulation pathway}, journal = {Organic Chemistry Frontiers}, volume = {10}, year = {2023}, month = {JUL}, pages = {3746-3751}, type = {Article}, abstract = {

A scandium triflate catalyzed [4 + 1] cycloaddition reaction of 2-hydroxy-substituted para-quinone methides and isocyanides has been developed. This operationally simple, efficient and practical protocol provides straightforward access to a variety of N-functionalized 2,3-disubstituted benzofuran/naphthofuran derivatives with broad functional group compatibility and good scalability.

}, issn = {2052-4129}, doi = {10.1039/d3qo00048f}, author = {Kale, Someshwar B. and Kumar, Manish and Shinde, Dinesh R. and Krishna, Gamidi Rama and Das, Utpal} } @article {48977, title = {Synthesis of novel rhodamine type anthrone Spiro-lactam (ASL) analogues and evaluation of antiviral activity against dengue and chikungunya viruses}, journal = {European Journal of Medicinal Chemistry }, volume = {261}, year = {2023}, month = {DEC }, type = {Article}, abstract = {

A series of Rhodamine type Anthrone-Spirolactam (ASL) derivatives Benzylimin-Anthrone-Spirolactam (ASL-1 to ASL-10) and Benzamide-Anthrone-Spirolactam (ASL-11 and ASL-12) were synthesized via a simple condensation reaction between Anthrone Spiro-lactamine (2) and various aromatic aldehyde and acyl chlorides respectively. Since rhodamine-based compounds were reported to have antiviral activity, the ASL derivatives were examined for in vitro antiviral activity against dengue and chikungunya viruses. Among all the analogues, ASL-3, ASL-6, ASL-7, ASL-8, ASL-9 and ASL-10 were the most potent against dengue virus (DENV) and exerted around one log reduction in virus titre under post -treatment conditions. At the same time ASL-3 was effective under cotreatment conditions. Two analogues ASL-6 and ASL-12 exerted anti-chikungunya virus (CHIKV) activity under post -treatment conditions. In silico docking studies revealed that the ASL derivatives interacted with the proteins of DENV and CHIKV. Together, the results suggest the anti-DENV and CHIKV activity of ASL derivatives which may be exploited further for therapeutic purposes.

}, keywords = {Anthrone Spiro-lactam, Chikungunya virus, dengue virus, Rhodamine}, issn = {0223-5234}, doi = {10.1016/j.ejmech.2023.115849}, author = {Darole, Ratanamala S. and Bagad, Pooja K. and Gonnade, Rajesh G. and Alagarasu, Kalichamy and Punekar, Madhura and Shukla, Shridhar and Parashar, Deepti and Senthilkumar, Beeran} } @article {48819, title = {Tale of two waves: Delineating diverse genomic and transmission landscapes driving the COVID-19 pandemic in Pune, India}, journal = {Journal of Infection and Public Health}, volume = {16}, year = {2023}, month = {AUG}, pages = {1290-1300}, type = {Article}, abstract = {

Background: Modern response to pandemics, critical for effective public health measures, is shaped by the availability and integration of diverse epidemiological outbreak data. Tracking variants of concern (VOC) is integral to understanding the evolution of SARS-CoV-2 in space and time, both at the local level and global context. This potentially generates actionable information when integrated with epidemiological outbreak data.Methods: A city-wide network of researchers, clinicians, and pathology diagnostic laboratories was formed for genome surveillance of COVID-19 in Pune, India. The genomic landscapes of 10,496 sequenced samples of SARS-CoV-2 driving peaks of infection in Pune between December-2020 to March-2022, were determined. As a modern response to the pandemic, a {\textquoteleft}{\textquoteleft}band of five{\textquoteright}{\textquoteright} outbreak data analytics approach was used. This integrated the genomic data (Band 1) of the virus through molecular phylogenetics with key outbreak data including sample collection dates and case numbers (Band 2), demographics like age and gender (Band 3-4), and geospatial mapping (Band 5).Results: The transmission dynamics of VOCs in 10,496 sequenced samples identified B.1.617.2 (Delta) and BA(x) (Omicron formerly known as B.1.1.529) variants as drivers of the second and third peaks of infection in Pune. Spike Protein mutational profiling during pre and post-Omicron VOCs indicated differential rank ordering of high-frequency mutations in specific domains that increased the charge and binding properties of the protein. Time-resolved phylogenetic analysis of Omicron sub-lineages identified a highly divergent BA.1 from Pune in addition to recombinant X lineages, XZ, XQ, and XM. Conclusions: The band of five outbreak data analytics approach, which integrates five different types of data, highlights the importance of a strong surveillance system with high-quality meta-data for understanding the spatiotemporal evolution of the SARS-CoV-2 genome in Pune. These findings have important implica-tions for pandemic preparedness and could be critical tools for understanding and responding to future outbreaks.\& COPY; 2023 Published by Elsevier Ltd on behalf of King Saud Bin Abdulaziz University for Health Sciences. This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/).

}, keywords = {COVID-19, Delta, Omicron, SARS-CoV-2 genomic surveillance, Variant of concern, Whole Genome Sequencing (WGS)}, issn = {1876-0341}, doi = {10.1016/j.jiph.2023.06.004}, author = {Niveditha, Divya and Khan, Soumen and Khilari, Ajinkya and Nadkarni, Sanica and Bhalerao, Unnati and Kadam, Pradnya and Yadav, Ritu and Kanekar, Jugal B. and Shah, Nikita and Likhitkar, Bhagyashree and Sawant, Rutuja and Thakur, Shikha and Tupekar, Manisha and Nagar, Dhriti and Rao, Anjani G. and Jagtap, Rutuja and Jogi, Shraddha and Belekar, Madhuri and Pathak, Maitreyee and Shah, Priyanki and Ranade, Shatakshi and Phadke, Nikhil and Das, Rashmita and Joshi, Suvarna and Karyakarte, Rajesh and Ghose, Aurnab and Kadoo, Narendra and Shashidhara, L. S. and Monteiro, Joy Merwin and Shanmugam, Dhanasekaran and Raghunathan, Anu and Karmodiya, Krishanpal} } @article {48786, title = {Tau aggregates improve the Purinergic receptor P2Y12-associated podosome rearrangements in microglial cells}, journal = {Biochimica Et Biophysica Acta-Molecular Cell Research}, volume = {1870}, year = {2023}, month = {JUN}, pages = {119477}, type = {Article}, abstract = {

Alzheimer{\textquoteright}s disease (AD) is a progressive neurodegenerative disease that is associated with protein misfolding, plaque accumulation, neuronal dysfunction, synaptic loss, and cognitive decline. The pathological cascade of AD includes the intracellular Tau hyperphosphorylation and its subsequent aggregation, extracellular Amyloid-\& beta; plaque formation and microglia-mediated neuroinflammation. The extracellular release of aggregated Tau is sensed by surveilling microglia through the involvement of various cell surface receptors. Among all, purinergic P2Y12R signaling is involved in microglial chemotaxis towards the damaged neurons. Microglial migration is highly linked with membrane-associated actin remodeling leading to the phagocytosis of extracellular Tau species. Here, we studied the formation of various actin structures such as podosome, lamellipodia and filopodia, in response to extracellular Tau monomers and aggregates. Microglial podosomes are colocalized with actin nucleator protein WASP, Arp2 and TKS5 adaptor protein during Tau-mediated migration. Moreover, the P2Y12 receptors were associated with F-actin-rich podosome structures, which signify the potential of Tau aggregates in microglial chemotaxis through the involvement of actin remodeling.

}, keywords = {Alzheimer {\textquoteleft}s disease, Filopodia, microglia, Podosome, Tau aggregates}, issn = {0167-4889}, doi = {10.1016/j.bbamcr.2023.119477}, author = {Chinnathambi, Subashchandrabose and Das, Rashmi and Desale, Smita Eknath} } @article {48758, title = {Thermally activated delayed fluorescent solvent-free organic liquid hybrids for tunable emission applications}, journal = {Chemistry-An Asian Journal}, volume = {18}, year = {2023}, month = {JUL }, type = {Article}, abstract = {

The synthetic feasibility and excellent luminescence features of organic molecules attracted much attention and were eventually found useful in lighting applications. In this context, a solvent-free organic liquid having attractive thermally activated delayed fluorescence features in bulk along with high processability has prime importance. Herein, we report a series of naphthalene monoimide-based solvent-free organic liquids exhibiting cyan to red thermally activated delayed fluorescence with luminescence quantum yields up to 80\% and lifetimes between 10 to 45 mu s. An effective approach explored energy transfer between liquid donors with various emitters exhibiting tunable emission colors, including white. The high processability of liquid emitters improved the compatibility with polylactic acid and was used for developing multicolor emissive objects using 3D printing. Our demonstration of the thermally activated delayed fluorescence liquid will be much appreciated as a processable alternate emissive material suitable for large-area lighting, display, and related applications.

}, keywords = {3D printing, Energy Transfer, OLED, Organic Liquids, TADF}, issn = {1861-4728}, doi = {10.1002/asia.202300276}, author = {Nidhankar, Aakash D. D. and Goudappagouda and Kothavade, Premkumar D. and Dongre, Sangram D. and Veer, Sairam Dnyaneshwar and Dash, Soumya Ranjan and Rajeev, Kavya and Unni, K. N. Narayanan and Shanmuganathan, Kadhiravan and Babu, Sukumaran Santhosh} } @article {48986, title = {Ti3C2Tx-Nb2Mo3O14 composite as novel anode to realize high power density combined with high stability in a hybrid lithium-ion capacitor}, journal = {Energy Technology }, volume = {11}, year = {2023}, month = {DEC}, type = {Article}, abstract = {

Lithium-ion capacitors (LICs), with their higher energy density at high power capability, stand out as the future generation of energy-storage devices. Herein, the nanocomposite of Ti3C2Tx MXene with Nb2Mo3O14 is prepared by a one-step hydrothermal method and studied as an electrode material for LIC. The asfabricated composite MXene niobium molybdenum oxide (MXNMO) achieves a high reversible capacity of 205 mAh g(-1) at 100 mA g(-1) current density with outstanding cyclability. Further, asymmetric LIC full-cell device composed of MXNMO anode with supercapacitor grade activated carbon as a cathode delivers an energy density of 37.8 Wh kg(-1) (0.25 A g(-1)) and a higher power density of 4244 W kg(-1) (5 A g(-1)) along with the excellent durability showing 85\% capacitance retention over 4000 cycles at 0.5 A g(-1).

}, keywords = {lithium-ion capacitors, MXene, niobium molybdenum oxides, pseudocapacitive anode materials}, issn = {2194-4288}, doi = {10.1002/ente.202300298}, author = {Pawar, Meenakshi D. and Thripuranthaka, Marulasiddappa and Patrike, Apurva and Deshmukh, Ashvini B. and Chaturvedi, Vikash and Krishnan, Arun and Shivade, Rajkiran and Shelke, Manjusha V.} } @article {48801, title = {Total synthesis and absolute configuration determination of the α-glycosidase inhibitor (3S,4R)-6-Acetyl-3-hydroxy-2,2-dimethylchroman-4-yl (Z)-2-Methylbut-2-enoate from Ageratina grandifolia}, journal = {Journal of Natural Products}, volume = {86}, year = {2023}, month = {JUN}, pages = {1878-1883}, type = {Article}, abstract = {

Herein, we report the first total synthesis of \& alpha;-glycosidaseinhibitor (3R, 4S)-6-acetyl-3-hydroxy-2,2-dimethylchroman-4-yl(Z)-2-methylbut-2-enoate as well as its enantiomer.Our synthesis confirms the chromane structure separately proposedby Navarro-Vazquez and Mata, on the basis of DFT computations. Furthermore,our synthesis allowed us to determine the absolute configuration ofthe natural compound as (3S, 4R)and not (3R, 4S).

}, issn = {0163-3864}, doi = {10.1021/acs.jnatprod.3c00236}, author = {Dandawate, Monica and Choudhury, Rahul and Krishna, Gamidi Rama and Reddy, D. Srinivasa} } @article {48668, title = {Total synthesis, structure elucidation and expanded bioactivity of icosalide A: effect of lipophilicity and ester to amide substitution on its bioactivity}, journal = {Organic \& Biomolecular Chemistry}, volume = {21}, year = {2023}, month = {JUL}, pages = {5725-5731}, type = {Article}, abstract = {

The first total synthesis of icosalide A, an antibacterial depsipeptide that is unique in that it contains two lipophilic beta-hydroxy acids, has been achieved by following Fmoc solid-phase peptide synthesis in combination with solution-phase synthesis. The ambiguity in the absolute stereochemistry of icosalide A has been resolved by synthesizing the reported structures and other relevant diastereomers of icosalides and comparing their NMR data. NMR-based structure elucidation of icosalide A revealed a well-folded structure with cross-strand hydrogen bonds similar to the anti-parallel beta-sheet conformation in peptides and displayed a synergistic juxtaposition of the aliphatic sidechains. 12 analogues of icosalide A were synthesized by varying the constituent lipophilic beta-hydroxy acid residues, and their biological activities against Bacillus thuringiensis and Paenibacillus dendritiformis were explored. Most of these icosalide analogues showed an MIC of 12.5 \& mu;g mL(-1) against both bacteria. Swarming inhibition by icosalides was least in B. thuringiensis (8.3\%) compared to that in P. dendritiformis (33\%). Furthermore, this is the first report of icosalides showing assured inhibitory action (MIC between 2 and 10 \& mu;g mL(-1)) against the active stage of Mycobacterium tuberculosis and cancer cell lines such as HeLa and ThP1. This study could help optimize icosalides for anti-TB, antibacterial, and anti-cancer activities.

}, issn = {1477-0520}, doi = {10.1039/d3ob00809f}, author = {Dangi, Abha and Pande, Bharat and Agrawal, Sonia and Sarkar, Dhiman and Vamkudoth, Koteswara Rao and Marelli, Udaya Kiran} } @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 {48274, title = {Ultra-fast electro-reduction and activation of graphene for high energy density wearable supercapacitor asymmetrically designed with MXene}, journal = {Carbon}, volume = {203}, year = {2023}, month = {JAN}, pages = {191-201}, type = {Article}, abstract = {

Controlled perforation of graphene is vital to surpass the performance of supercapacitors that rely on their pristine form. However, their practical utilization has been halted by energy-inefficient and lengthy processing. Here, we are reporting a pulse Joule heating strategy for on-site reduction and activation to realize a multimodal porous framework made of perforated graphene using millisecond current pulses. The multimodal porosity and surface functionalities of graphene were regulated at an ultrafast rate by passing a transient current. Asdeveloped ready-to-use electrode composed of nano-to-macro multimodal porosity displays high areal capacitance of 380.2 mF cm-2 in symmetric two-electrode configuration, which is nearly 1.6 times higher than the nonelectro activated counterpart. Furthermore, a high-performance wearable asymmetric supercapacitor with an areal energy density of 107.8 mu Wh cm-2 was realized using this multimodal porous graphene in combination with suitable negative electrodes made of MXene. High energy density, together with stable and repeatable performance of the wearable device for 10000 cycles of charge-discharge and 5000 cycles of bending, signifies the importance of the as-developed device for practical wearable applications. Direct, simple processing of electrodes and orders of magnitude lower cost-and-processing-time can make the process appealing for practical wearable and other energy storage applications.

}, keywords = {asymmetric supercapacitor, Graphene activation, Joule heating, Solid-state supercapacitor, Wearable device}, issn = {0008-6223}, doi = {10.1016/j.carbon.2022.11.054}, author = {Karim, Golam Masud and Dutta, Pronoy and Majumdar, Abhisek and Patra, Amalika and Deb, Sujit Kumar and Das, Snehasish and Dambhare, Neha V. and Rath, Arup K. and Maiti, Uday Narayan} } @article {48325, title = {Understanding the mechanism of amylin aggregation: From identifying crucial segments to tracing dominant sequential events to modeling potential aggregation suppressors}, journal = {Biochimica Et Biophysica Acta-Proteins and Proteomics}, volume = {1871}, year = {2023}, month = {JAN }, pages = {140866}, type = {Article}, abstract = {

One of the most abundant, prevailing, and life-threatening human diseases that are currently baffling the scientific community is type 2 diabetes (T2D). The self-association of human amylin has been implicated in the pathogenesis of T2D, though with an inconclusive understanding of the mechanism. Hence, we focused on the characterization of the conformational ensembles of all the species that are believed to define the structural polymorphism of the aggregation process - the functional monomeric, the initially self-associated oligomeric, and the structured protofibril - by employing near-equilibrium, non-equilibrium, and equilibrium atomistic simulations on the sporadic, two familial variants (S20G and G33R), and their proline-substituted forms (S20P and G33P). The dynamic near-equilibrium assays hint toward - the abundance of helical conformation in the monomeric state, the retainment of the helicity in the initial self-associated oligomeric phase pointing toward the existence of the helix-helix association mechanism, the difference in preference of specific segments to have definite secondary structural features, the phase-dependent variability in the dominance of specific segments and mutation sites, and the simultaneous presence of generic and unique features among various sequences. Furthermore, the non-equilibrium pulling assays exemplify a generic sequential unzipping mechanism of the protofibrils, however, the sequence-dependent uniqueness comes from the difference in location and magnitude of the control of a specific terminus. Importantly, the equilibrium thermodynamic assays efficiently rank order the potential of aggregability among sequences and consequently suggests the probability of designing effective aggregation suppressors against sporadic and familial amylin variants incorporating proline as the mutation.

}, keywords = {Aggregation mechanism, Bridging information, Conformational polymorphism, Generic suppressor, Helix -driven association, Structural reorganization}, issn = {1570-9639}, doi = {10.1016/j.bbapap.2022.140866}, author = {Ghosh, Ritama and Ghosh, Shreyan and Das, Atanu} } @article {48835, title = {Unprecedented energy storage in metal-organic complexes via constitutional isomerism}, journal = {Chemical Science}, volume = {14}, year = {2023}, month = {JUN}, pages = {6383-6392}, type = {Article}, abstract = {

The essence of any electrochemical system is engraved in its electrical double layer (EDL), and we report its unprecedented reorganization by the structural isomerism of molecules, with a direct consequence on their energy storage capability. Electrochemical and spectroscopic analyses in combination with computational and modelling studies demonstrate that an attractive field-effect due to the molecule{\textquoteright}s structural-isomerism, in contrast to a repulsive field-effect, spatially screens the ion-ion coulombic repulsions in the EDL and reconfigures the local density of anions. In a laboratory-level prototype supercapacitor, those with beta-structural isomerism exhibit nearly 6-times elevated energy storage compared to the state-of-the-art electrodes, by delivering similar to 535 F g(-1) at 1 A g(-1) while maintaining high performance metrics even at a rate as high as 50 A g(-1). The elucidation of the decisive role of structural isomerism in reconfiguring the electrified interface represents a major step forward in understanding the electrodics of molecular platforms.

}, issn = {2041-6520}, doi = {10.1039/d3sc01692g}, author = {Kottaichamy, Alagar Raja and Deebansok, Siraprapha and Deng, Jie and Nazrulla, Mohammed Azeezulla and Zhu, Yachao and Bhat, Zahid Manzoor and Devendrachari, Mruthyunjayachari Chattanahalli and Vinod, Chathakudath Prabhakaran and Kotresh, Harish Makri Nimbegondi and Fontaine, Olivier and Thotiyl, Musthafa Ottakam} } @article {48746, title = {Visible-light-active unsymmetrical squaraine dyes with 1 V of open-circuit voltage for dye-sensitized solar cells}, journal = {ChemPhotoChem}, volume = {7}, year = {2023}, month = {MAY}, type = {Article}, abstract = {

A series of alkyl-group-functionalized, aniline- and indoline-donor-based, unsymmetrical visible-light-active squaraine dyes, AM1-3, were designed and synthesized. Dye-sensitized solar cell (DSSC) devices were fabricated with both I-/I-3(-) and [Cu(tmby)(2)](+/2+) electrolytes. DSSC devices sensitized with the AM1 and AM2 dyes showed relatively high-power conversion efficiency of 7.44 \% and 7.22 \%, respectively with I-/I-3(-) in the absence of chenodeoxycholic acid (CDCA) than those of the AM3 dye (5.41 \%). The [Cu(tmby)(2)](+/2+) electrolyte along with poly(3,4-ethylenedioxythiophene) (PEDOT) as cathode material showed excellent open-circuit potentials (V-OC) of 1030, 1025, and 1001 mV with the DSSC efficiency of 8.05 \%, 7.96 \%, and 5.84 \%, respectively, for the AM1, AM2, and AM3 dyes in the absence of CDCA. Here, the AM1 dye exhibited the maximum DSSC efficiency of 8.05 \% and V-OC of 1030 mV, which is the highest obtained efficiency and V-OC for the visible-light active zwitterionic unsymmetrical-squaraine dye with copper-based electrolyte.

}, keywords = {Cu electrolytes, dihedral angle, Dye-sensitized solar cells, open circuit voltage, squaraine dyes}, issn = {2367-0932}, doi = {10.1002/cptc.202200328}, author = {Singh, Amrita and Kumar Singh, Ambarish and Dixit, Ruchi and Vanka, Kumar and Krishnamoorthy, Kothandam and Nithyanandhan, Jayaraj} } @article {48911, title = {Visible-light-active unsymmetrical squaraine dyes with pyridyl anchoring groups for dye-sensitized solar cells}, journal = {Langmuir}, volume = {40}, year = {2023}, month = {DEC }, pages = {251-263}, type = {Article}, abstract = {

Visible-light-active alkyl group-wrapped unsymmetrical squaraine dyes SD1-SD3 were synthesized, featuring an indoline donor and pyridine and carboxylic acid anchoring groups. Their photophysical, electrochemical, and photovoltaic characteristics were examined by fabricating a dye-sensitized solar cell (DSSC) device. Both carboxylic acid and pyridine anchoring groups containing squaraine dyes SD3 and SD2 possess similar photophysical and electrochemical characteristics. However, their photovoltaic performances were completely different. The SD3 dye with the carboxylic acid anchoring group displayed a DSSC device efficiency of 7.20\% (V-OC 0.81 V; J(SC) 12.29 mA/cm(2)) using iodolyte (I-/I-3(-)) electrolyte, compared to SD1 (V-OC 0.659 V; J(SC) 4.97 mA/cm(2); and eta - 2.34\%) and SD2 (V-OC 0.629 V; J(SC) 1.68 mA/cm(2); and eta - 0.84\%), which were featured with pyridyl anchoring groups. These results were attributed to dye loading on the Lewis and Br \& oslash;nsted acidic sites of TiO2 and the importance of aggregated structures for photocurrent generation. In the incident photon-to-current efficiency (IPCE) analysis, SD1 dye-sensitized devices exhibited photocurrent generation from both monomeric and aggregated dyes on the TiO2 surface. In contrast, SD2 showed photocurrent generation solely from aggregated states. Despite the introduction of long alkyl chains to reduce dye aggregation and charge recombination, the results indicated preferential charge injection from only the aggregated SD2 dye on TiO2. Fluorescence-quenching experiments indicated an efficient charge transfer from the aggregated SD2 dye to TiO2 compared to that of the monomeric dye. Cosensitization, a method to enhance the light-harvesting efficiency and photocurrent generation in DSSCs, was explored by simultaneously cosensitizing pyridyl-based dyes (SD1 and SD2) with a blue-colored carboxylic acid-based squaraine dye SD4. IPCE analysis demonstrated that both SD1 and SD4 contributed to generating a photocurrent of 9.11 mA/cm(2). The sequential cosensitization of SD1 and SD4 with the coadsorbent CDCA showed the highest performance, with a V-OC of 0.663 V, a J(SC) of 11.43 mA/cm(2), and an efficiency (eta) of 5.20\%.

}, keywords = {co-sensitization, Design, Emmision, Fluorescent Dyes, High-Efficiency, Organic Dye, Ring}, issn = {0743-7463}, doi = {10.1021/acs.langmuir.3c02474}, author = {Deshmukh, Shivdeep Suresh and Maibam, Ashakiran and Krishnamurty, Sailaja and Krishnamoorthy, Kothandam and Nithyanandhan, Jayaraj} } @article {48331, title = {Whole genome sequencing and comparative genomics of Indian isolates of wheat spot blotch pathogen bipolaris sorokiniana reveals expansion of pathogenicity gene clusters}, journal = {Pathogens}, volume = {12}, year = {2023}, month = {JAN}, pages = {1}, type = {Article}, abstract = {

Spot blotch is a highly destructive disease in wheat caused by the fungal pathogen Bipolaris sorokiniana (teleomorph, Cochliobolus sativus). It is prevalent in warm and humid areas, including Africa, Asia, Latin America, and the USA. In the present study, twelve isolates of B. sorokiniana were collected from wheat fields in three different geographical locations in India. The pathogenicity of seven sporulating isolates was assessed on {\textquoteleft}DDK 1025{\textquoteright}, a spot blotch-susceptible wheat variety under greenhouse conditions. The isolate {\textquoteleft}D2{\textquoteright} illustrated the highest virulence, followed by {\textquoteleft}SI{\textquoteright} and {\textquoteleft}BS52{\textquoteright}. These three isolates were sequenced using the Illumina HiSeq1000 platform. The estimated genome sizes of the isolates BS52, D2, and SI were 35.19 MB, 39.32 MB, and 32.76 MB, with GC contents of 48.48\%, 50.43\%, and 49.42\%, respectively. The numbers of pathogenicity genes identified in BS52, D2, and SI isolates were 2015, 2476, and 2018, respectively. Notably, the isolate D2 exhibited a relatively larger genome with expanded arsenals of Biosynthetic Gene Clusters (BGCs), CAZymes, secretome, and pathogenicity genes, which could have contributed to its higher virulence among the tested isolates. This study provides the first comparative genome analysis of the Indian isolates of B. sorokiniana using whole genome sequencing.

}, keywords = {Bipolaris sorokiniana, CAZyme, comparative genomics, spot blotch, whole genome sequencing}, doi = {10.3390/pathogens12010001}, author = {Yadav, Sagar and Raazi, Zarrine and Shivaraj, Sheelavanta Matha and Somani, Deepika and Prashant, Ramya and Kulkarni, Abhijeet and Kumar, Rajeev and Biradar, Suma and Desai, Shreenivas and Kadoo, Narendra} } @article {48962, title = {Wurtzite CuGaS2 with an in-situ-formed CuO layer photocatalyzes CO2 conversion to ethylene with high selectivity}, journal = {Angewandte chemie-international edition}, volume = {62}, year = {2023}, month = {FEB 20}, type = {Article}, abstract = {

We present surface reconstruction-induced C-C coupling whereby CO2 is converted into ethylene. The wurtzite phase of CuGaS2. undergoes in situ surface reconstruction, leading to the formation of a thin CuO layer over the pristine catalyst, which facilitates selective conversion of CO2 to ethylene (C2H4). Upon illumination, the catalyst efficiently converts CO2 to C2H4 with 75.1 \% selectivity (92.7 \% selectivity in terms of R-electron) and a 20.6 mu mol g(-1) h(-1) evolution rate. Subsequent spectroscopic and microscopic studies supported by theoretical analysis revealed operando-generated Cu2+, with the assistance of existing Cu+, functioning as an anchor for the generated *CO and thereby facilitating C-C coupling. This study demonstrates strain-induced in situ surface reconstruction leading to heterojunction formation, which finetunes the oxidation state of Cu and modulates the CO2 reduction reaction pathway to selective formation of ethylene.

}, keywords = {C-C coupling, charge polarization, CO2 reduction, Photocatalysis}, issn = {1433-7851}, doi = {10.1002/anie.202216613}, author = {Chakraborty, Subhajit and Das, Risov and Riyaz, Mohd and Das, Kousik and Singh, Ashutosh Kumar and Bagchi, Debabrata and Vinod, Chathakudath P. and Peter, Sebastian C.} } @article {49139, title = {Zwitterionic tetrastanna(II) cyclic crown}, journal = {European Journal of Inorganic Chemistry}, volume = {26}, year = {2023}, month = {OCT }, type = {Article}, abstract = {

A 12-membered zwitterionic tetrastanna(II) cycle 1 having a crown ether-like topology has been isolated from the deprotonation of 1,1 \& PRIME;-methylenediimidazole (B) with two equivalents of Sn[N(SiMe3)(2)](2) (A). The solid-state structure and NMR analysis confirms the tetrastanna(II) cycle 1 to be comprised of two stannate(II) and two stannyliumylidene ion pairs in alternating positions of the heterocycle. Computational analysis shows greater nucleophilicity at the proximally located stannate(II) centers. Nonetheless, the tetrastanna(II) cycle 1 remains poorly reactive due to engagement of Sn-II lone pair electrons in intramolecular donor-acceptor interactions. Simple deprotonation reaction between Sn[N(SiMe3)(2)](2) (A) and N-(diisopropylphenyl)imidazole (C) in equimolar ratio has led to a stannylene 2, involving the formation of a Sn-C covalent bond with the anionic imidazol-2-yl carbon center along with the release of NH(SiMe3)(2). Compound 2 exists as a dimer, where the unsubstituted ring nitrogen atom coordinated intermolecularly to the other stannylene center.

}, keywords = {Deprotonation, Imidazole, Macrocycle, Sn-II cation, stannylene}, issn = {1434-1948}, doi = {10.1002/ejic.202300249}, author = {Sahoo, Padmini and Chibde, Purva and Das, Satyabrata and Banerjee, Subhrashis and Mali, Bhupendra P. and Vanka, Kumar and Gonnade, Rajesh G. and Yildiz, Cem. B. and Majumdar, Moumita} } @article {49314, title = {Accessing meta -enone-substituted anisoles using ArN 2 BF 4 as precatalyst via rearrangement of alkyne-tethered cyclohexadienones}, journal = {Synthesis-Stuttgart}, volume = {56}, year = {2024}, month = {AUG }, pages = {2499-2506}, type = {Article}, keywords = {alkyne-tethered cyclohexadienone, diazonium salt, rearrangement, substituted anisoles}, issn = {0039-7881}, doi = {10.1055/a-2331-9439}, author = {Rai, Archana and Das, Utpal} } @article {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 {49632, title = {Advances in catalytic conversion of lignocellulosic biomass to ethylene glycol}, journal = {Catalysis Reviews-Science and Engineering}, volume = {66}, year = {2024}, month = {OCT }, pages = {1137-1207}, type = {Review}, abstract = {

Ethylene glycol (EG) is an industrial chemical with multiple applications in polymers, anti-freeze agents, coolants, desiccants and de-icing fluids. It is prepared mainly from fossil feedstock resources. However, its manufacture from renewable sources like lignocellulosic biomass is attractive from the view points of carbon-neutrality and environmental benefits. A few industries have already ventured or committed to produce biomass-derived EG (bio-EG) on a pilot to demonstration scale. At present bio-EG is more expensive than the EG made from fossil resources. Advances are happening in developing more efficient and selective catalysts for the direct conversion of raw biomass and its hydrolysis products (cellulose and glucose) into bio-EG. This review presents the recent advances in catalysts for producing bio-EG.

}, keywords = {2-diol, biomass to chemicals, ethane-1, Hydrogenolysis, Lignocellulose, Monoethylene glycol, solid catalyst}, issn = {0161-4940}, doi = {10.1080/01614940.2022.2111070}, author = {Enjamuri, Nagasuresh and Darbha, Srinivas} } @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 {48961, title = {Bacteriophages: status quo and emerging trends toward one health approach}, journal = {Science of The Total Environment}, volume = {908}, year = {2024}, month = {JAN}, type = {Review}, abstract = {

The alarming rise in antimicrobial resistance (AMR) among the drug-resistant pathogens has been attributed to the ESKAPEE group (Enterococcus faecium, Staphylococcus aureus, Klebsiella pneumoniae, Acinetobacter baumanii, Pseudomonas aeruginosa, Enterobacter sp., and Escherichia coli). Recently, these AMR microbes have become difficult to treat, as they have rendered the existing therapeutics ineffective. Thus, there is an urgent need for effective alternatives to lessen or eliminate the current infections and limit the spread of emerging diseases under the {\textquoteleft}{\textquoteleft}One Health{\textquoteright}{\textquoteright} framework. Bacteriophages (phages) are naturally occurring biological resources with extraordinary potential for biomedical, agriculture/food safety, environmental protection, and energy production. Specific unique properties of phages, such as their bactericidal activity, host specificity, potency, and biocompatibility, make them desirable candidates in therapeutics. The recent biotechnological advancement has broadened the repertoire of phage applications in nanoscience, material science, physical chemistry, and soft

}, keywords = {Antimicrobial resistance (AMR), Bacteriophages, One-health, Therapeutics commercialization}, issn = {0048-9697}, doi = {10.1016/j.scitotenv.2023.168461}, author = {Samson, Rachel and Dharne, Mahesh and Khairnar, Krishna} } @article {49382, title = {Biexciton emission in CsPbBr3 nanocrystals: polar facet matters}, journal = {Nano Letters}, volume = {24}, year = {2024}, month = {AUG }, pages = {10434-10442}, type = {Article}, abstract = {

The metal halide perovskite nanocrystals exhibit a remarkable tolerance to midgap defect states, resulting in high photoluminescence quantum yields. However, the potential of these nanocrystals for applications in display devices is hindered by the suppression of biexcitonic emission due to various Auger recombination processes. By adopting single-particle photoluminescence spectroscopy, herein, we establish that the biexcitonic quantum efficiency increases with the increase in the number of facets on cesium lead bromide perovskite nanocrystals, progressing from cube to rhombic dodecahedron to rhombicuboctahedron nanostructures. The observed enhancement is attributed mainly to an increase in their surface polarity as the number of facets increases, which reduces the Coulomb interaction of charge carriers, thereby suppressing Auger recombination. Moreover, Auger recombination rate constants obtained from the time-gated photon correlation studies exhibited a discernible decrease as the number of facets increased. These findings underscore the significance of facet engineering in fine-tuning biexciton emission in metal halide perovskite nanocrystals.

}, keywords = {Auger recombination, biexciton emission, Cs-133 MAS NMR spectroscopy, Perovskites, time-gatedphoton correlation}, issn = {1530-6984}, doi = {10.1021/acs.nanolett.4c01186}, author = {Titus, Timi and Vishnu, E. Krishnan and Garai, Arghyadeep and Dutta, Sumit Kumar and Sandeep, Kuttysankaran and Shelke, Ankita and Ajithkumar, Thalasseril G. and Shaji, Anil and Pradhan, Narayan and Thomas, K. George} } @article {49087, title = {Biodegradable and 3D printable lysine functionalized polycaprolactone scaffolds for tissue engineering applications}, journal = {Biomaterials Advances}, volume = {159}, year = {2024}, month = {MAY}, pages = {213816}, type = {Article}, abstract = {

Tissue engineering (TE) has sparked interest in creating scaffolds with customizable properties and functional bioactive sites. However, due to limitations in medical practices and manufacturing technologies, it is challenging to replicate complex porous frameworks with appropriate architectures and bioactivity in vitro. To address these challenges, herein, we present a green approach that involves the amino acid (L-lysine) initiated polymerization of epsilon-caprolactone (CL) to produce modified polycaprolactone (PCL) with favorable active sites for TE applications. Further, to better understand the effect of morphology and porosity on cell attachment and proliferation, scaffolds of different geometries with uniform and interconnected pores are designed and fabricated, and their properties are evaluated in comparison with commercial PCL. The scaffold morphology and complex internal micro-architecture are imaged by micro-computed tomography (micro-CT), revealing pore size in the range of similar to 300-900 mu m and porosity ranging from 30 to 70 \%, while based on the geometry of scaffolds the compressive strength varied from 143 +/- 19 to 214 +/- 10 MPa. Additionally, the degradation profiles of fabricated scaffolds are found to be influenced by both the chemical nature and product design, where Lys-PCL-based scaffolds with better porosity and lower crystallinity degraded faster than commercial PCL scaffolds. According to in vitro studies, Lys-PCL scaffolds have produced an environment that is better for cell adhesion and proliferation. Moreover, the scaffold design affects the way cells interact; Lys-PCL with zigzag geometry has demonstrated superior in vitro vitality (\>90 \%) and proliferation in comparison to other designs. This study emphasizes the importance of enhancing bioactivity while meeting morphology and porosity requirements in the design of scaffolds for tissue engineering applications.

}, keywords = {Additive manufacturing, Amino acid, Micro-computed tomography, Polycaprolactone}, doi = {10.1016/j.bioadv.2024.213816}, author = {Naik, Sonali S. and Torris, Arun and Choudhury, Namita R. and Dutta, Naba K. and Nair, Kiran Sukumaran} } @article {48960, title = {Bioprocess optimization of penicillium funiculosum NCIM 1228 for improved production and hydrolytic efficiency of cellulases on sugarcane bagasse}, journal = {Sugar Tech}, volume = {26}, year = {2024}, month = {FEB}, pages = {215-233}, type = {Journal Article}, abstract = {

The cellulase enzyme is currently the world{\textquoteright}s third largest commercial enzyme. Because of its requirement in various industries like textiles, food, waste management, pharmaceuticals, agriculture, pulp paper, biofuels, and others, its demand curve has increased sharply. The response surface methodology (RSM) approach was employed to optimize media components and process parameters in the current investigation, which successfully increased the cellulase production from Penicillium funiculosum NCIM 1228. Statistical optimization for the hyperproduction of cellulases was conducted using RSM. The Plackett-Burman design (PBD) approach was used to investigate the critical factors of the cellulase production medium. Subsequently, the Box-Behnken design (BBD) method was used to statistically estimate optimum values and conditions that substantially impacted cellulase production. The estimated optimal combinations of parameters for cellulase production were urea (0.2\%), CaCl2 (0.2\%), MgSO4 (0.05\%), peptone (1.5\%), microcrystalline cellulose (5.0\%), wheat bran (2.5\%), corn steep liquor (CSL) (2.5\%), KH2PO4 (0.15\%), inoculum (10.65\%), agitation (157 rpm), pH (5.88), and temperature (29.84 C-degrees). Conclusively, experimental validation under optimal conditions detected an increased production of 3.82- and 3.61-fold in filter paper assay (FPase) and beta-glucosidase, respectively. Additionally, 1.66- and 1.57-fold enhancement in FPase and beta-glucosidase specific activity was observed where an xylanase activity was enhanced by 3.29-fold. Furthermore, the enzyme showed 51.30 per cent hydrolysis efficiency on sugarcane bagasse lignocellulosic biomass (LCB), at a dose of 7 FPase units per g of cellulose. P. funiculosum NCIM 1228 offers the benefit of producing cellulase with an entire cellulolytic system of enzymes that can be synthesized extracellularly, thus acting as a promising biocatalyst for biofuel industries.

}, keywords = {Cellulase, Lignocellulosic biomass, Penicillium funiculosum, Response surface methodology, Submerged fermentation, Xylanase}, issn = {0972-1525}, doi = {10.1007/s12355-023-01324-6}, author = {Chavan, Sambhaji B. and Shete, Ashvini M. and Dharne, Mahesh S.} } @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 {49092, title = {Br{\o}nsted acid- and Ni(ii)-catalyzed C-H oxidation/rearrangement of cyclotriveratrylenes (CTVs) to cyclic and acyclic quinones as potential anti-cancer agents}, journal = {Organic and biomolecular chemistry}, volume = {22}, year = {2024}, month = {JAN }, pages = {1038-1046}, type = {Article}, abstract = {

This paper describes a simple and practical protocol for the direct synthesis of acyclic and cyclic quinone derivatives via an acid-promoted nickel(ii)-catalyzed inner rim C-H oxidation of cyclotriveratrylene (CTV) and its analogues. The cyclic quinone derivatives resulted from trimethoxy-cyclotriveratrylene (TCTV) through C-C bond formation via intramolecular ipso substitution followed by subsequent anionic rearrangement containing stereo-vicinal quaternary centers. The DFT calculations strongly support the experimental findings and reveal the role of Bronsted acids in the C-H bond activation of CTV. All the newly synthesized compounds were screened for their in vitro anti-cancer activity using colorimetric SRB assay analysis. Among them, compounds 3a, 3d, 3h, 4a, 4b, 4c and 4e exhibited moderate anticancer activity against A549, HCT-116, PC-3, MDA-MB-231, HEK-293 and SW620 human cancer cell lines.

}, issn = {1477-0520}, doi = {10.1039/d3ob01428b}, author = {Darole, Ratanamala S. and Choudhary, Shailendra Singh and Sharma, Himanshu and Mali, Bhupendra P. and Gopu, Booblan and Vanka, Kumar and Senthilkumar, Beeran} } @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 {49651, title = {Cathode|electrolyte interface engineering by a hydrogel polymer electrolyte for a 3D porous high-voltage cathode material in a quasi-solid-state zinc metal battery by in situ polymerization}, journal = {SMALL}, volume = {20}, year = {2024}, month = {OCT}, pages = {2403158}, type = {Article}, abstract = {

This work highlights the development of a superior cathode|electrolyte interface for the quasi solid-state rechargeable zinc metal battery (QSS-RZMB) by a novel hydrogel polymer electrolyte using an ultraviolet (UV) light-assisted in situ polymerization strategy. By integrating the cathode with a thin layer of the hydrogel polymer electrolyte, this technique produces an integrated interface that ensures quick Zn2+ ion conduction. The coexistence of nanowires for direct electron routes and the enhanced electrolyte ion infiltration and diffusion by the 3D porous flower structure with a wide open surface of the Zn-MnO electrode complements the interface formation during the in situ polymerization process. The QSS-RZMB configured with an integrated cathode (i-Zn-MnO) and the hydrogel polymer electrolyte (PHPZ-30) as the separator yields a comparable specific energy density of 214.14 Wh kg(-1) with that of its liquid counterpart (240.38 Wh kg(-1), 0.5 M Zn(CF3SO3)(2) aqueous electrolyte). Other noteworthy features of the presented QSS-RZMB system include its superior cycle life of over 1000 charge-discharge cycles and 85\% capacity retention with 99\% coulombic efficiency at the current density of 1.0 A g(-1), compared to only 60\% capacity retention over 500 charge-discharge cycles displayed by the liquid-state system under the same operating conditions.

}, keywords = {cathode-electrolyte interface tuning, dendrite inhibition, epitaxial zinc deposition, hydrogel polymer electrolyte, In situ polymerization, Quasi solidstate rechargeable zinc metal battery}, issn = {1613-6810}, doi = {10.1002/smll.202403158}, author = {Puthiyaveetil, Priyanka Pandinhare and Torris, Arun and Dilwale, Swati and Kanheerampockil, Fayis and Kurungot, Sreekumar} } @article {49216, title = {Characterization of the conformational hotspots of the RNA-dependent RNA polymerase complex identifies a unique structural malleability of nsp8}, journal = {Journal of Physical Chemistry B}, volume = {128}, year = {2024}, month = {OCT }, pages = {9959-9975}, type = {Article}, abstract = {

Several antiviral therapeutic approaches have been targeted toward the RNA-dependent RNA polymerase (RdRp) complex that is involved in viral genome replication. In SARS-CoV-2, although the RdRp is a multiprotein complex, the focus has been on the ligand binding catalytic core (nonstructural protein nsp12), and not the multiprotein functional dynamics. In this study, we focus on the conformational ensembles of the RdRp complex and their modulation by the presence of RNA, performing comprehensive microsecond-scale atomistic simulations of the apo- and RNA-bound complex. We delineate the differential impact of RNA on the constituent proteins, such as conformational polymorphisms, dominant segment-specific fluctuations, and the switch in dynamical crosstalk within the complex. We distinguish dynamical signatures of nsp7, nsp8, and nsp12 in the apo-state that are reduced in the presence of the RNA and appear to {\textquoteleft}{\textquoteleft}prime{\textquoteright}{\textquoteright} the complex for activity. Importantly, we identify a unique structural malleability of the nsp8 protein with high conformational heterogeneity in the apo state, especially at three sites (Y71 for nsp8A, and D52 and A66 for nsp8B). Our work highlights the functional implications of the polymorphism of nsp8 structures and reveals possibilities for the development of allosteric inhibitors.

}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.4c03851}, author = {Gharui, Sowmomita and Sengupta, Durba and Das, Atanu} } @article {49633, title = {Colocasia esculenta stems for the isolation of cellulose nanofibers: a chlorine-free method for the biomass conversion}, journal = {Biomass Conversion and Biorefinery}, volume = {14}, year = {2024}, month = {MAY}, pages = {10305-10318}, type = {Article}, abstract = {

The reuse of waste products is the green key to sustainability. The extraction of cellulose nanofibers from Colocasia esculenta stems is presented in the paper. The study proved that the waste biomass could be effectively re-engineered into highly valued cellulose nanofibers (CNFs). Cellulose nanofibers were extracted via a chemo-mechanical route. The pre-treatments included mild alkali hydrolysis (2\% NaOH) and chlorine-free bleaching (peroxide bleaching in an alkaline medium). Cellulose I-beta structure was confirmed using C-13 solid-state nuclear magnetic resonance spectroscopy and X-ray diffraction analysis. The elemental analysis of CNFs detected the elements, carbon and oxygen. The CNFs had a crystallinity and transmittance of 71.72\% and 60\%, respectively. Microscopic studies verified the elimination of non-cellulosic components and the fibrous nature of CNFs. Moreover, the fiber diameter of CNFs was 20-40 nm. Thermal analysis revealed good thermal stability of 335.8 degrees C (T-50) for nanofibers. Long-term aids are numerous in eco-friendly technology. Developing an eco-design will support zero waste ideals, lowers carbon dioxide emissions, and encourages a circular economy. Owing to the merits of natural fibers, they can be adopted in various sectors including packaging, automobile, aerospace, electronics, biomedical, construction, and furniture.

}, keywords = {acid hydrolysis, cellulose nanofibers, Colocasia esculenta stems, High crystallinity}, issn = {2190-6815}, doi = {10.1007/s13399-022-03171-z}, author = {Dominic, C. D. Midhun and Maheswary, S. and Neenu, V. K. and Sajadi, S. Mohammad and Rosa, Derval dos Santos and Begum, P. M. Sabura and Mathew, Mariya and Ajithkumar, T. G. and Parameswaranpillai, Jyotishkumar and George, Tresa Sunitha and Resmi, V. C. and Ilyas, R. A. and Badawi, Michael} } @article {49055, title = {Computational identification of most potent atom pair catalysts for electrocatalytic nitrogen reduction reaction over hydrogen evolution reaction}, journal = {Inter.}, volume = {58}, year = {2024}, month = {MAR }, pages = {1345-1358}, type = {Article}, abstract = {

Robust electrocatalytic atom pair compositions (APCs) where Nitrogen Reduction Reaction (NRR) is more enhanced over competing Hydrogen Evolution Reaction (HER) is searched for using computational studies based on Density Functional Theory based methods. Atomic pairs are anchored on mechanically and thermally stable graphene surfaces. A wide range of transition metal based atom pair compositions from 3d, 4d, and 5d groups are systematically investigated for reduction of dinitrogen molecule with lower reduction barrier as compared to HER. APR compositions of Ni-Rh with an overall limiting potential of -0.22 V, Fe-W with an overall limiting potential of -0.26 V and Co-Pt with an overall limiting potential of -0.28 V are identified as the most potent atomic pairs for enhanced nitrogen reduction reaction over the HER. Finally, the performance of most potent composition, viz., Ni-Rh is validated to be consistent with respect to their thermodynamic stability and performance within the solvent effects.

}, keywords = {Atom pair catalysts, Density Functional Theory (DFT), Electrochemical nitrogen reduction reaction (eNRR), hydrogen evolution reaction (HER), IR stretching frequencies, N-N bond length}, issn = {0360-3199}, doi = {10.1016/j.ijhydene.2024.01.203}, author = {Verma, Tushar Singh and Dar, Afshana Hassan and Dar, Manzoor Ahmad and Selvaraj, Kaliaperumal and Krishnamurty, Sailaja} } @article {49110, title = {Concentration-dependent SILAR synthesized Di-bismuth copper oxide nano-materials electrode in asymmetric supercapacitor}, journal = {Journal of Materials Science-Materials in Electronics}, volume = {35}, year = {2024}, month = {JAN}, pages = {129}, type = {Article}, abstract = {

In this study, we present a novel approach to prepare bismuth oxide deposited on copper substrate (Bi2CuO4) electrodes using a binder-free successive ionic layer adsorption and reaction (SILAR) technique, demonstrating their potential for energy storage applications. The resulting Bi2CuO4 electrode exhibits a tetragonal crystal structure with a polycrystalline nature, as confirmed by X-ray diffraction (XRD). Field emission scanning electron microscopy (FE-SEM) reveals a distinctive sphere-like structure with hydrophilic characteristics, as determined from contact angle measurements. X-ray photoelectron spectroscopy (XPS) further validates the composition of the sample. The electrochemical performance of Bi2CuO4 is remarkable, with a specific capacitance (SC) of 1795.9 F/g at 16 mA/cm(2). When used as an anode in an asymmetric solid-state device (ASSD) alongside activated carbon (AC) as the cathode, the Bi2CuO4 electrode attains a maximum energy density (SE) of 169.5 Wh/kg at 16 mA/cm(2) and a peak power density (SP) of 15.9 kW/kg at 24 mA/cm(2). In a 1 M KOH-polyvinyl alcohol (PVA) polymer solution, the Bi2CuO4//AC pencil-type cell achieves a superior SC of 94.5 F/g at 5 mV/s, retaining approximately 92\% of its initial performance even after 5000 charge-discharge cycles. The resulting SE and SP are 43.1 Wh/kg and 5.2 kW/kg at 10 mA/cm(2), respectively. This research presents an efficient and straightforward synthesis method for producing high-performance pencil-type supercapacitors at a laboratory scale. Furthermore, we demonstrate the potential of a homemade pencil-type supercapacitor device (Bi2CuO4//AC) to power a light-emitting diode (LED), highlighting its practical utility in various energy storage applications.

}, issn = {0957-4522}, doi = {10.1007/s10854-023-11818-4}, author = {Bobade, R. G. and Dabke, N. B. and Shaikh, Shoyebmohamad F. and Al-Enizi, Abdullah M. and Pandit, Bidhan and Lokhande, B. J. and Ambare, R. C.} } @article {48907, title = {Conductive metal-organic frameworks for zinc-air battery application: design principles, recent trends and prospects}, journal = {Journal of Materials Chemistry A}, volume = {12}, year = {2024}, month = {JAN }, pages = {2605-2619}, type = {Journal Article }, abstract = {

Electrochemical energy conversion and storage systems have an indispensable place in the modern world to fulfill the increasing energy demands. Among the different storage devices, rechargeable zinc-air batteries (ZABs) have become one of the most promising energy technologies owing to the abundance and inexpensiveness of Zn, simple operation, environmental friendliness, and reasonable energy density. However, the sluggishness of the oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) occurring in ZABs is a serious obstacle in their progress and commercialization. This creates a need for the development of efficient bifunctional electrocatalysts for ORR and OER. Conductive metal-organic frameworks (cMOFs) imbibing the general properties of MOFs, like high surface area, tunable porosity, redox-active centers, and additional intrinsic conductivity, can be a very lucrative option for developing bifunctional ORR and OER electrocatalysts for ZAB applications. In this review, we discuss the conductivity and design strategies of conductive MOFs, the basic configuration of ZABs, and the use of cMOFs for ZAB applications. The future directions for the improvement of cMOFs for ZABs have been provided, which hopefully will incite interest among researchers for further exploring cMOFs for ZABs. Electrochemical energy conversion and storage systems have an indispensable place in the modern world to fulfill the increasing energy demands.

}, keywords = {Biofunctional Oxygen Electrocatalyst, Electrical conductivity, Energy storage, Fuel-Cells, li-ion batteries}, issn = {2050-7488}, doi = {10.1039/d3ta03753c}, author = {Devi, Bandhana and Kurungot, Sreekumar} } @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 {49258, title = {Crystal engineering for intramolecular π-π stacking: effect of substitution of electron-donating and electron-withdrawing groups on the molecular geometry in conformationally flexible Sulfoesters and sulfonamides}, journal = {CrystEngComm}, volume = {26}, year = {2024}, month = {JUL}, pages = {3557-3573}, type = {Article}, abstract = {

A series of 21 sulfoester and sulfonamide derivatives comprising two aromatic rings was synthesized to investigate the effect of the presence of either electron-donating (ED) or electron-withdrawing (EW) groups on the intramolecular pi-stacking assembly. The positioning of ED or EW moieties was carried out directly on one of the aromatic rings linked to the sulfonyl or sulfonamide moieties. In contrast, the other aromatic ring (phenyl or pyridine) was connected by a -CH2-CH2- spacer with the sulfonyl or sulfonamide moiety. The purpose of having an ethyl spacer between the two aromatic rings was to achieve conformational flexibility, facilitating the intramolecular pi-stacking assembly between the two aromatic rings. The use of sulfoester/sulfonamide groups allowed more conformational flexibility to attain desired orientations in solids with the interplay of the hydrogen-bonding interactions. Between the two functional groups, sulfonamides offered a more hydrogen-rich environment due to the amine moiety and may exhibit higher H-bonding propensity than the sulfoester moiety. The central idea here was to study the interplay between the hydrogen-bonding and pi \& ctdot;pi interactions. The substituent groups chosen were categorized as strong electron-withdrawing (-CF3 and -CN), weak electron-withdrawing (-Cl and -Br), neutral (-H), and good electron-donating (-CH3 and -OCH3) groups. Crystal structure analysis revealed the syn conformation for all the derivatives, enabling intramolecular pi \& ctdot;pi interactions between the two aromatic rings, whereas in the sulfonamide derivatives, the molecule takes either midway or anti conformations, except for one pyridine sulfonamide derivative, which showed the syn orientation but lacked intramolecular pi-stacking interactions. The absence of any conventional H-bond forming functional groups in the sulfoester derivatives may have resulted in the syn geometry facilitated by intramolecular pi-stacking interactions. Conversely, H-bond-forming functional groups in the sulfonamide derivatives could have prevented the syn conformation. The conformational analysis carried out employing density functional theory (DFT) calculations confirmed the higher stability of the syn conformation over the midway and anti orientations. The placing of electron-withdrawing and electron-donating groups at the para position of the benzene revealed sulfoesters preferably adopts a syn geometry facilitating the intramolecular pi-stacking, but sulphonamides takes midway or anti-geometry.

}, doi = {10.1039/d4ce00309h}, author = {Shaikh, Samir R. and Gawade, Rupesh L. and Dabke, Niteen B. and Dash, Soumya R. and Vanka, Kumar and Gonnade, Rajesh G.} } @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 {49180, title = {Deciphering the role of chemisorbed CO in CO2 methanation: kinetic and mechanistic investigation over monometallic (Ru) and bimetallic (Ru-Ni) catalysts}, journal = {Catalysis Science \& Technology}, volume = {14}, year = {2024}, month = {DEC }, pages = {7124-7133}, type = {Article}, abstract = {

Supported metal catalysts have made prominent contributions to CO2 mitigation through conversion into useful chemicals. However, intermediates and mechanisms involved in this process remain ambiguous. Herein, we present the kinetics, mechanistic route and impact of chemisorbed CO in CO2 methanation on Ru/gamma-Al2O3 and Ru-Ni/gamma-Al2O3 catalysts. Both the catalysts show minimal variation in adsorbed species on changing the duration of reduction, as confirmed through in situ IR spectroscopy. A notable observation is that the adsorbed CO exhibits a red shift at a longer reduction time and a more reactive nature on the Ru/gamma-Al2O3 surface. Conversely, stable bridged CO mode is detected on Ru-Ni/gamma-Al2O3 under similar conditions, leading to catalyst poisoning in all instances. This indicates that pre-reduction duration does not have much effect on the surface but interference of CO has more effect at lower concentrations of reactant gases. In situ XRD analysis reveals limited changes in the metallic or mixed oxide species during these conditions. Reaction kinetic analysis showed that Ru-Ni/gamma-Al2O3 has better rate performance at higher concentrations of CO2, whereas Ru/gamma-Al2O3 exhibits better rate performance at lower concentrations. The activation energy was found to be 74.07 kJ per mole for Ru/gamma-Al2O3 and 89.38 kJ per mole for Ru-Ni/gamma-Al2O3. The turnover frequency (TOF) is directly proportional to the rate of formation of methane.

}, issn = {2044-4753}, doi = {10.1039/d4cy01004c}, author = {Dongapure, Pavan and Tekawadia, Jyoti and Naidu, V. Satyam and Devi, R. Nandini} } @article {48952, title = {Dehydration of lactate to acrylate using alkaline earth metal modified hydroxyapetite}, journal = {Catalysis Letters}, volume = {154}, year = {2024}, month = {FEB}, pages = {569-581}, type = {Journal Article}, abstract = {

Acrylates/acrylic acid are important for polymer industry due to its very high volume applications in different sectors. Activity of Ba/Mg modified hydroxyapatite for vapour-phase dehydration of ammonium lactate with 100\% conversion and 60\% acrylate selectivity was attributed to fine tuning of acid/base properties and formation of surface Ba/Ca lactate species.

}, keywords = {acrylate, Alkaline earth metal, dehydration, Lactate, Modified hydroxyapetite}, issn = {1011-372X}, doi = {10.1007/s10562-023-04329-8}, author = {Doke, Dhananjay S. S. and Dongre, Mohan K. K. and Umbarkar, Shubhangi B. B.} } @article {49355, title = {Design, synthesis, anti-inflammatory evaluation and in silico molecular docking of novel furan-based derivatives as potential TNF-α production inhibitors}, journal = {Letters in Drug Design \& Discovery}, volume = {21}, year = {2024}, month = {JAN}, pages = {2916-2925}, type = {Article}, abstract = {

Introduction Inflammation is the first response and an alarming signal for the onset of chronic disease. Most of the anti-inflammatory drugs available in the market are reported to have undesirable gastrointestinal toxicities. Therefore, it is of urgent significance to develop anti-inflammatory drugs with low toxicity and good efficacy.Methods We created a targeted scaffold based on a literature review by combining the different structural characteristics of furan and benzyl amides into a single pharmacophore. A series of eighteen furan-based derivatives (1-18) were designed, synthesized for in vitro and in vivo anti-inflammatory activity. The characterization of synthesized compounds was elucidated by techniques like 1H-NMR, 13C-NMR, FT-IR and MS.Results The synthetic compounds were examined through molecular docking studies on TNF-alpha for probable binding mode and interactions with hydrophilic and hydrophobic pocket of TNF-alpha in comparison to standard drug (Indomethacin).Conclusion When compared to the standard treatment, compounds 18, 15 and 9 displayed a remarkable inhibitory effect on the production of TNF-alpha and in vivo inflammatory activity with no damage to stomach and reduction of LPO. The compounds 18, 15 and 9 might be a good consideration for potential anti-inflammatory agents.

}, keywords = {analgesic, Anti-inflammatory, Furan-based derivatives, Lipid peroxidation, TNF-alpha, ulcerogenic}, issn = {1570-1808}, doi = {10.2174/1570180820666230828151523}, author = {Bhoge, Satish and Singh, Prabal Pratap and Das, Deepak and Ali, Yakub and Dhulap, Abhijeet} } @article {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 {49612, title = {Dietary supplementation of lactococcus lactis subsp. lactis BIONCL17752 on growth performance, and gut microbiota of broiler chickens}, journal = {Probiotics and Antimicrobial Proteins}, year = {2024}, month = {JUN}, type = {Article}, abstract = {

The rapid rise of antimicrobial resistance (AMR) is a global concern, being triggered by the overuse or misuse of antibiotics in poultry farming sector. We evaluated Lactococcus lactis subsp. lactis BIONCL17752 strain, and characterized its probiotic potential to endure hostile gastrointestinal conditions. Genome sequencing analysis revealed probiotics traits, and gene clusters involved in bacteriocins, lactococcin A, and sactipeptides production. The absence of genes for antibiotic resistance, virulence, and biogenic amine production indicates the potential of probiotic strain. The BIONCL17752 strain was explored for antibiotic-free feed supplement for growth promotor in broiler chicken. The feed supplemented with 4 x 109 CFU/kg of probiotic strain, in combination with various concentrations of fructooligosaccharides (FOS) 1.0, 2.5, and 5.0 kg/tonne in starter, grower, and finisher diets, respectively. A significant improvement of body weight 152 to 171 g/bird (p \< 0.05), and a low feed conversion ratio (FCR) of 1.62, was achieved without using synthetic antibiotics for growth promotion. The results of biochemical, hematological, and histological examinations showed normal features, indicating that the treatment had no harmful effects on the bird{\textquoteright}s health. Reduced levels of cholesterol, triglycerides, high-density lipoprotein (HDL), and low-density lipoprotein (LDL) in serum are an indication of the health benefits for the treated birds. Microbial community analysis of fecal samples of poultry birds exhibited a higher abundance of Bacteroidetes, Firmicutes, Proteobacteria, Actinobacteria, and Fusobacteria. Probiotic treatment resulted in reduced Firmicutes and increased Bacteroidetes (F/B ratio) in the broiler{\textquoteright}s gut which highlights the benefits of probiotic dietary supplements. Importantly, the probiotic-fed group exhibited a high abundance of carbohydrate-active enzymes (CAZyme) such as glycoside hydrolases (GH), glycoside transferases (GT), and carbohydrate-binding module (CBM) hydrolases which are essential for the degradation of complex sugar molecules. The probiotic potential of the BIONCL17752 strain contributes to broilers{\textquoteright} health by positively affecting intestinal microbiota, achieving optimal growth, and lowering mortality, demonstrating the economic benefits of probiotic treatment in organic poultry farming.

}, keywords = {Antibiotic growth promotor, Broiler chickens, Functional genome analysis, Growth performance, Gut microbiota, Lactococcus lactis subsp. lactis}, issn = {1867-1306}, doi = {10.1007/s12602-024-10313-4}, author = {Navale, Vishwambar D. and Yadav, Rakeshkumar and Khilari, Ajinkya and Dharne, Mahesh and Shanmugam, Dhanasekaran and Vamkudoth, Koteswara Rao} } @article {49345, title = {Discovery of free glycated amines and glycated urea in diabetic plasma: potential implications in diabetes}, journal = {ACS Omega}, volume = {9}, year = {2024}, month = {MAY }, pages = {24907-24915}, type = {Article}, abstract = {

The role of protein glycation in the pathogenesis of diabetes has been well established. Akin to proteins, free amino acids and other small-molecule amines are also susceptible to glycation in hyperglycemic conditions and may have a role in the pathogenesis of the disease. However, information about glycation of free amino acids and other small-molecule amines is relatively obscure. In the quest to discover small-molecule glycated amines in the plasma, we have synthesized glycated amino acids, glycated creatine, and glycated urea, and by using a high-resolution accurate mass spectrometer, a mass spectral library was developed comprising the precursor and predominant fragment masses of glycated amines. Using this information, we report the discovery of the glycation of free lysine, arginine, and leucine/isoleucine from the plasma of diabetic patients. This has great physiological significance as glycation of these amino acids may create their deficiency and affect vital physiological processes such as protein synthesis, cell signaling, and insulin secretion. Also, these glycated amino acids could serve as potential markers of diabetes and its complications. While other amines, such as creatinine and urea, accumulate in the plasma and act as biomarkers of diabetic nephropathy. For the first time, we report the detection of glycated urea in diabetic plasma, which is confirmed by matching the precursor and fragment masses with the in vitro synthesized glycated urea by using C-12(6) and C-13(6)-glucose. Further, we quantified glycated urea detected in two forms, monoglycated urea (MGU) and diglycated urea (DGU), by a targeted mass spectrometric approach in the plasma of healthy, diabetic, and diabetic nephropathy subjects. Both MGU and DGU showed a positive correlation with clinical parameters, such as blood glucose and HbA1c. Given that urea gets converted to glycated urea in hyperglycemic conditions, it is crucial to quantify MGU and DGU along with the urea for the diagnosis of diabetic nephropathy and study their physiological role in diabetes.

}, issn = {2470-1343}, doi = {10.1021/acsomega.4c01772}, author = {Shaikh, Rashdajabeen Q. and Das, Sancharini and Chaurasiya, Arvindkumar and Ashtamy, Murali G. and Sheikh, Amreen B. and Fernandes, Moneesha and Tiwari, Shalbha and Unnikrishnan, Ambika G. and Kulkarni, Mahesh J.} } @article {49455, title = {Early detection of KP.2 SARS-CoV-2 variant using wastewater-based genomic surveillance in Pune, Maharashtra, India}, journal = {Journal of Travel Medicine}, year = {2024}, month = {JUL}, type = {Article}, doi = {https://doi.org/10.1093/jtm/taae097}, author = {Rajput, Vinay and Das, Rashmita and Pramanik, Rinka and Nannaware, Kiran and Sushma, Y. and Taji, Nyabom and Rajput, Vishal and Rajkhowa, Riyakshi and Pacharne, Poonam and Shah, Priyanki and Gogate, Niharika and Sangwar, Poornima and Bhalerao, Asim and Jain, Nidhi and Kamble, Sanjay and Dastager, Syed and Shashidhara, L. S. and Karyakarte, Rajesh and Dharne, Mahesh} } @article {49371, title = {Editorial: microbial biodiversity and bioprospecting in polar ecosystems in the genomics era}, journal = {FRONTIERS IN MICROBIOLOGY}, volume = {15}, year = {2024}, month = {OCT }, type = {Editorial }, keywords = {diversity, FJORD}, doi = {10.3389/fmicb.2024.1504105}, author = {Rizzo, Carmen and Dastager, Syed Gulam and Ay, Hilal} } @article {49636, title = {Effect of furfural, acetic acid and 5-hydroxymethylfurfural on yeast growth and xylitol fermentation using Pichia stipitis NCIM 3497}, journal = {Biomass Conversion and Biorefinery}, volume = {14}, year = {2024}, month = {FEB}, pages = {4909-4923}, type = {Article}, abstract = {

The valorization of C5 sugars (xylose) from hemicellulose of agro-industrial residues to xylitol, as one of the multi-products biorefinery approach, mandates the pretreatment of biomass which releases fermentable sugars along with the generation of biological inhibitors affecting xylitol fermentation. This study was therefore evaluated to understand the inhibitory kinetics of furfural, 5-hydroxymethylfurfural and acetic acid on xylitol fermentation. Xylitol fermentation was established using Pichia stipitis NCIM 3497 with xylose as a pure substrate optimized for xylitol yield and productivity of 0.48 g/g of xylose and 0.13 g/L/h, respectively. The functional relationship of yeast specific growth rate and limiting substrate (xylose) was expressed by Monod-type kinetics. The inhibition kinetics results indicated that the effect of inhibitors on xylitol fermentation was furfural \> acetic acid \> HMF. Furfural (500 mg/L) and acetic acid (1000 mg/L) reduced xylitol yield by 59\% and 44\%, respectively, with least reduction of 9.89\% exhibited by HMF. The synergistic effect of 500 mg/L furfural, 500 mg/L HMF and 1000 mg/L acetic acid showed the highest reduction in xylitol yield of 67.6\% as compared to the control. Kinetic studies predicted that the maximum concentration of furfural, HMF and acetic acid which inhibited P. stipitis growth was 884 mg/L, 3258 mg/L and 2922 mg/L, respectively, whereas xylitol production was completely inhibited at 1069 mg/L furfural, 3498 mg/L HMF and 3714 mg/L acetic acid. Furfural and acetic acid were found to be a competitive inhibitor, while uncompetitive inhibition was observed with HMF indicating negligible effect on xylitol fermentation.

}, keywords = {Acetic acid, furfural, HMF, Inhibition kinetics, Pichia stipitis, Xylitol fermentation}, issn = {2190-6815}, doi = {10.1007/s13399-022-02758-w}, author = {Bhavana, B. K. and Mudliar, Sandeep N. and Bokade, V. V. and Debnath, S.} } @article {49037, title = {Effect of position of donor units and alkyl groups on dye-sensitized solar cell device performance: indoline-aniline donor-based visible light active unsymmetrical squaraine dyes}, journal = {ACS Om.}, volume = {9}, year = {2024}, month = {MAR}, pages = {16429-16442}, type = {Article}, abstract = {

Indoline (In) and aniline (An) donor-based visible light active unsymmetrical squaraine (SQ) dyes were synthesized for dye-sensitized solar cells (DSSCs), where the position of An and In units was changed with respect to the anchoring group (carboxylic acid) to have In-SQ-An-CO2H and An-SQ-In-CO2H sensitizers, AS1-AS5. Linear or branched alkyl groups were functionalized with the N atom of either In or An units to control the aggregation of the dyes on TiO2. AS1-AS5 exhibit an isomeric pi-framework where the squaric acid unit is placed in the middle, where AS2 and AS5 dyes possess the anchoring group connected with the An donor, and AS1, AS3, and AS4 dyes having the anchoring group connected with the In donor. Hence, the conjugation between the middle squaric acid acceptor unit and the anchoring -CO2H group is short for AS2, AS5, and AK2 and longer for AS1, AS3, and AS4 dyes. AS dyes showed absorption between 501 and 535 nm with extinction coefficients of 1.46-1.61 x 10(5) M-1 cm(-1). Further, the isomeric pi-framework of An-SQ-In-CO2H and In-SQ-An-CO2H exhibited by means of changing the position of In and An units a bathochromic shift in the absorption properties of AS2 and AS5 compared to the AS1, AS3, and AS4 dyes. The DSSC device fabricated with the dyes contains short acceptor-anchoring group distance (AS2 and AS5) showed high photovoltaic performances compared to the dyes having longer distance (AS1, AS3, and AS4) with the iodolyte (I-/I-3(-)) electrolyte. DSSC device efficiencies of 5.49, 6.34, 6.16, and 5.57\% have been achieved for AS1, AS2, AS3, and AS4 dyes, respectively; without chenodeoxycholic acid (CDCA), small changes have been observed in the device performance of the AS dyes with CDCA. Significant changes have been noted in the DSSC parameters (open-circuit voltage V-OC, short-circuit current J(SC), fill factor ff, and efficiency eta) for the AS5 dye while sensitized with CDCA and showed highest DSSC efficiency of 8.01\% in the AS dye series. This study revealed the potential of shorter SQ acceptor-anchoring group distance over the longer one and the importance of alkyl groups on the overall DSSC device performance for the unsymmetrical squaraine dyes.

}, issn = {2470-1343}, doi = {10.1021/acsomega.4c00123}, author = {Singh, Amrita and Singh, Ambarish Kumar and Dixit, Ruchi and Vanka, Kumar and Krishnamoorthy, Kothandam and Nithyanandhan, Jayaraj} } @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 {49079, title = {Electrocatalytic glycerol conversion: a low-voltage pathway to efficient carbon-negative green hydrogen and value-added chemical production}, journal = {ACS Applied Materials and Interfaces }, volume = {16}, year = {2024}, month = {MAY }, pages = {26130-26141}, type = {Article}, abstract = {

Electrochemical glycerol oxidation reaction (GLYOR) could be a promising way to use the abundantly available glycerol for production of value-added chemicals and fuels. Completely avoiding the oxygen evolution reaction (OER) with GLYOR is an evolving strategy to reduce the overall cell potential and generate value-added chemicals and fuels on both the anode and cathode. We demonstrate the morphology-controlled palladium nanocrystals, afforded by colloidal chemistry, and their established morphology-dependent GLYOR performance. Although it is known that controlling the morphology of an electrocatalyst can modulate the activity and selectivity of the products, still it is a relatively underexplored area for many reactions, including GLYOR. Among nanocube (Pd-NC), truncated octahedron (Pd-TO), spherical and polycrystalline (Pd-PC) morphologies, the Pd-NC electrocatalyst deposited on a Ni foam exhibits the highest glycerol conversion (85\%) along with 42\% glyceric acid selectivity at a low applied potential of 0.6 V (vs reversible hydrogen electrode (RHE)) in 0.1 M glycerol and 1 M KOH at ambient temperature. Owing to the much favorable thermodynamics of GLYOR on the Pd-NC surface, the assembled electrolyzer requires an electricity input of only similar to 3.7 kWh/m(3) of H-2 at a current density of 100 mA/cm(2), in contrast to the requirement of \>= 5 kWh/m(3) of H-2 with an alkaline/PEM electrolyzer. Sustainability has been successfully demonstrated at 10 and 50 mA/cm(2) and up to 120 h with GLYOR in water and simulated seawater.

}, keywords = {electrocatalysis, Glycerol, green hydrogen, nanocube, Palladium, SDG}, issn = {1944-8244}, doi = {10.1021/acsami.4c02392}, author = {Chauhan, Inderjeet and Bajpai, Himanshu and Ray, Bishakha and Kolekar, Sadhu K. and Datar, Suwarna and Patra, Kshirodra Kumar and Gopinath, Chinnakonda S.} } @article {48992, title = {Electrochemical energy storage in an organic supercapacitor via a non-electrochemical proton charge assembly}, journal = {Chemical Science}, volume = {15}, year = {2024}, month = {JAN }, pages = {1726-1735}, type = {Article}, abstract = {

Contrary to conventional beliefs, we show how a functional ligand that does not exhibit any redox activity elevates the charge storage capability of an electric double layer via a proton charge assembly. Compared to an unsubstituted ligand, a non-redox active carboxy ligand demonstrated nearly a 4-fold increase in charge storage, impressive capacitive retention even at a rate of 900C, and approximately a 2-fold decrease in leakage currents with an enhancement in energy density up to approximately 70\% via a non-electrochemical route of proton charge assembly. Generalizability of these findings is presented with various non-redox active functional units that can undergo proton charge assembly in the ligand. This demonstration of non-redox active functional units enriching supercapacitive charge storage via proton charge assembly contributes to the rational design of ligands for energy storage applications.

}, issn = {2041-6520}, doi = {10.1039/d3sc05639b}, author = {Mukhopadhyay, Sanchayita and Kottaichamy, Alagar Raja and Devendrachari, Mruthyunjayachari Chattanahalli and Mendhe, Rahul Mahadeo and Kotresh, Harish Makri Nimbegondi and Vinod, Chathakudath Prabhakaran and Thotiyl, Musthafa Ottakam} } @article {49071, title = {Electrochemical property of nanosphere-like MgO electrode synthesized via SILAR in asymmetric supercapacitor}, journal = {Journal of Materials Science-Materials in Electronics}, volume = {35}, year = {2024}, month = {FEB}, pages = {363}, type = {Article}, abstract = {

In this research article, we synthesized nanospheres of MgO thin-film substrate using the successive ionic layer adsorption and reaction (SILAR) technique on stainless steel substrates. The final optimized sample was used for physical characterization. XRD revealed the cubic structure of the MgO electrode. Additionally, it was utilized for electrochemical supercapacitive characterization, including cyclic voltammetry (CV), chronopotentiometry, and electrochemical impedance spectroscopy (EIS). Results showed that MgO nanospheres exhibited a higher specific capacitance (SC) of 536.06 F/g. The maximum values of specific energy and specific power were 30.79 Wh/kg and 1420 W/kg, respectively, at 2 mA/cm2 in 1-M KOH. The EIS plot confirmed an internal resistance (Ri) of 0.86 omega, indicating good power performance and outstanding rate capability of MgO nanospheres. This material demonstrated excellent cycling capability, retaining 91.38\% capacitance after 5000 CV cycles. The MgO//AC device displayed an SC of 210.21 F/g at 5 mV/s in a PVA-KOH solid-state electrolyte. With an energy density of 23.90 Wh/kg and a power density of 1.84 kW/kg, the asymmetric supercapacitor performance showed that the MgO-based electrode is suitable for use in actual device manufacturing. After 5000 CV cycles, the supercapacitor device exhibited exceptional capacitance retention of 92.93\%. Thus, this research successfully demonstrated the usefulness of the simple and affordable SILAR method for synthesizing pure MgO nanostructures for application in supercapacitors.

}, issn = {0957-4522}, doi = {10.1007/s10854-024-12196-1}, author = {Gaikwad, D. S. and Bobade, R. G. and Suryawanshi, V. B. and Nakate, U. T. and Shaikh, S. F. and Al-Enizi, Abdullah M. and Dabke, N. B. and Lokhande, B. J. and Ambare, Revanappa C.} } @article {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 {49407, title = {Enhanced disinfection efficiency using Cu vortex diode for providing safe drinking water: devising newer methodologies}, journal = {Environmental Quality Management}, volume = {34}, year = {2024}, month = {JUL}, abstract = {

The present research aims to refine the hydrodynamic cavitation technique with traditional knowledgebase of Ayurveda for more efficient water disinfection and that has huge potential for implementation in real life, especially for substituting the existing chlorination method for drinking water treatment. The study incorporates use of newer copper reactor configuration, employing vortex flow for generating cavitation for the disinfection of water. Elimination of model contaminant,\ Escherichia coli, with initial concentration of \~{}105\ CFU/mL of bacteria was used for the disinfection study. Copper vortex diode with a capacity of 1\ m3/h was employed as a cavitating device. The cavitation using copper vortex diode gave significantly higher disinfection, over 30\%, compared that with conventional vortex diode, with aluminum as material of construction, under similar conditions. Remarkably, the addition of 0.1\% betel leaf oil led to an extraordinary 260-fold increase in the rate of disinfection, requiring only a single pass to achieve complete bacteria elimination. Furthermore, a notably high synergistic index of 246.96 was achieved for the process intensification approach using the Cu vortex diode. The cost was substantially reduced by approximately three times to 0.011\ $/m3\ using the Cu vortex diode compared to the conventional vortex diode. The developed strategy offers significantly enhanced performance, as well as a techno-economical and sustainable solution for drinking water treatment to ensure the provision of safe drinking water. Moreover, the newer methodology can have the advantage of producing no harmful carcinogenic disinfection by-products compared to chemical disinfection processes apart from sustainable alternative to chlorination.

}, doi = {https://doi.org/10.1002/tqem.22279}, author = {Dixit, Divya and Balapure, Kshama and Bhandari, Vinay M.} } @article {49182, title = {Environment friendly synthesis of reduced graphene oxide from spent lithium-ion battery graphite and its nanocomposite with MoO3 nanorods for photocatalytic hydrogen evolution}, journal = {Energy \& Fuels}, volume = {38}, year = {2024}, month = {NOV }, pages = {22376-22392}, type = {Article}, abstract = {

Photocatalytic water splitting from solar H2 generation systems is of great interest as a sustainable fuel and an environmentally benign approach. A photocatalyst should be cost-efficient and highly productive to obtain a green H2 fuel. Thus, photocatalytic water splitting is significant for real-world applications. In the present work, we have successfully synthesized MoO3@rGO nanocomposite material with heterojunction as a stable and high-performance photocatalyst for the H2 evolution reaction in deionized (DI) water and natural seawater. First, MoO3 was prepared through a low-temperature hydrothermal method and composites with graphene oxide (GO) and reduced graphene oxide (rGO) precursors, followed by ultrasonication. rGO was obtained from GO, which is obtained from the spent graphite (anode material) by the modified Hummer{\textquoteright}s method. The rGO powder was reduced by an ascorbic acid-reducing agent under microwave irradiation using GO. The nanocomposite materials were characterized using XRD, Raman spectra, XPS, photoluminescence, FE-SEM, HR-TEM, and BET. The photocatalytic water splitting ability of MoO3@rGO was measured under visible light (lambda \>= 420 nm) irradiation with the TEOA sacrificial reagent. The H2 generation rate in DI water and natural seawater was found to be 2183.41 and 2294.26 mu mol g-1 h-1, with an apparent quantum efficiency (AQE) of 5.72 and 5.98\%, respectively. Such a high rate of H2 generated is ascribed to the novel surface contact between MoO3 and the rGO sheet as evident from HR-TEM images, wherein the rGO sheet is seen wrapped around MoO3. Consequently, the synergistic effect between MoO3 and rGO sheets is expected without the use of any other cocatalysts. Thus, electron-hole recombination is significantly minimized during the water reduction reaction. We believe that the MoO3@rGO nanocomposite is a potential photocatalyst for energy production.

}, issn = {0887-0624}, doi = {10.1021/acs.energyfuels.4c03975}, author = {Kangutkar, Raju S. and Walko, Priyanka and Athira, K. and Manjanna, J. and Devi, R. Nandini} } @article {49377, title = {Establishing a new efficiency descriptor for methanol oxidation reaction and its validation with commercially available Pt-based catalysts}, journal = {Fuel Cells}, volume = {24}, year = {2024}, month = {JUN}, type = {Article}, abstract = {

Direct methanol fuel cells (DMFCs) have received a lot of attention in recent years as promising technology for generating clean and efficient energy. In DMFC, the anode catalyst is a vital component because it is involved in the oxidation of methanol, which produces electrons that can be used as an energy source. Cyclic voltammetry (CV) is commonly used to test the characteristics of the electrode materials before they are employed in the actual fuel cell. Interestingly in the case of DMFCs CV also is a useful technique to obtain vital information about the performance and expected efficiency of the electrodes. In general, the CV of methanol electrooxidation for Pt-based catalysts has two peaks, If in the forward scan (anodic scan) and Ib in the backward scan (cathodic scan). The ratio of these two peaks (If/Ib) is the most commonly used criterion for investigating CO poisoning in catalysts. However, there is a great deal of ambiguity surrounding this criterion, owing to the genesis of Ib. Addressing this we present here a new criterion to evaluate the efficiency of the catalyst using the same CV technique. We validate this newly proposed criterion with commercial Pt/C (comm. Pt/C) and other commercially available alloy catalysts.

}, keywords = {catalyst poisoning, CO tolerance, direct methanol fuel cells, electrocatalysis, Methanol oxidation reaction}, issn = {1615-6846}, doi = {10.1002/fuce.202300199}, author = {Deshpande, Pooja S. and Radhakrishnan, Thulasi and Prasad, Bhagavatula L. V.} } @article {49014, title = {Experimental and kinetic modelling studies for the design of fixed bed methanol reactor over CuZA catalyst}, journal = {Chemical Engineering Research Design }, volume = {205}, year = {2024}, month = {MAY}, pages = {79-90}, type = {Article}, abstract = {

Direct conversion of CO 2 via hydrogenation to value-added chemicals is a vital approach for utilising CO 2 emitted into the atmosphere. In this paper, a critical analysis of reaction kinetic modelling studies is explored in a fixed bed reactor to improve methanol yield for different H 2 to CO 2 ratios by simulating a lab-scale reactor for adiabatic and isothermal conditions. The feed inlet temperature and pressure variations are applied to study the effect of both configurations on methanol production. The results show that the isothermal configuration yields 2.76\% more methanol yield compared to the adiabatic reactor. The effect of H 2 to CO 2 molar ratios of 3, 6 and 9 on the performance of the catalyst and the influence of CO and CO 2 hydrogenation is investigated with model simulations. The overall methanol yield is increased from 19.03\% to 36.41\% with increase in H 2 to CO 2 molar ratio from 3 to 9. Experiments are performed using commercial copper-based catalyst for different temperatures of 210, 230 and 250 degrees C at a pressure of 40 bar for H 2 /CO 2 of 3 and GHSV of 720 h -1 as well as at optimal temperature of 250 degrees C and 50 bar with varying H 2 /CO 2 of 3, 6, 9 for 3 g and 6 g catalyst. The maximum methanol yield of 2.53\% and space time yield of 13.59 mg/g cat .h is obtained at H 2 /CO 2 ratio of 9.

}, keywords = {CO2 conversion, CuZA catalyst, H2 toCO2 molar ratio, Kinetic modelling, Methanol}, issn = {0263-8762}, doi = {10.1016/j.cherd.2024.03.032}, author = {Bagwan, Farahanaz M. and Dongapure, Pavan and Kulkarni, Amol A. and Vasireddy, Satyam Naidu} } @article {49423, title = {Explainable AI-assisted web application in cancer drug value prediction}, journal = {MethodsX}, volume = {12}, year = {2024}, month = {JUN}, type = {Article}, abstract = {
In recent years, there has been an increase in the interest in adopting Explainable Artificial Intelligence (XAI) for healthcare. The proposed system includes
While the model is evaluated on Lung Cancer data, the architecture offered in the proposed solution is cancer agnostic. It may be scaled out to other cancer cell data if the properties are similar. The work presents a viable route for customizing treatments and improving patient outcomes in oncology by combining XAI with a large dataset. This research attempts to create a framework where a user can upload a test case and receive forecasts with explanations, all in a portable PDF report.
}, author = {Kothari, Sonali and Sharma, Shivanandana and Shejwal, Sanskruti and Kazi, Aqsa and D{\textquoteright}Silva, Michela and Karthikeyan, M.} } @article {49605, title = {An explainable AI-assisted web application in cancer drug value prediction}, journal = {MethodsX}, volume = {12}, year = {2024}, month = {JUN}, pages = {102696}, type = {Article}, abstract = {
In recent years, there has been an increase in the interest in adopting Explainable Artificial Intelligence (XAI) for healthcare. The proposed system includes
While the model is evaluated on Lung Cancer data, the architecture offered in the proposed solution is cancer agnostic. It may be scaled out to other cancer cell data if the properties are similar. The work presents a viable route for customizing treatments and improving patient outcomes in oncology by combining XAI with a large dataset. This research attempts to create a framework where a user can upload a test case and receive forecasts with explanations, all in a portable PDF report.
}, doi = {https://doi.org/10.1016/j.mex.2024.102696}, author = {Kothari, Sonali and Sharma, Shivanandana and Shejwal, Sanskruti and Kazi, Aqsa and D{\textquoteright}Silva, Michela and Karthikeyan, M.} } @article {49376, title = {Exploring novel cocrystals of milrinone: a cardioprotective drug combined with nutraceuticals and an NSAID}, journal = {CrystEngComm}, volume = {27}, year = {2024}, month = {DEC}, pages = {138-145}, type = {Article}, abstract = {

Milrinone is a bipyridine phosphodiesterase (PDE) inhibitor of the second generation. It{\textquoteright}s a PDE-III antagonist that raises cAMP levels to support heart function and acts as a systemic vasodilator in chronic decongested cardiovascular illness. It is categorised as class II in the Biopharmaceutics Classification System (BCS), indicating that it exhibits poor aqueous solubility and high permeability. Three new cocrystals of the cardioprotective drug milrinone (MR) with two nutraceuticals, e.g. sesamol (SES) and resveratrol (RES), and an anti-inflammatory drug, e.g. niflumic acid (NIF), were successfully synthesised using mechanochemical and solution crystallisation techniques. Thermal analysis (DSC and TGA) and diffraction tools (PXRD and SCXRD) were used to obtain structural insights into all the cocrystals. Their crystal structures indicate that the dimeric interactions in MR are preserved in the crystal structures in addition to carboxylic acid/phenol \& ctdot;pyridine heterosynthons. Among the three synthesized molecular solids, MR.SES was more soluble than the native drug. The solubility of the cocrystals was correlated with polar surface contacts, the solubility of the coformer and melting points (inversely). We believe that the new MR.SES cocrystal offers a novel approach to enhance the drug{\textquoteright}s solubility, which may have a positive impact on its synergistic cardioprotective effects.

}, doi = {10.1039/d4ce00990h}, author = {Kenguva, Gowtham and Rekha Rout, Smruti and Shaikh, Tabrez R. and Baidya, Debjani and Shelke, Nikita and Sanphui, Palash and Dandela, Rambabu} } @article {49372, title = {Exploring thermocatalytic pyrolysis to derive sustainable chemical intermediates from plastic waste; role of temperature, catalyst, and reactor conditions}, journal = {Journal of the Indian Institute of Science}, volume = {104}, year = {2024}, month = {APR}, pages = {383-394}, type = {Review}, abstract = {

Plastic waste is a growing concern globally on account of the increasing use of plastic worldwide, compounded by single-use applications, poor waste collection and management practices, and its consequent leakage into the environment. In addition, plastics are derived from non-renewable fossil resources, and their growing demand is also partly responsible for greenhouse gas emissions and climate change. The aim of this paper is to explore the potential of plastic waste as a material resource, and thermocatalytic pyrolysis as a recycling process, to produce aliphatic and aromatic hydrocarbons, which are important chemical intermediates for various industries. We show that plastic pyrolysis can achieve a high yield of liquid hydrocarbons (similar to 80\%) with a suitable distribution of aliphatic and aromatic compounds, by using different pyrolysis conditions and a catalyst. Specifically, this paper demonstrates the possibility of deriving two key classes of hydrocarbons, i.e., aliphatic (C10-C20 hydrocarbons) and aromatic hydrocarbons (xylene, toluene and benzene derivatives) with a yield of similar to 80\% liquid hydrocarbons via catalytic pyrolysis. We also briefly discuss the challenges and opportunities, and the environmental and economic implications.

}, issn = {0970-4140}, doi = {10.1007/s41745-024-00447-3}, author = {Venkataraghavan, R. and Bhure, Arvind and Khan, Tufeil Sartaj and Shikare, Dipak and Devi, R. Nandini and Dhepe, Paresh Laxmikant} } @article {49021, title = {Exploring unconventional σ-hole interactions: computational insights into the interaction of XeO3 with non-aromatic coordinating solvents}, journal = {Chemphyschem}, volume = {25}, year = {2024}, month = {MAR}, type = {Article}, abstract = {

In order to control the explosiveness and shock sensitivity of XeO3, we have investigated its plausible interaction with various non-aromatic coordinating solvents, serving as potential Lewis base donors, through density functional theory (DFT) calculations. Out of twenty six such solvents, the top ten were thus identified and then thoroughly examined by employing various computational tools such as the mapping of the electrostatic potential surface (MESP), Wiberg bond indices (WBIs), non-covalent interaction (NCI) plots, Bader{\textquoteright}s theory of atoms-in-molecules (AIM), natural bond orbital (NBO) analysis, and the energy decomposition analysis (EDA). The amphoteric nature of XeO3 was also explored by investigating the extent of back donation from the lone pair of Xe to the antibonding orbital of the donating atom/group of the solvent molecules. The C-H \& mldr;O interactions were also found to be a contributing factor in the stabilization of these adducts. Although these aerogen-bonding interactions were found to be predominantly electrostatic, significant contributions from the orbital contributions, as well as dispersion interactions, were observed. The top three non-aromatic solvents (among the twenty six studied) which form the strongest adducts with XeO3 are proposed to be hexamethylphosphoramide (HMPA), N,N {\textquoteleft}-dimethylpropyleneurea (DMPU) and tetramethylethylenediamine (TMEDA).

}, keywords = {Aerogen bonding, Non-Aromatic Solvents, non-covalent interactions, Sigma-hole, XeO3}, issn = {1439-4235}, doi = {10.1002/cphc.202300908}, author = {Dash, Soumya Ranjan and Vanka, Kumar} } @article {49064, title = {Extraction, characterization, and life cycle assessment of nanosilica from millet husk: sustainable alternative with low environmental impact}, journal = {Journal of Cleaner Production }, volume = {442}, year = {2024}, month = {FEB}, pages = {140924}, type = {Article}, abstract = {

Eco-friendly approaches for silica production are highly researched to respond increasing industrial demand for bio-nanofillers. Herein, nanosilica of 10-20 nm with mesoporosity was obtained through a mild oxalic acid pre-treatment of millet husk, followed by calcination at 700 degrees C for 2 h. Compared with commercial precipitated silica (CS) and millet husk ash (MHA) directly obtained by calcination of the husk, the pre-treated silica (MHS) had higher purity, revealed using EDX spectroscopy. Moreover, FTIR and Si-29 NMR showed a higher condensation degree in MHS with 73\% of Q4 siloxane bonds vs 4\% in MHA. The release of the metal and organic impurities from the husk also allows to reduce the crystallinity of MHS, and to increase the specific surface area from 82 m(2)/g in MHA to 238 m(2)/g in MHS. The type II N-2 adsorption-desorption isotherms of MHA and MHS indicate aggregates of non-porous silica particles. MHS also demonstrated remarkable thermal resilience. According to the LCA analysis, MHS has a 40\% lower impact on global warming, a 38\% lower impact on human carcinogenic toxicity, and a 38\% lower impact on terrestrial acidification compared to rice husk nanosilica. This research thus addresses sustainability challenges by repurposing millet husks, which are readily available due to continuous millet cultivation, particularly in India. By reducing the ecological impact of husk disposal through burning, this study offers an economically viable technology for high-purity silica production, aligning with global efforts to combat climate change and promote sustainable practices.

}, keywords = {Life cycle assessment, Millet husk, Nanosilica, Oxalic acid}, issn = {0959-6526}, doi = {10.1016/j.jclepro.2024.140924}, author = {Dominic, C. D. Midhun and Rosa, Derval dos Santos and Barbosa, Rennan Felix da Silva and Anagha, O. V. and Neenu, K. V. and Begum, P. M. Sabura and Kumar, V. Aswathy and Parameswaranpillai, Jyotishkumar and Siriwong, Chomsri and Ajithkumar, T. G. and Shelke, Ankita and Pasc, Andreea} } @article {49327, title = {Extrusion 3D printing of intrinsically fluorescent thermoplastic polyimide: revealing an undisclosed potential}, journal = {POLYMERS}, volume = {16}, year = {2024}, month = {OCT}, type = {Journal Article}, keywords = {Additive manufacturing, functional extrusion, high-performance polymers, thermoplastic polyimide}, doi = {10.3390/polym16192798}, author = {Kothavade, Premkumar and Kafi, Abdullah and Dekiwadia, Chaitali and Kumar, Viksit and Sukumaran, Santhosh Babu and Shanmuganathan, Kadhiravan and Bateman, Stuart} } @article {49115, title = {Facile chemical synthesis of BaO:MgO nanorods for designing distinctive solid-state asymmetric supercapacitor device with activated carbon}, journal = {Journal of Energy Storage}, volume = {84}, year = {2024}, month = {APR}, pages = {110776}, type = {Article}, abstract = {

The successive ionic layer adsorption and reaction (SILAR) technique was adapted to produce the interconnected complex network of BaO:MgO nanorods on a flexible stainless-steel (SS) substrate surface. The phase and surface morphology of the BaO:MgO electrode were examined from the X-ray diffraction and scanning electron microscopy measurements, respectively, which endowed electrochemical specific capacitance (SC) of 528.77 F/g at a 2 mV/s scan rate with great rate capability and cycling performance of 94.33 \% over 5000 cyclic voltammetry cycles. Fabricated BaO:MgO//AC asymmetric solid-state supercapacitor device, using polyvinyl alcohol and potassium hydroxide gel as an electrolyte, demonstrated distinctive energy storage performance, i.e., a specific capacitance (SC) of 259.07 F/g with an energy density of 57.27 Wh/kg and a power density of 2.34 kW/kg at a current density of 4 mA/cm(2). The results demonstrated the facile method for synthesizing a spherical nanorod network of BaO:MgO and made them promising electrode materials for energy storage applications. The use of a solid-state supercapacitor device to illuminate an LED demonstrated the commercial feasibility of both the materials utilized and the design type.

}, keywords = {activated carbon, ASSD device, BaO:MgO, SILAR, supercapacitor}, issn = {2352-152X}, doi = {10.1016/j.est.2024.110776}, author = {Bobade, Rushikesh G. and Dabke, Niteen B. and Shaikh, Shoyebmohamad F. and Lokhande, Balkrushna J. and Mane, Rajaram S. and Ambare, Revanappa C.} } @article {49657, title = {Feedback driven autonomous cycles of assembly and disassembly from minimal building blocks}, journal = {Nature Communications}, volume = {15}, year = {2024}, month = {NOV}, pages = {9980}, type = {Article}, abstract = {

The construction of complex systems by simple chemicals that can display emergent network dynamics might contribute to our understanding of complex behavior from simple organic reactions. Here we design single amino acid/dipeptide-based systems that exhibit multiple periodic changes of (dis)assembly under non-equilibrium conditions in closed system, importantly in the absence of evolved biocatalysts. The two-component based building block exploits pH driven non-covalent assembly and time-delayed accelerated catalysis from self-assembled state to install orthogonal feedback loops with a single batch of reactants. Mathematical modelling of the reaction network establishes that the oscillations are transient for this network structure and helps to predict the relative contribution of the feedback loop to the ability of the system to exhibit such transient oscillation. Such autonomous systems with purely synthetic molecules are the starting point that can enable the design of active materials with emergent properties. The study of the network dynamics of complex systems formed by simple chemicals can contribute to our understanding of complex behavior from simple organic reactions. Here, built on the minimal building blocks, the authors describe a system with periodic (dis)assembly utilizing feedback loops controlled by time-delayed catalysis and pH-driven assembly.

}, doi = {10.1038/s41467-024-54197-y}, author = {Reja, Antara and Jha, Sangam and Sreejan, Ashley and Pal, Sumit and Bal, Subhajit and Gadgil, Chetan and Das, Dibyendu} } @article {49103, title = {Fictibacillus fluitans sp. nov., isolated from freshwater pond}, journal = {Archives of Microbiology }, volume = {206}, year = {2024}, month = {FEB}, pages = {70}, type = {Article}, abstract = {

A Gram-positive, aerobic, rod-shaped, spore-forming bacterium, designated NE201(T), was isolated from a freshwater pond in Village Nerur, India. Growth was observed in the range of 15-45 degrees C temperature with optimum at 30 degrees C, pH range of 5-9 (optimum at 7.0), and at concentrations of NaCl ranging between 0 and 14\% (optimum 0\%, w/v). The 16S rRNA gene sequence showed the highest similarity with Fictibacillus enclensis NIO-1003(T) (JF893461) at 99.01\% followed by F. rigui WPCB074(T) (EU939689) at 98.9\% and F. solisalsi CGMCC 1.6854(T) (EU046268) at 98.66\%. The digital DNA-DNA hybridization (dDDH) and orthoANI values for strain NE201(T) against F. enclensis NIO-1003(T) (GCA_900094955.1) were 33.7\% and 87.68\%, respectively. The phylogenetic analysis based on the 16S rRNA gene, 92 core genes derived from the genome, and 20 proteins involving over 20,236 amino acid positions revealed the distinct phylogenetic position of strain NE201(T) and the formation of a clearly defined monophyletic clade with F. enclensis. The strain NE201(T) showed a unique carbon utilization and assimilation pattern that differentiated it from F. enclensis NIO-1003(T). The major fatty acids were anteiso -C-15:0 (51.42\%) and iso-C-15:0 (18.88\%). The major polar lipids were phosphatidylglycerol (PG), phosphatidylethanolamine (PE, and diphosphatidylglycerol (DPG). The antiSMASH analyzed genome of NE201(T) highlighted its diverse biosynthetic potential, unveiling regions associated with terpene, non-ribosomal peptide synthetases (NRPS), lassopeptides, NI-siderophores, lanthipeptides (LAP), and Type 3 Polyketide Synthases (T3PKS). The overall phenotypic, genotypic, and chemotaxonomic characters strongly suggested that the strain NE201(T) represents a novel species of genus Fictibacillus for which the name Fictibacillus fluitans sp. nov. is proposed. The type strain is NE201(T) (= MCC 5285 = JCM 36474).

}, keywords = {Bacillus, Fictibacillus, Freshwater bacteria}, issn = {0302-8933}, doi = {10.1007/s00203-023-03794-4}, author = {Yadav, Amit and Maurya, Akanksha and Bhavsar, Yash and Teware, Ruchi and Bhatt, Agrima and DaCosta, Elaine and Thorat, Vipool and Kirdat, Kiran and Dastager, Syed G.} } @article {48981, title = {Flagellar motor protein-targeted search for the druggable site of Helicobacter pylori}, journal = {Physical Chemistry Chemical Physics }, volume = {26}, year = {2024}, month = {JAN }, pages = {2111-2126}, type = {Article}, abstract = {

The deleterious impact of Helicobacter pylori (H. pylori) on human health is contingent upon its ability to create and sustain colony structure, which in turn is dictated by the effective performance of flagella - a multi-protein rotary nanodevice. Hence, to design an effective therapeutic strategy against H. pylori, we here conducted a systematic search for an effective druggable site by focusing on the structure-dynamics-energetics-stability landscape of the junction points of three 1 : 1 protein complexes (FliF(C)-FliG(N), FliG(M)-FliM(M), and FliY(C)-FliN(C)) that contribute mainly to the rotary motion of the flagella via the transformation of information along the junctions over a wide range of pH values operative in the stomach (from neutral to acidic). We applied a gamut of physiologically relevant perturbations in the form of thermal scanning and mechanical force to sample the entire quasi - and non-equilibrium conformational spaces available for the protein complexes under neutral and acidic pH conditions. Our perturbation-induced magnification of conformational distortion approach identified pH-independent protein sequence-specific evolution of precise thermally labile segments, which dictate the specific thermal unfolding mechanism of each complex and this complex-specific pH-independent structural disruption notion remains consistent under mechanical stress as well. Complementing the above observations with the relative rank-ordering of estimated equilibrium binding free energies between two protein sequences of a specific complex quantifies the extent of structure-stability modulation due to pH alteration, rationalizes the exceptional stability of H. pylori under acidic pH conditions, and identifies the pH-independent complex-sequence-segment-residue diagram for targeted drug design.

}, issn = {1463-9076}, doi = {10.1039/d3cp05024f}, author = {Tammara, Vaishnavi and Angrover, Ruchika and Sirur, Disha and Das, Atanu} } @article {49078, title = {Flow and clogging behavior of a mixture of particles in a silo}, journal = {Physics of Fluids }, volume = {36}, year = {2024}, month = {MAY}, type = {Article}, abstract = {

We investigated the clogging behavior observed during the flow of aspherical particles from a silo in the presence of spherical particles of different sizes and proportions using flow visualization experiments and discrete element method simulations. The size of the avalanche, essentially the tendency of clogging, exhibits non-monotonic dependence on the spherical particle volume fraction. For small enough content of spherical particles, the clogging tendency intensifies, whereas it reduces rapidly for high enough spherical particle fractions, with a minimum in between. The non-monotonic behavior is observed to persist over for different spherical particle sizes. The overall behavior is shown to arise due to competing effects between the localized total particle fraction influencing avalanche strength and mean size of the particles exiting the silo, influencing the probability of arch formation.

}, issn = {1070-6631}, doi = {10.1063/5.0205141}, author = {Bhure, Sukhada C. and Doshi, Pankaj and Orpe, Ashish V.} } @article {49102, title = {Genome sequencing and protein modeling unraveled the 2AP biosynthesis in Bacillus cereus DB25}, journal = {International Journal of Food Microbiology}, volume = {413}, year = {2024}, month = {MAR }, pages = {110600}, type = {Article}, abstract = {

2-Acetyl-1-pyrroline (2AP) is an important and major flavor aroma compound responsible for the fragrance of basmati rice, cheese, wine, and several other food products. Biosynthesis of 2AP in aromatic rice and a few other plant species is associated with a recessive Betaine aldehyde dehydrogenase 2 (BADH2) gene. However, the literature is scant on the relationship between the functional BADH2 gene and 2AP biosynthesis in prokaryotic systems. Therefore, in the present study, we aimed to explore the functionality of the BADH2 gene for 2AP biosynthesis in 2AP synthesizing rice rhizobacterial isolate Bacillus cereus DB25 isolated from the rhizosphere of basmati rice (Oryza sativa L.). Full-length BcBADH2 sequence was obtained through whole genome sequencing (WGS) and further confirmed through traditional PCR and Sanger sequencing. Then the functionality of the BcBADH2 gene was evaluated in-silico through bioinformatics analysis and protein docking studies and further experimentally validated through enzyme assay. The sequencing and bioinformatics analysis results revealed a full-length 1485 bp BcBADH2 coding sequence without any deletion or premature stop codons. Full-length BcBADH2 was found to encode a fully functional protein of 54.08 kDa with pI of 5.22 and showed the presence of the conserved amino acids responsible for enzyme activity. The docking studies confirmed a good affinity between the protein and its substrate whereas the presence of BcBADH2 enzyme activity confirmed the functionality of BADH2 enzyme in B. cereus DB25. In conclusion, the findings of the present study suggest that B. cereus DB25 is able to synthesize 2AP despite a functional BADH2 gene and there may be a different molecular mechanism responsible for 2AP biosynthesis in bacterial systems, unlike that found in aromatic rice and other eukaryotic plant species.

}, keywords = {2-Acetyl-1-pyrroline, Basmati rice flavor, Betaine aldehyde dehydrogenase 2, Protein-ligand docking, Rhizobacteria, Whole-genome sequence}, issn = {0168-1605}, doi = {10.1016/j.ijfoodmicro.2024.110600}, author = {Dhondge, Harshal V. and Barvkar, Vitthal T. and Dastager, Syed G. and Dharne, Mahesh S. and Rajput, Vinay and Pable, Anupama A. and Henry, Robert J. and Nadaf, Altafhusain B.} } @article {49432, title = {Glory of fire retardants in Li-ion batteries: could they be intrinsically safer?}, journal = {Advanced Sustainable Systems}, volume = {8}, year = {2024}, month = {OCT}, pages = {2400273}, type = {Article}, abstract = {

Lithium-ion batteries (LIBs) have dramatically transformed modern energy storage, powering a wide range of devices from portable electronics to electric vehicles, yet the use of flammable liquid electrolytes raises thermal safety concerns. Researchers have investigated several ways to enhance LIB{\textquoteright}s fire resistance. Fire retarding molecules functions through cooling effects, scavenging radicals, and forming protective barriers. Incorporating fire-suppressing molecules within the LIBs aims to delay or mitigate thermal runaway scenarios, reducing the risks of fires or explosions. Achieving an optimal balance between safety and performance is a major obstacle in the design of intrinsically safer LIBs. Therefore, it is important to consider their effects on LIB{\textquoteright}s performance, long-term stability, and environmental impact. To overcome these challenges, collaborative research efforts among academia, industry, and regulatory sectors are necessary. This article reviews state-of-the-art literature associated with LIBs safety or even fire mitigation by introducing solid-state or quasi-solid-state electrolytes as well as modified liquid electrolytes. Moreover, the effectiveness of various strategies in making LIBs intrinsically safer is critically evaluated with an emphasis on fire retardants followed by shedding some light on the remaining challenges.

}, author = {Mishra, Rajat and Anne, Mounika and Das, Sayan and Chavva, Tarunikaa and Shelke, Manjusha V. and Pol, Vilas G.} } @article {49638, title = {Harnessing the potential of Achromobacter sp. M1 to remediate heavy metals from wastewater: genomic insights and environmental applications}, journal = {Journal of Hazardous Materials}, volume = {480}, year = {2024}, month = {DEC}, pages = {136125}, type = {Article}, abstract = {

Lead, mercury, and cadmium are classified as toxic under the toxic Substances{\textquoteright} Priority List by CDC-ATSDR (Center for Disease Control-Agency for Toxic Substances and Disease Registry). This toxic trio is capable of disrupting the one-health harmony due to its human, animal, and environmental hazards. The present study aimed in removing the toxic trio within 24 h using a novel Achromobacter sp. M1. Atomic absorption spectroscopic evaluation for removal efficiency of Pb, Hg, and Cd by M1 was 68.8 +/- 0.9\%, 82.7 +/- 1.9\%, and 94.9 +/- 1.2 \%, respectively, within 24 h. Lab-scale evaluation of strain M1 with wastewater showed the removal of the toxic trio together with the reduction in TSS from 140 to 118 ppm, BOD from 100 to 58 ppm, and COD from 381 to 222 ppm. Furthermore, strain M1 was capable of mitigating heavy metal stress and promoting plant growth, evidenced through chlorophyll, malondialdehyde, and proline estimation, together with the production of indole acetic acid (23.84 mu g/mL), siderophore (85 \%), and solubilization of silica (39.66 mu g/mL). Whole genome sequencing revealed an ANI of 89 \%, indicating a novel species of Achromobacter genus. A total of 23 putative genes for Cd, Hg, and Pb resistance were identified through genome mining.

}, keywords = {Achromobacter sp. M1, Metal biosorption, Metal transporters, Toxic trio, Whole genome}, issn = {0304-3894}, doi = {10.1016/j.jhazmat.2024.136125}, author = {Mahale, Mithil and Samson, Rachel and Dharne, Mahesh and Kodam, Kisan} } @article {49111, title = {Hexagonal boron nitride quantum dots embedded on layer-by-layer films for peroxidase-assisted colorimetric detection of β-galactosidase producing pathogens}, journal = {ACS Applied Materials and Interfaces}, volume = {16}, year = {2024}, month = {MAY }, pages = {26870-26885}, type = {Article}, abstract = {

Pathogen detection has become a major research area all over the world for water quality surveillance and microbial risk assessment. Therefore, designing simple and sensitive detection kits plays a key role in envisaging and evaluating the risk of disease outbreaks and providing quality healthcare settings. Herein, we have designed a facile and low-cost colorimetric sensing strategy for the selective and sensitive determination of beta-galactosidase producing pathogens. The hexagonal boron nitride quantum dots (h-BN QDs) were established as a nanozyme that showed prominent peroxidase-like activity, which catalyzes 3,3 {\textquoteleft},5,5 {\textquoteleft}-tetramethylbenzidine (TMB) oxidation by H2O2. The h-BN QDs were embedded on a layer-by-layer assembled agarose biopolymer. The beta-galactosidase enzyme partially degrades beta-1,4 glycosidic bonds of agarose polymer, resulting in accessibility of h-BN QDs on the solid surface. This assay can be conveniently conducted and analyzed by monitoring the blue color formation due to TMB oxidation within 30 min. The nanocomposite was stable for more than 90 days and was showing TMB oxidation after incubating it with Escherichia coli (E. coli). The limit of detection was calculated to be 1.8 x 10(6) and 1.5 x 10(6) CFU/mL for E. coli and Klebsiella pneumonia (K. pneumonia), respectively. Furthermore, this novel sensing approach is an attractive platform that was successfully applied to detect E. coli in spiked water samples and other food products with good accuracy, indicating its practical applicability for the detection of pathogens in real samples.

}, keywords = {biopolymer, colorimetric, h-BN quantum dots, nanozyme, pathogens, Sensor}, issn = {1944-8244}, doi = {10.1021/acsami.4c01565}, author = {Majumdar, Sristi and Gogoi, Devipriya and Boruah, Purna K. and Thakur, Ashutosh and Sarmah, Priyakhee and Gogoi, Parishmita and Sarkar, Sanjib and Pachani, Priyakshi and Manna, Prasenjit and Saikia, Ratul and Chaturvedi, Vikash and Shelke, Manjusha V. and Das, Manash R.} } @article {49309, title = {Highly selective C-N and C-S dual functionalization of 1,3-dicarbonyl derivatives using TBHP as an oxidant}, journal = {Journal of Organic Chemistry}, volume = {89}, year = {2024}, month = {JUN}, pages = {9371-9380}, type = {Article}, abstract = {

A direct electrosynthesis/photocatalyst-free, atom-economical, and efficient method for the selective synthesis of (E)-3-amino-2-thiocyanato-alpha,beta-unsaturated carbonyl compounds is described through a given protocol. The present approach features the use of inexpensive ammonium thiocyanate to achieve dual functionalization of 1,3-dicarbonyl compounds using TBHP as an oxidant, providing a rapid and practical route to the selective formation of both C-N and C-S bonds via a radical process. This method offers a broad substrate scope with excellent yield and allows for further exploration of the products to construct heterocyclic compounds and other functionalities.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.4c00612}, author = {Bagad, Pooja K. and Darole, Ratanamala S. and Krishna, G. Rama and Senthilkumar, Beeran} } @article {49639, title = {High-performance photodetector from p-n junction of vertically aligned SnS2 and reduced graphene oxide}, journal = {ACS Applied Electronic Materials}, volume = {6}, year = {2024}, month = {SEP}, pages = {6965-6973}, type = {Article}, abstract = {

Semiconducting 2D transition metal dichalcogenides (TMDC) became very popular in photodetection due to their high mobility and high rate of generating electron and hole pairs. Over the past decade, MoS2 and WS2 became the most popular TMDC for several applications. On the other hand, due to the complex synthesis process compared to MoS2 and WS2, SnS2 became a less popular 2D material for photodetection. We synthesized vertically aligned SnS2 flakes by a chemical vapor deposition (CVD) process with three temperature zones with controlled argon (Ar) gas flow. Pristine SnS2-based devices are not very suitable for photodetection applications because of their low photo-to-dark current ratio (I ph /I (dark) ), high response time, and low stability. So, they need to be decorated with oppositely doped materials. We decorated pristine SnS2-based devices with rGO nanoparticles, which significantly increased the device{\textquoteright}s performance. We found a high responsivity (R) of 1.33 A/W, detectivity (D) of 6.95 x 10(11) Jones, I ph /I dark of 102, and a rise time of 0.241 ms (fall time of 1.318 ms) with the rGO decorated SnS2-based device.

}, keywords = {2D-SnS2, CVD, p-njunction, photodetector, rGO}, doi = {10.1021/acsaelm.4c01311}, author = {Das, Chayan and Kumar, Suresh and Dambhare, Neha V. and Kumar, Mahesh and Rath, Arup K. and Sahu, Satyajit} } @article {49305, title = {High-voltage symmetric supercapacitor electrodes via in situ synthesized multiwalled carbon nanotube-doped perylenebisimide-based donor-acceptor conjugate polymer P(PDI2OD-T2)}, journal = {Journal of Physical Chemistry C}, volume = {128}, year = {2024}, month = {JUL}, pages = {12808-12821}, type = {Article}, abstract = {

This study presents the design and synthesis of a donor-acceptor pi-conjugated polymer composite P(PDI2OD-T2)/MWCNT tailored for high-voltage symmetric supercapacitor applications. The synthesis of P(PDI2OD-T2)/MWCNT was expedited by adopting a novel in situ polymerization technique that modifies the traditional Stille polymerization process. Incorporating approximately 33\% by weight of multiwalled carbon nanotubes (MWCNT) into the polymer matrix, referred to as P-2, significantly enhances its conductivity, surface area, and porosity. These improvements in the material properties contribute to the superior electrochemical performance of the composites by promoting efficient electrolyte ion transport across the electrode-electrolyte interfaces. The symmetric supercapacitor devices fabricated with P-2 electrodes employing both liquid organic (LE-P-2||P-2) and quasi-solid-state gel (QSS- P-2||P-2) electrolytes demonstrate capacitance values of 85.4 and 84.2 F g(-1), respectively, at a current density of 0.25 A g(-1), while operating at a high-voltage window of 3.1 V. Moreover, these devices exhibit robust cycling stability, maintaining approximately 70\% of their initial capacitance over 45,000 cycles with a coulombic efficiency of 96\%. The successful demonstration of a quasi-solid-state symmetric supercapacitor underscores the potential of flexible energy storage solutions, as evidenced by a PMMA LiClO4 gel electrolyte prototype. This flexible device not only maintains structural integrity but also achieves an impressive power density of 18,600 W kg(-1) and an energy density of 112.4 Wh kg(-1), indicating its practical viability for real-world applications.

}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.4c02345}, author = {Wavhal, Aryan Anurath and Dilwale, Swati and Puthiyaveetil, Priyanka Pandinhare and Kakde, Navnath R. and Prakash, Medha and Kurungot, Sreekumar and Asha, S. K.} } @article {49048, title = {I2-catalyzed three-component synthesis of 3-selenylated pyrazolo[1,5-a]pyrimidines}, journal = {New Journal of Chemistry}, volume = {48}, year = {2024}, month = {MAY }, pages = {9480-9485}, type = {Article}, abstract = {

A straightforward protocol has been developed to access 3-selenylated pyrazolo[1,5-a]pyrimidines from readily available amino pyrazoles, chalcones, and diaryl/dialkyl diselenides. This I-2-catalyzed methodology is highly useful for synthesizing a wide range of functionalized 3-(aryl/alkylselanyl)pyrazolo[1,5-a]pyrimidine derivatives. Mechanistic investigation disclosed that iodine catalysis is very important in both the cyclization process as well as in the C-H selenylation step. Moreover, the developed reaction conditions are also applicable for the cyclization of amino pyrazole with enaminone followed by C-H selenylation in one pot. The use of simple reagents and catalyst, wide substrate scope, mild and metal-free reaction conditions, and practical applicability are the attractive facets of this approach.

}, issn = {1144-0546}, doi = {10.1039/d3nj05847f}, author = {Choudhuri, Tathagata and Paul, Suvam and Sikdar, Papiya and Das, Sourav and Sawant, Sanghapal D. and Bagdi, Avik Kumar} } @article {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 {49264, title = {Influence of deposition potential on electrodeposited bismuth-copper oxide electrodes for asymmetric supercapacitor}, journal = {BATTERIES \& SUPERCAPS}, volume = {7}, year = {2024}, month = {JUN}, type = {Journal Article}, keywords = {Bi2CuO4, Deposition Potential, Electrodeposition, supercapacitor, thin film}, doi = {10.1002/batt.202400163}, author = {Bobade, Rushikesh G. and Dabke, Niteen B. and Shaikh, Shoyebmohamad F. and Al-Enizi, Abdullah M. and Pandit, Bidhan and Lokhande, Balkrishna J. and Ambare, Revanappa C.} } @article {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 {49273, title = {Interlayer space engineering-induced pseudocapacitive zinc-ion storage in holey graphene oxide-bearing vertically oriented MoS2 nano-wall array cathode for aqueous rechargeable Zn metal batteries}, journal = {Small}, volume = {20}, year = {2024}, month = {DEC}, type = {Article}, abstract = {

Transition metal dichalcogenides, particularly MoS2, are acknowledged as a promising cathode material for aqueous rechargeable zinc metal batteries (ARZMBs). Nevertheless, its lack of hydrophilicity, poor electrical conductivity, significant restacking, and restricted interlayer spacing translate into inadequate capacity and rate performance. Herein, the unique porous structure and additional functional groups present in holey graphene oxide (hGO) are taken advantage of to dictate the vertical growth pattern of oxygen-doped MoS2 nanowalls (O-MoS2/NW) over the hGO surface. Compared to conventional graphene oxide (GO), the presence of nano-pores in hGO facilitates the homogeneous dispersion of Mo precursors and provides stronger interaction sites, promoting the uniform vertical alignment of O-MoS2/NW. The synergistic interaction between O-MoS2-NW and hGO translates to enhanced electron conductivity, efficient electrolyte penetration, enhanced interlayer spacing, reduced restacking, and enhanced surface area. As a consequence of precise control of various factors that decide the overall battery performance, a high discharge capacity (227 mAh g(-1) at 100 mA g(-1)) cathode material with significantly lower charge transfer resistance (66 Omega) compared to pristine O-MoS2 (153 Omega) is developed. These findings underscore the potential of hGO as a multifunctional platform for nanoengineering high-performance cathode materials for the next generation of efficient and durable ARZMBs.

}, keywords = {aqueous rechargeable zinc metal battery, holey graphene oxide, hydrophilicity tuning, interlayer space engineering, oxygen-doped MoS2, transition metal dichalcogenide, vertical nanowall}, issn = {1613-6810}, doi = {10.1002/smll.202406926}, author = {Babu, Athira and Dilwale, Swati and Kurungot, Sreekumar} } @article {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 {49368, title = {Ionic liquid assisted green synthesis of quinoxaline based bisspirooxindoles: anticancer evaluation and molecular dynamics}, journal = {CHEMISTRYSELECT}, volume = {9}, year = {2024}, month = {NOV}, pages = {e202403608}, type = {Journal Article}, keywords = {Cycloaddition, spirooxindoles}, issn = {2365-6549}, doi = {10.1002/slct.202403608}, author = {Kanchrana, Madhu and Krishna, Gamidi Rama and Dey, Biswajit and Pandey, Nandita and Guru, Santosh Kumar and Sangolkar, Akanksha Ashok and Pawar, Ravinder and Basavoju, Srinivas} } @article {49255, title = {Kinetic H2S/CO2 selectivity in an exceptionally sterically hindered amine membrane}, journal = {JOURNAL OF MATERIALS CHEMISTRY A}, volume = {12}, year = {2024}, month = {OCT }, pages = {29138-29144}, type = {Journal Article}, keywords = {Absorption, COMPOSITE MEMBRANES, GAS STREAMS, H2S, Thin-Film}, issn = {2050-7488}, doi = {10.1039/d4ta04997g}, author = {Rao, Shraavya and Deng, Xuepeng and Zou, Changlong and Prasad, Babul and Han, Yang and Lin, Li-Chiang and Ho, W. S. Winston} } @article {49463, title = {Lead-free Cs2AgBiCl6 double perovskite: experimental and theoretical insights into the self-trapping for optoelectronic applications}, journal = {ACS Physical Chemistry Au}, volume = {4}, year = {2024}, month = {JUL}, pages = {476{\textendash}489}, type = {Article}, abstract = {

Lead-free double perovskites (DPs) will emerge as viable and environmentally safe substitutes for Pb-halide perovskites, demonstrating stability and nontoxicity if their optoelectronic property is greatly improved. Doping has been experimentally validated as a powerful tool for enhancing optoelectronic properties and concurrently reducing the defect state density in DP materials. Fundamental understanding of the optical properties of DPs, particularly the self-trapped exciton (STEs) dynamics, plays a critical role in a range of optoelectronic applications. Our study investigates how Fe doping influences the structural and optical properties of Cs2AgBiCl6\ DPs by understanding their STEs dynamics, which is currently lacking in the literature. A combined experimental{\textendash}computational approach is employed to investigate the optoelectronic properties of pure and doped Cs2AgBiCl6\ (Fe{\textendash}Cs2AgBiCl6) perovskites. Successful incorporation of Fe3+\ ions is confirmed by X-ray diffraction and Raman spectroscopy. Moreover, the Fe{\textendash}Cs2AgBiCl6\ DPs exhibit strong absorption from below 400 nm up to 700 nm, indicating sub-band gap state transitions originating from surface defects. Photoluminescence (PL) analysis demonstrates a significant enhancement in the PL intensity, attributed to an increased radiative recombination rate and higher STE density. The radiative kinetics and average lifetime are investigated by the time-resolved PL (TRPL) method; in addition, temperature-dependent PL measurements provide valuable insights into activation energy and exciton{\textendash}phonon coupling strength. Our findings will not only deepen our understanding of charge carrier dynamics associated with STEs but also pave the way for the design of some promising perovskite materials for use in optoelectronics and photocatalysis.

}, doi = {https://doi.org/10.1021/acsphyschemau.4c00008}, author = {Rahane, Swati N. and Rahane, Ganesh K. and Mandal, Animesh and Jadhav, Yogesh and Godha, Akshat and Rokade, Avinash and Shah, Shruti and Hase, Yogesh and Waghmare, Ashish and Saykar, Nilesh G. and Roy, Anurag and Salgaonkar, Kranti N. and Dubal, Deepak and Makineni, Surendra K. and Dzade, Nelson Y. and Jadkar, Sandesh R. and Rondiya, Sachin R.} } @article {49405, title = {Lead-free low-dimensional tetraalkylammonium manganese- and copper-based hybrid organic{\textendash}inorganic perovskites for visual fluorometric Pb2+ ion detection}, journal = {ACS Applied Optical Materials}, volume = {2}, year = {2024}, month = {JUL}, pages = {1533{\textendash}1545}, type = {Article}, abstract = {

For the first time, we have synthesized lead (Pb)-free manganese (Mn)- and copper (Cu)-based hybrid organic{\textendash}inorganic perovskite (HOIP) compounds, compound\ 1, (TEA)2MnBr4, compound\ 2, (TBA)2MnBr4, compound\ 3, (TEA)2CuBr4, and compound\ 4, (TBA)CuBr2\ (where TEA is tetraethylammonium and TBA is tetrabutylammonium), under ambient conditions via mechanochemical synthesis methodology using a Kakuhunter-made planetary mixer. The compounds are characterized as 2D except for (TBA)CuBr2, which has crystallized in the 0D lattice. The synthesized compounds are phase pure and show a stable solid-state emission at room temperature. The Mn-based perovskite compound\ 1\ showed excellent environmental photostability for over a month and reasonable stability under a relative humidity of 70{\textendash}80\%. The nanoparticle (NP) dispersions of compounds\ 1\ and\ 2\ were used further for fluorescence titration studies using various heavy metal cations, including transition metals and lanthanides (e.g., Y3+, Nb3+, Co2+, Ni2+, Ag+, Zn2+, Cd2+, Pb2+, Gd3+, and Dy3+), where they showed good fluorescence switching by the Pb2+\ ion. Compound\ 1\ demonstrated excellent fluorescence switching performance with Pb2+\ titration with a Pb2+\ detection limit of 2.43 {\texttimes} 10{\textendash}8\ M and hence can be used to fabricate a Pb2+\ calorimetric sensor. A preliminary visual thin film-based sensor using NPs of compound\ 1\ was fabricated to test the change in emission from blue to green in correlation with the results obtained in the NP solution during Pb2+\ ion sensing. A fascinating in situ ion-exchange-based mechanism for the sensitivity of NPs of compound\ 1\ is confirmed. This study reveals the ability of Pb-free Mn-based HOIPs to detect an oxidizing metal cation, Pb2+, efficiently and quantitatively.

}, doi = {10.1021/acsaom.4c00182}, url = {https://pubs.acs.org/doi/10.1021/acsaom.4c00182}, author = {Kour, Prachi and Sahu, Pragati and Dambhare, Neha V. and Rath, Arup Kumar and Mukherjee, Shatabdi Porel} } @article {49261, title = {Ligand isomerization driven electrocatalytic switching}, journal = {ANGEWANDTE CHEMIE-INTERNATIONAL EDITION}, volume = {63}, year = {2024}, month = {JUL}, type = {Journal Article}, keywords = {Catalysts, CO2 reduction, O-2 REDUCTION, oxygen reduction}, issn = {1433-7851}, doi = {10.1002/anie.202405664}, author = {Kottaichamy, Alagar Raja and Nazrulla, Mohammed Azeezulla and Parmar, Muskan and Thimmappa, Ravikumar and Devendrachari, Mruthyunjayachari Chattanahalli and Vinod, Chathakudath Prabhakaran and Volokh, Michael and Kotresh, Harish Makri Nimbegondi and Shalom, Menny and Thotiyl, Musthafa Ottakam} } @article {49640, title = {Lignocellulosic biomass analysis: acidic lignin recovery, characterisation, and depolymerisation}, journal = {Biomass Conversion and Biorefinery}, volume = {14}, year = {2024}, month = {FEB}, pages = {5239-5249}, type = {Article}, abstract = {

For the development of an effective lignocellulosic biomass conversion technology to biofuels and chemicals, the biomass composition analysis and their properties need to be characterised prior to biomass valorisation, including polysaccharide hydrolysis and lignin depolymerisation. In this work, a facile colorimetric titration method for the quantification of alpha-, beta-, and gamma-cellulose, pentosan, lignin, and silica percentages of wheat straw (WS) and two bagasse (BG I and II) samples was done. The result showed higher amounts of structural biopolymers (i.e. holocellulose and lignin (similar to 89.3\%)) in BG compared to WS (81\%) sample. Lignin recovery from BG (I and II) and WS samples was done by applying two-stage concentrated and dilute sulphuric acid hydrolysis, and maximum recovery (i.e. 21.5\%; acid soluble +insoluble) of lignin obtained from BG II sample. Elemental and composition analysis results were represented substantial differences in lignin properties, including higher heat values (19.8 MJkg(-1)) of recovered lignin from BG II as well as high amounts of silica percentage from WS lignin. An intense Si-O-Si asymmetric stretching mode and/or C-O-C aliphatic aromatic ether (similar to 1100 cm(-1)) was characterised for lignin derived from WS. C-13 CP-MAS NMR exhibited variable intensities for dibenzodioxocin, spirodienone, and tricin moieties in recovered lignin samples. These lignin samples were processed for depolymerisation using homogeneous (1-methyl-3-(3-sulphopropyl)-imidazolium hydrogen sulphate) and heterogeneous (immobilised Bronsted acidic ionic liquid) catalysts to lower molar mass aromatic fractions and represented 89\% and 92\% organic solvent-soluble product yields respectively from WS-derived lignin.

}, keywords = {bagasse, Dibenzodioxocin, Holocellulose, Lignin depolymerisation, Spirodienone, Tricin, Wheat straw}, issn = {2190-6815}, doi = {10.1007/s13399-022-02705-9}, author = {Singh, Sandip K. and Matsagar, Babasaheb M. and Dhepe, Paresh L.} } @article {49200, title = {Macrocyclic peptides derived from AcPHF6*and AcPHF6 to selectively modulate the Tau aggregation}, journal = {Bioorganic Chemistry}, volume = {151}, year = {2024}, month = {OCT}, pages = {107625}, type = {Article}, abstract = {

Ten macrocyclic peptides, each comprising 14 amino acids, were designed and synthesized based on the Tau aggregation model hexapeptides AcPHF6* and AcPHF6. The design took into account the aggregation tendencies of each residue in AcPHF6* and AcPHF6, their aggregation models, while employing peptide-based structural design principles including N-methylation to promote turns and to block hydrogen bond propagation and elongation of the aggregation chain. NMR analysis supported that all these peptides adopted an antiparallel beta-sheet conformation. Self-aggregation studies characterized the aggregation properties of these peptides, identifying two peptides with the highest (P3) and lowest (P8) aggregation tendencies. In cross-aggregation studies with the parent peptides AcPHF6* and AcPHF6, P3 and P8 were found to promote and reduce aggregation, respectively. Furthermore, P3 and P8 demonstrated an enhancement and diminution effect on the aggregation of K18wt, indicating their capacity to modulate aggregation even at the macromolecular level. Thus, the two simple peptides, P3 and P8 selectively exhibit pro- or anti-aggregation effects on PHF peptides and Tau. This study, has thus developed structurally well-defined non-complex peptides, derived from AcPHF6* and AcPHF6, to modulate Tau aggregation as desired, offering applications in Tau model studies and the development of Tau aggregation inhibitors or promoters.

}, keywords = {Cyclic peptides, Peptide -based drug design (PBDD), Peptide conformation, PHF peptides, Tau Aggregation}, issn = {0045-2068}, doi = {10.1016/j.bioorg.2024.107625}, author = {Dangi, Abha and Qureshi, Tazeen and Chinnathambi, Subashchandrabose and Marelli, Udaya Kiran} } @article {49336, title = {Magnetic chemiresistive Fe-doped In2O3 nanocubes to Tunably detect NO2 at ppm to ppb concentrations}, journal = {ACS APPLIED NANO MATERIALS}, volume = {7}, year = {2024}, month = {JUN }, pages = {14331-14343}, type = {Journal Article}, keywords = {GAS-SENSING PROPERTIES, METAL-OXIDE NANOSTRUCTURES}, doi = {10.1021/acsanm.4c01795}, author = {Rudra, Pratyasha and Dambhare, Neha V. and Srihari, Velaga and Das, Sagnik and Rath, Arup Kumar and Saha, Debdulal and Mondal, Swastik} } @article {49105, title = {Microbial production of N-acetyl-D-glucosamine (GlcNAc) for versatile applications: biotechnological strategies for green process development}, journal = {Carbohydrate Research }, volume = {536}, year = {2024}, month = {FEB}, pages = {109039}, type = {Article}, abstract = {

N-acetyl-D-glucosamine (GlcNAc) is a commercially important amino sugar for its wide range of applications in pharmaceutical, food, cosmetics and biofuel industries. In nature, GlcNAc is polymerised into chitin biopolymer, which is one of the major constituents of fungal cell wall and outer shells of crustaceans. Sea food processing industries generate a large volume of chitin as biopolymeric waste. Because of its high abundance, chitinaceous shellfish wastes have been exploited as one of the major precursor substrates of GlcNAc production, both in chemical and enzymatic means. Nevertheless, the current process of GlcNAc extraction from shellfish wastes generates poor turnover and attracts environmental hazards. Moreover, GlcNAc isolated from shellfish could not be prescribed to certain groups of people because of the allergic nature of shell components. Therefore, an alternative route of GlcNAc production is advocated. With the advancement of metabolic construction and synthetic biology, microbial synthesis of GlcNAc is gaining much attention nowadays. Several new and cuttingedge technologies like substrate co-utilization strategy, promoter engineering, and CRISPR interference system were proposed in this fascinating area. The study would put forward the potential application of microbial engineering in the production of important pharmaceuticals. Very recently, autotrophic fermentation of GlcNAc synthesis has been proposed. The metabolic engineering approaches would offer great promise to mitigate the issues of low yield and high production cost, which are major challenges in microbial bio-processes industries. Further process optimization, optimising metabolic flux, and efficient recovery of GlcNAc from culture broth, should be investigated in order to achieve a high product titer. The current study presents a comprehensive review on microbe-based eco-friendly green methods that would pave the way towards the development of future research directions in this field for the designing of a cost-effective fermentation process on an industrial setup.

}, keywords = {Genetic engineering, GlcNAc applications, Market status, Microbial bioprocess, N-acetyl-D-glucosamine, synthetic biology}, issn = {0008-6215}, doi = {10.1016/j.carres.2024.109039}, author = {Das, Sancharini and Chowdhury, Chiranjit and Kumar, S. Pavan and Roy, Debasis and Gosavi, Suresh W. and Sen, Ramkrishna} } @article {49003, title = {Morphology tuning via linker modulation: metal-free covalent organic nanostructures with exceptional chemical stability for electrocatalytic water splitting}, journal = {Advanced Materials }, volume = {36}, year = {2024}, month = {MAR}, type = {Article}, abstract = {

The development of synthetic routes for the formation of robust porous organic polymers (POPs) with well-defined nanoscale morphology is fundamentally significant for their practical applications. The thermodynamic characteristics that arise from reversible covalent bonding impart intrinsic chemical instability in the polymers, thereby impeding their overall potential. Herein, a unique strategy is reported to overcome the stability issue by designing robust imidazole-linked POPs via tandem reversible/irreversible bond formation. Incorporating inherent rigidity into the secondary building units leads to robust microporous polymeric nanostructures with hollow-spherical morphologies. An in-depth analysis by extensive solid-state NMR (1D and 2D) study on H-1, C-13, and N-14 nuclei elucidates the bonding and reveals the high purity of the newly designed imidazole-based POPs. The nitrogen-rich polymeric nanostructures are further used as metal-free electrocatalysts for water splitting. In particular, the rigid POPs show excellent catalytic activity toward the oxygen evolution reaction (OER) with long-term durability. Among them, the most efficient OER electrocatalyst (TAT-TFBE) requires 314 mV of overpotential to drive 10 mA cm(-2) current density, demonstrating its superiority over state-of-the-art catalysts (RuO2 and IrO2).

}, keywords = {bi-functional electrocatalysts, chemically robust, hollow-spherical morphologies, imidazole-linked, inherent rigidity, metal-free, water splitting}, issn = {0935-9648}, doi = {10.1002/adma.202209919}, author = {Karak, Shayan and Koner, Kalipada and Karmakar, Arun and Mohata, Shibani and Nishiyama, Yusuke and Duong, Nghia Tuan and Thomas, Neethu and Ajithkumar, Thalasseril Govindankuttykaimal and Hossain, Munshi Sahid and Bandyopadhyay, Subhajit and Kundu, Subrata and Banerjee, Rahul} } @article {49458, title = {Multifunctional metabolites of Streptomyces kunmingensis BS19 from bamboo rhizosphere soil}, journal = {International Microbiology}, year = {2024}, month = {NOV}, type = {Article}, abstract = {

A pigmented bioactive molecule from\ Streptomyces kunmingensis\ BS19 was isolated, characterized, and evaluated for anti-infective, antiproliferative, and wound-healing properties. The yellow{\textendash}red pigment produced from the strain BS19 showed promising activity against methicillin-resistant\ Staphylococcus aureus\ (MRSA) and\ Mycobacterium tuberculosis. Extracellular bioactive pigment from the strain BS19 was produced by agar surface fermentation and purified through bioassay guided preparative HPLC-based purification. Based on the results of UV, FT-IR, GC{\textendash}MS,\ 1H NMR, and\ 13C NMR spectral analyses, the purified pigment was identified as a chromopeptide class of molecule with phenoxazinone chromophore. Its molecular weight was determined as the chemical formula C64H90N12O16\ and molecular weight 1283\ g/mol. It exhibited promising antimicrobial activity against\ Staphylococcus aureus\ (ATCC 1720) and antiproliferative activity against 14 types of human cancer cell lines. It showed good in vivo wound-healing activity in the rat model. The present study explored\ Streptomyces kunmingensis\ as a newly added source for the isolation of chromopeptide antibiotics for antimicrobial, wound-healing, and anticancer applications.

}, doi = {10.1007/s10123-024-00619-2}, author = {Sangeetha, Murthy and Sasirekha, Sivakumar and Mahendran, Jaganathan and Sivarajan, Anbalmani and Radhakrishnan, Manikkam and Manigundan, Kaari and Dastager, Syed G. and Sengottuvelu, Singaravel and Balagurunathan, Ramasamy} } @article {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 {49091, title = {New record of larval-pupal endoparasitoid Exorista deligata parasitising Indian Tea looper Hyposidra talaca from India}, journal = {Phytoparasitica}, volume = {52}, year = {2024}, month = {MAR}, pages = {23}, type = {Article}, abstract = {

This is the first record of Exorista deligata (Pandell \& eacute;, 1896) (Diptera: Tachinidae) as a parasitoid of Hyposidra talaca (Walker, 1860) (Lepidoptera: Geometridae) from India. H. talaca is a major and new emerging defoliator of the Tea plant Camellia sinensis (L) Kuntze (Theaceae). It completes multiple generations per year without diapause on C. sinensis, resulting in heavy crop loss. The field-collected larvae/pupa of H. talaca were checked for parasitoid infestations and reared until either the host or parasitoid emerged. The parasitoid was identified as E. deligata with morphological characteristics and confirmed by the mitochondrial cytochrome oxidase subunit-I (COX-CO1) gene sequencing technique. The parasitoid is infrequent with unexplored parasitic biology. It parasitises the larva and completes its lifecycle inside the developing H. talaca by entirely devouring the host. The mean percent parasitisation caused by E. deligata studied herein was 25.4\% (range 5.88\%-57.69\%). Based on its parasitisation ability, we suggest the species could be a potential biological control agent to address the damage mitigation caused by the tea looper pest, H. talaca.

}, keywords = {Biocontrol, Exorista deligata, Hyposidra talaca, Invasive pest, Parasitisation}, issn = {0334-2123}, doi = {10.1007/s12600-024-01121-1}, author = {Sharma, Pooja V. and Das, Tamal and Mukherjee, Susmita and Pathan, Ejaj K. and Rahman, Azizur and Gathalkar, Ganesh B.} } @article {49009, title = {Nickel-catalyzed tandem conversion of paraformaldehyde : methanol to hydrogen and formate/chemo- and stereoselective hydrogenation of alkynes under neutral conditions}, journal = {Catalysis Science and Technology }, volume = {14}, year = {2024}, month = {MAY}, pages = {2779-2793}, type = {Article}, abstract = {

The development of new catalytic protocols for clean and COx-free hydrogen generation from fundamental feedstocks is always interesting and challenging. Herein, we disclose nickel-catalyzed dihydrogen generation from a mixture of paraformaldehyde-methanol under base-free and activator-free conditions. The dihydrogen generation from this redox combination under neutral, oxidative coupling conditions has been integrated with the hydrogen transfer reactions such as chemo- and stereoselective hydrogenation of alkynes in a tandem manner. This unprecedented strategy provides diverse highly stereoselective olefins with excellent tolerance of reducible functional groups such as ether, silyl ether, aldehyde, keto, ester, nitrile, halides including bromo and iodo groups, and heteroarenes. Additionally, we demonstrated catalytic stereo-interconversion of alkenes under benign conditions. The affordable gram-scale synthesis of some important pharmaceutical bioactive molecules has further enhanced their synthetic value. A tandem dihydrogen generation from a mixture of paraformaldehyde-methanol under base-free conditions followed by semihydrogenation of alkynes is reported.

}, issn = {2044-4753}, doi = {10.1039/d3cy01699d}, author = {Subaramanian, Murugan and Padhy, Subarna Sukanya and Gouda, Chandrakanth and Das, Tamal and Vanka, Kumar and Balaraman, Ekambaram} } @article {49260, title = {Novel GO hoisted SnO2-BiOBr bifunctional catalyst for the remediation of organic dyes under illumination by visible light and electrocatalytic water splitting}, journal = {NANOSCALE}, volume = {16}, year = {2024}, month = {JUL }, pages = {12445-12458}, type = {Journal Article}, keywords = {Chemistry, Multidisciplinary, Nanoscience \& Nanotechnology}, issn = {2040-3364}, doi = {10.1039/d4nr01154f}, author = {Dhillon, Manshu and Naskar, Abhishek and Kaushal, Neha and Bhansali, Shekhar and Saha, Avishek and Basu, Aviru Kumar} } @article {48932, title = {Novel molecular adducts of an anti-cancer drug vandetanib with enhanced solubility}, journal = {Crystengcomm}, volume = {26}, year = {2024}, month = {JAN }, pages = {248-260}, type = {Journal Article}, abstract = {

The solubility, permeability, and dissolution rate of an active pharmaceutical ingredient (API) are critical factors in determining its pharmacokinetic performance in oral dosage forms. Modifying these properties can potentially enhance the drug{\textquoteright}s pharmacokinetics. Vandetanib (VDTB), classified as a class II anti-cancer drug in the biopharmaceutical classification system (BCS), suffers from low solubility (0.008 mg mL-1) and an extended pharmacokinetic half-life (19 days), necessitating the administration of high doses, which leads to undesirable side effects. To address this issue, we have employed a crystal engineering approach to enhance the solubility of VDTB. We employed the liquid-assisted grinding (LAG) method followed by the slow evaporation technique to prepare novel solid forms of VDTB by incorporating various aliphatic dicarboxylic acids, including succinic acid (SUA), adipic acid (ADA), pimelic acid (PIA), azelaic acid (AZA), and sebacic acid (SBA). These newly obtained solid forms were characterized by SC-XRD, PXRD, TGA, and DSC experiments. The crystal structure analyses revealed a proton transfer between the carboxylic acid group of aliphatic acids and the N-methyl piperidine moiety of VDTB, confirming salt/adduct formation. Additionally, all of the molecular salts were stabilized by charge-assisted N+-HMIDLINE HORIZONTAL ELLIPSISO- hydrogen bonds, while the parent VDTB crystal structure is stabilised by N-HMIDLINE HORIZONTAL ELLIPSISN interactions. Moreover, the solubility and dissolution rate of these new solid forms were assessed in a pH 7.4 phosphate buffer medium, with the results indicating that all of the solid forms, except for VDTB:SBA, exhibited higher solubility compared to pure VDTB. These findings offer promising prospects for the development of an improved VDTB formulation with enhanced pharmacokinetic properties. Successful attempt to improve the solubility and dissolution rate of Vandetanib - an anti-cancer drug, by crystal engineering approach.

}, keywords = {Amorfization, hydrate, Parameters, Salt, Thyroid-Cancer}, doi = {10.1039/d3ce01130e}, author = {Bandaru, Ravi Kumar and Giri, Lopamudra and Krishna, Gamidi Rama and Dandela, Rambabu} } @article {49097, title = {N-SO3H functionalised br{\o}nsted acidic ionic liquid catalysed sequential one-pot synthesis of 2-amino-3-cyanopyridines via claisen-schmidt condensation under solvent-free condition}, journal = {Chemistryselect}, volume = {9}, year = {2024}, month = {MAR }, type = {Article}, abstract = {

This work presents a simple approach for the synthesis of 2-amino-3-cyanopyridines via a one pot two-step sequential route catalysed by direct N{\textendash}SO3H functionalised Br \& oslash;nsted acidic ionic liquids (BAILs). Herein, catalytic activities of four BAILs namely ([TSPi][Cl](2), [DSIM][TFA], [EDSIM][TFA] and [DBDSA][TFA]) were explored and among them [TSPi][Cl](2) was found to be the most efficient reusable homogeneous catalyst. This process involves the ionic liquid catalysed in situ generation of chalcones from Claisen-Schmidt condensation between aromatic aldehydes and acetophenone/4-Cl acetophenone, followed by multicomponent reaction (MCR) with malononitrile and ammonium acetate using the same IL catalyst to selectively produce 2-amino-3-cyanopyridine derivatives in a solvent-free medium at 80 degrees C within 30-60 minutes in high yields (96-86 \%). This amalgamation of MCR with ionic liquids and solvent-free conditions makes the present work more compliant with the protocols of Green Chemistry.

}, keywords = {2-amino-3-cyanopyridines, Bronsted acidic ionic liquids, chalcones, Multicomponent reaction, One-pot approach}, issn = {2365-6549}, doi = {10.1002/slct.202304103}, author = {Das, Sukanya and Paul, Subham and Kashyap, Niharika and Saikia, Pinku and Borah, Ruli} } @article {49237, title = {N-terminal domain of polypyrimidine-tract binding protein is a dynamic folding platform for adaptive RNA recognition}, journal = {NUCLEIC ACIDS RESEARCH}, volume = {52}, year = {2024}, month = {AUG}, pages = {10683-10704}, type = {Journal Article}, keywords = {CHEMICAL-SHIFT ANISOTROPY, NMR, ROTATING-FRAME RELAXATION, TIME-SCALE DYNAMICS}, issn = {0305-1048}, doi = {10.1093/nar/gkae713}, author = {Damberger, Fred F. and Krepl, Miroslav and Arora, Rajika and Beusch, Irene and Maris, Christophe and Dorn, Georg and Sponer, Jiri and Ravindranathan, Sapna and Allain, Frederic H-T} } @article {49306, title = {Organocatalytic route to the enantioselective synthesis of syn/ anti-α-hydrazino-γ-fluoro alcohols}, journal = {Tetrahedron Letters}, volume = {145}, year = {2024}, month = {JUL}, pages = {155179}, type = {Article}, abstract = {

A general organocatalytic method has been developed for the asymmetric synthesis of alpha-hydrazino-gamma-fluoro alcohols, a precursor to syn/anti-1,3-fluoro amines. The strategy employs alpha-fluorination catalyzed by prolinederived catalyst, (S)-alpha,alpha-bis[3,5-bis(trifluoromethyl)phenyl]-2-pyrrolidinemetha nol trimethylsilyl ether followed by Horner-Wadsworth-Emmons (HWE) olefination of aldehydes, and proline-catalyzed alpha-amination as the key steps. The title compounds showed excellent diastereoselectivity (up to 99:1) and enantioselectivity (up to 99 \%).

}, keywords = {alpha-Amination, alpha-Fluorination, diastereoselectivity, Enantioselectivity, HWE olefination, organocatalyst}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2024.155179}, author = {Khonde, Nilesh S. and Said, Madhukar S. and Danve, Shivam S. and Kumar, Pradeep} } @article {49323, title = {Oxidative and selective C-C cleavage of glycerol to glycolaldehyde with atom-like Cu on Cu-TiO2: photocatalytic water reduction with concurrent glycerol oxidation in sunlight}, journal = {Journal of Catalysis}, volume = {437}, year = {2024}, month = {SEP}, pages = {115644}, type = {Article}, abstract = {

Concurrent consumption of electrons and holes for the conversion of a biomass component to value added products represents a highly efficient and sustainable approach towards utilizing renewable energy, but difficult to achieve. The integration of hydrogen production with glycerol oxidation presents a novel and sustainable approach towards achieving a circular economy. In the current study, integration of atom-like Cu-clusters onto TiO2 substrate has been achieved using a facile photo-deposition technique (TC-PDO). Also, novel synthetic approaches have been employed to augment the surface coverage of Cu on TiO2 with atom-like clusters of Cu, either by borohydride treatment on TiO2 followed by Cu-deposition (TC-200) or oxygen-vacancy creation by UV illumination followed by Cu-deposition (TC-PDO). Increased dispersion and enhanced electronic integration of Cu with TiO2 lead to a corresponding increase in the efficiency of photocatalytic hydrogen evolution (13.8 mmol/h.g for TC-PDO at pH 9). Several atom-like Cu integrated with each TiO2 particle acts as photocatalytic reactor, and the same enhances electron-hole separation as well as activity. Sustainable aspect was also studied for TC-PDO up to 25 h at pH 9. Concurrently, glycerol oxidation displays the highest selectivity to C2 product (glycolaldehyde with 70 \%) with a C-C cleavage. The investigation of this process holds significant potential for the extensive and simultaneous exploitation of electrons and holes in order to achieve water splitting and glycerol oxidation towards selective value-added products formation.

}, keywords = {C -C Cleavage, Glycerol, nanotechnology, Photo -deposition, solar energy conversion}, issn = {0021-9517}, doi = {10.1016/j.jcat.2024.115644}, author = {Bajpai, Himanshu and Nivedhitha, Thazhath R. and Dais, Elsa and Kanungo, Subhashree S. and Gopinath, Chinnakonda S.} } @article {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 {49117, title = {Perturbation of fermi resonance on hydrogen-bonded \> C=O: 2D IR studies of small ester probes}, journal = {Journal of Physical Chemistry B}, volume = {128}, year = {2024}, month = {APR}, pages = {4440-4447}, type = {Article}, abstract = {

We utilized linear and 2D infrared spectroscopy to analyze the carbonyl stretching modes of small esters in different solvents. Particularly noteworthy were the distinct carbonyl spectral line shapes in aqueous solutions, prompting our investigation of the underlying factors responsible for these differences. Through our experimental and theoretical calculations, we identified the presence of the hydrogen-bond-induced Fermi resonance as the primary contributor to the varied line shapes of small esters in aqueous solutions. Furthermore, our findings revealed that the skeletal deformation mode plays a crucial role in the Fermi resonance for all small esters. Specifically, the first overtone band of the skeletal deformation mode intensifies when hydrogen bonds form with the carbonyl group of esters, whereas such coupling is rare in aprotic organic solvents. These spectral insights carry significant implications for the utilization of esters as infrared probes in both biological and chemical systems.

}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.3c06698}, author = {Sakpal, Sushil and Chakrabarty, Suranjana and Reddy, Kambham Devendra and Deshmukh, Samadhan H. and Biswas, Rajib and Bagchi, Sayan and Ghosh, Anup} } @article {49262, title = {Phytic acid customized hydrogel polymer electrolyte and prussian blue analogue cathode material for rechargeable zinc metal hydrogel batteries}, journal = {Small}, volume = {20}, year = {2024}, month = {AUG}, type = {Article}, abstract = {

Zinc anode deterioration in aqueous electrolytes, and Zn dendrite growth is a major concern in the operation of aqueous rechargeable Zn metal batteries (AZMBs). To tackle this, the replacement of aqueous electrolytes with a zinc hydrogel polymer electrolyte (ZHPE) is presented in this study. This method involves structural modifications of the ZHPE by phytic acid through an ultraviolet (UV) light-induced photopolymerization process. The high membrane flexibility, high ionic conductivity (0.085 S cm-1), improved zinc corrosion overpotential, and enhanced electrochemical stability value of approximate to 2.3 V versus Zn|Zn2+ show the great potential of ZHPE as an ideal gel electrolyte for rechargeable zinc metal hydrogel batteries (ZMHBs). This is the first time that the dominating effect of chelation of phytic acid with M2+ center over H-bonding with water is described to tune the gel electrolyte properties for battery applications. The ZHPE shows ultra-high stability over 360 h with a capacity of 0.50 mAh cm-2 with dendrite-free plating/stripping in Zn||Zn symmetric cell. The fabrication of the ZMHB with a high-voltage zinc hexacyanoferrate (ZHF) cathode shows a high-average voltage of approximate to 1.6 V and a comparable capacity output of 63 mAh g-1 at 0.10 A g-1 of the current rate validating the potential application of ZHPE. A novel phytic acid (PA) modulated zinc hydrogel polymer electrolyte (ZHPE) as an efficient electrolyte and separator for rechargeable Zn-metal hydrogel batteries (ZMHB) is designed. The zincophilic, and hydrogen bonding characteristics of ZHPE help in regulating uniform dendrite-free Zn-deposition over the Zn anode surface. ZHPE in combination with the developed high-voltage zinc hexacyanoferrate (ZHF) cathode performs as an efficient ZMHB. image

}, keywords = {high voltage cathode, high-conducting gel polymer electrolyte, phytic acid, rechargeable Zn-metal hydrogel batteries, Zn hydrogel polymer electrolyte}, issn = {1613-6810}, doi = {10.1002/smll.202311923}, author = {Dilwale, Swati and Puthiyaveetil, Priyanka Pandinhare and Babu, Athira and Kurungot, Sreekumar} } @article {49344, title = {Probing surface interactions in CdSe quantum dots with thiocyanate ligands}, journal = {NANOSCALE}, volume = {16}, year = {2024}, month = {AUG }, pages = {14922-14931}, type = {Journal Article}, keywords = {COLLOIDAL NANOCRYSTALS, STRUCTURAL DYNAMICS, Thin-films}, issn = {2040-3364}, doi = {10.1039/d4nr01507j}, author = {Deshmukh, Samadhan H. and Yadav, Sushma and Chowdhury, Tubai and Pathania, Akhil and Sapra, Sameer and Bagchi, Sayan} } @article {49218, title = {Purification of waste-generated biogas mixtures using covalent organic framework{\textquoteright}s high CO2 Selectivity}, journal = {ACS APPLIED MATERIALS \& INTERFACES}, volume = {16}, year = {2024}, month = {APR}, pages = {22066-22078}, type = {Journal Article}, keywords = {CAPTURE, CARBON-DIOXIDE, Efficiency, Energy, Hydrogen, STORAGE}, issn = {1944-8244}, doi = {10.1021/acsami.4c03245}, author = {Paul, Ratul and Maibam, Ashakiran and Chatterjee, Rupak and Wang, Wenjing and Mukherjee, Triya and Das, Nitumani and Yellappa, Masapogu and Banerjee, Tanmay and Bhaumik, Asim and Venkata Mohan, S. and BabaRao, Ravichandar and Mondal, John} } @article {49329, title = {Rational design of zero-dimensional manganese(II) halide hybrids with suppressed melting temperatures}, journal = {JOURNAL OF PHYSICAL CHEMISTRY C}, volume = {128}, year = {2024}, month = {AUG }, pages = {14849-14859}, type = {Journal Article}, keywords = {ORGANIC-INORGANIC PEROVSKITES, TRANSITION}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.4c04444}, author = {Singh, Shivangi and Marayathungal, Jumana Hasin and Das, Deep Kumar and Khan, Akram Aadil and Bakthavatsalam, Rangarajan and Hathwar, Venkatesha R. and Kundu, Janardan} } @article {49429, title = {Rational monomer design for the synthesis of conjugated polymers by direct heteroarylation polymerization}, journal = {ACS Polymers Au}, volume = {4}, year = {2024}, month = {JUL}, pages = {449{\textendash}459}, type = {Article}, abstract = {

This study focuses on the design concepts that contribute to the C{\textendash}H activation in bithiophene-flanked monomers incorporating naphthalene diimide (NDI), perylene diimide (PDI), and fluorene (FLU) and their polymerization by direct heteroarylation. Density functional theory (DFT) calculations reveal distinct energy requirements for C{\textendash}H bond abstraction, which is dictated by the electron-withdrawing strength of the central aromatic core flanked by bithiophene. These provide insights into the reactivity of each monomer for C{\textendash}H bond activation. Proton NMR spectroscopic experimental results confirm the favorable energetic profiles predicted by DFT, with NDI- and PDI-flanked monomers exhibiting lower energy requirements than fluorene-flanked monomers. Successful polymer synthesis is demonstrated for NDI and PDI, while the fluorene-flanked monomer shows challenges due to its higher energy demands.

}, doi = {https://doi.org/10.1021/acspolymersau.4c00050}, author = {Kakde, Navnath R. and Sharma, Himanshu and Dalvi, Nitin V. and Vanka, Kumar and Asha, S. K} } @article {49650, title = {Reaction of 4 (Alkynyloxy)cyclohexa-2,5-dienones with Dimethyl Sulfoxide: a catalyst-free formation of 6/5/3-fused tricyclic enones}, journal = {Journal of Organic Chemistry}, volume = {90}, year = {2024}, month = {DEC}, pages = {653-657}, type = {article}, abstract = {

6/5/3-Fused tricyclic enones were obtained when 4-(alkynyloxy)cyclohexa-2,5-dienones were treated with DMSO at 150 {\textdegree}C. The reaction proceeded via a four-membered oxathietene intermediate. The protocol developed is atom economical, has a broad substrate scope, and is amenable to gram-scale synthesis. The products obtained are susceptible to further synthetic transformations.

}, doi = {https://doi.org/10.1021/acs.joc.4c02553}, author = {Rai, Archana and Das, Utpal} } @article {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 {48906, title = {Review on microbial 1, 3-propanediol production: Emerging strategies, key hurdles and attainable solutions to re-establish its commercial interest}, journal = {Industrial Crops and Products}, volume = {209}, year = {2024}, month = {MAR}, type = {Article}, abstract = {

1,3-propanediol (1,3-PDO) is a vital value-added bi-functional compound that has numerous uses in the industrial sector including the polymer, pharmaceutical, food, and cosmetics industries. 1,3-PDO biosynthesis from renewable resources through green methods has received considerable attention. However, technical difficulties such as low product titer, by-product accumulation, and incomplete substrate consumption impede its sustainable production at the industrial scale. Hence, understanding the overall 1,3-PDO process development with integrated knowledge of techno-economics would help to build more production facilities across the world. In this view, the biotechnological production of 1,3-PDO is systematically reviewed briefing the synthesis routes, microbial strains, metabolic pathways, and fermentation modes along with several purification strategies. The present review also summarizes key hurdles in 1,3-PDO production and discusses the attainable solutions to achieve higher product titer. Finally, the economic viability of 1,3-PDO biosynthesis is described based on the existing research.

}, keywords = {3-Propanediol, Fermentation processes, Glycerol, Purification strategies, Techno-economical assessment}, issn = {0926-6690}, doi = {10.1016/j.indcrop.2023.117961}, author = {Nimbalkar, Pranhita R. and Dharne, Mahesh S.} } @article {49080, title = {Role of nitrogen doping in modulating ruthenium nanocatalysts for enhanced electrochemical hydrogen evolution reaction in alkaline medium}, journal = {Chemistry of Materials }, volume = {36}, year = {2024}, month = {APR }, pages = {4262-4274}, type = {Article}, abstract = {

Nitrogen doping has become a fundamental approach to enhance the catalytic performance of carbon materials across various applications. The introduction of nitrogen creates defects and active sites, promoting the formation of small metal particles and strengthening the metal-support interaction within carbon materials. However, the challenge lies in developing sustainable and cost-effective methods for synthesizing nitrogen-doped carbon materials. In this study, we present a sustainable approach for the synthesis of ruthenium on nitrogen-doped carbon catalysts (Ru-CCP) using chitosan as a nitrogen and carbon source. Unlike traditional methods, our process avoids the use of additional nitrogen precursors and templates, streamlining the synthesis while using a renewable resource. The synthesized material exhibits an exceptional performance in the electrochemical hydrogen evolution reaction (HER) in alkaline conditions by achieving a current density of 25 mA cm(-2) at an impressively low overpotential of 46 mV, outperforming Pt/C under similar conditions. The detailed studies on structural and electronic properties of the materials using X-ray absorption spectroscopy (XAS), X-ray photoelectron spectroscopy (XPS), X-ray diffraction (XRD), and transmission electron microscopy (TEM) revealed that the remarkable catalytic activity is upheld by the unique interplay between Ru delta+ and surface nitrogen moieties, notably pyridinic and pyrrolic nitrogen. Here, we demonstrate the control of particle size and electronic environment around the metal atom via the interaction of nitrogen and unravel the role of nitrogen doping in tuning the catalytic performance. In addition, this work offers insights into efficient HER catalyst design and emphasizes the potential of biomass-derived materials like chitosan in advancing clean hydrogen production for renewable energy applications.

}, issn = {0897-4756}, doi = {10.1021/acs.chemmater.3c03169}, author = {Korampattu, Lavanya and Barik, Sidharth and Pandikassala, Ajmal and Urkude, Rajashri R. and Kurungot, Sreekumar and Dhepe, Paresh L.} } @article {49253, title = {Rongalite as a C1 source: sulfonylmethylation of indoles with aryl/alkyl hydrazides and sulfinates}, journal = {Journal of Organic Chemistry}, volume = {89}, year = {2024}, month = {JUL}, pages = {11347-11352}, type = {Article}, abstract = {

Herein, we present a sulfonylmethylation of indoles with aryl/alkyl hydrazides and sulfinates that provides viable access to sulfone compounds using rongalite as a C1 source. This protocol features readily available chemicals and simple operations, and the products were obtained in moderate to good yields.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.4c01012}, author = {Kale, Someshwar B. and Patil, Tejaswini A. and Das, Utpal} } @article {49645, title = {Ru/MgO-catalysed selective aerobic oxidation of 5-hydroxymethylfurfural to 2,5-furandicarboxylic acid}, journal = {Australian Journal of Chemistry - an International Journal for Chemical Science}, volume = {77}, year = {2024}, month = {SEP}, type = {Article}, abstract = {

Biomass valorisation through the selective oxidation of carbohydrate and lipid derivatives offers access to an array of platform chemicals through energy- and atom-efficient catalytic processes. Supported metal nanoparticles are promising catalysts for the aerobic selective oxidation of 5-hydroxymethylfurfural (HMF) to 2,5-furandicarboxylic acid (FDCA), but typically require strong liquid base to achieve high selectivity. Here, we explore the utility of MgO as a solid base support for the Ru-catalysed aerobic oxidation of HMF, obtaining 68\% FDCA yield at 160{\textdegree}C and 1.5\ MPa of O2\ using \<1\ mol-\% metal.

}, doi = {https://doi.org/10.1071/CH24082}, author = {Lokhande, Priya and Dhepe, Paresh L. and Wilson, Karen and Lee, Adam F.} } @article {49197, title = {Safety enhanced novel polymer electrolytes for lithium-ion battery: Anomalous output performance with long term cycling stability by doping and polymer blending}, journal = {MATERIALS TODAY CHEMISTRY}, volume = {39}, year = {2024}, month = {JUL}, pages = {102121}, keywords = {Blend polymers, Ceramic fillers, Gel polymer electrolytes}, issn = {2468-5194}, doi = {10.1016/j.mtchem.2024.102121}, author = {Balakrishnan, Neethu T. M. and Melepurakkal, Amrutha and Das, Akhila and Kenz, K. T. Mohammed and Subramaniam, Mohanapriya and Shelke, Manjusha and Pullanchiyodan, Abhilash and Raghavan, Prasanth} } @article {49238, title = {Scalable approach using a gC3N4 -covalent organic framework hybrid catalyst towards sustainable hydrogen production from seawater and wastewater}, journal = {CHEMICAL SCIENCE}, volume = {15}, year = {2024}, month = {AUG 22}, pages = {13381-13388}, type = {Journal Article}, issn = {2041-6520}, doi = {10.1039/d4sc01387e}, author = {Asokan, Kiran and Bhagyasree, T. M. and Devasia, George and Krishnamurty, Sailaja and Solim, Sabah and Rueda, Lina and Al-Mohannadi, Dhabia M. and Al-Hashimi, Mohammed and Kakosimos, Konstantinos and Santhosh Babu, Sukumaran} } @article {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 {49188, title = {Self-consistent molecular mechanism of β2-microglobulin aggregation}, journal = {Journal of Physical Chemistry B}, volume = {128}, year = {2024}, month = {DEC}, pages = {12425-12442}, type = {Article}, abstract = {

Despite the consensus on the origin of dialysis-related amyloidosis (DRA) being beta(2)-microglobulin (beta(2)m) aggregation, the debate on the underlying mechanism persists because of the continuous emergence of beta(2)m variant- and pH-dependent contradictory results. By characterizing the native monomeric (initiation) and aggregated fibrillar (termination) states of beta(2)m via a combination of two enhanced sampling approaches, we here propose a mechanism that explains the heterogeneous behavior of wild-type (WT) and pathogenic (V27M and D76N) beta(2)m variants in physiological and disease-pertinent acidic pH environments. It appears that the higher retainment of monomeric native folds at neutral pH (native-like) distinguishes pathogenic beta(2)m mutants from the WT (moderate loss). However, at acidic pH, all three variants behave similarly in producing a substantial amount of partially unfolded states (conformational switch, propensity), though with different extents (WT \< V27M \< D76N). Whereas at the fibrillar end, all beta(2)m variants display a pH-dependent protofilament separation pathway and a higher protofilament binding affinity (stability) at acidic pH, where the relative order of binding affinity (WT \< V27M \< D76N) remains consistent with pH modulation. Combining these observations, we conclude that beta(2)m variants possibly shift from native-like aggregation to conformational switch-initiated fibrillation as the pH is altered from neutral to acidic. The combined propensity-stability approach based on the initiation and termination points of beta(2)m aggregation not only assists us in deciphering the mechanism but also emphasizes the protagonistic roles of both terminal points in the overall aggregation process.

}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.4c06611}, author = {Tammara, Vaishnavi and Das, Atanu} } @article {49016, title = {Shell waste valorization to chemicals: methods and progress}, journal = {Green Chemistry }, volume = {26}, year = {2024}, month = {MAY}, pages = {5601-5634}, type = {Review}, abstract = {

In light of growing energy and resource demands, the conversion of biomass materials into diverse chemicals and fuels holds significant importance. This process enables the utilization of biomass as a valuable and renewable resource to meet these escalating needs. The current biomass valorization processes are largely based on plant-derived lignocellulosic biomass materials. Studying new genres of biomass materials and their value addition is highly desirable, and they would complement and expand the existing biorefinery system. Crustacean shell waste represents a highly potential bioresource that is composed of a set of useful chemicals, among which chitin, the amino polysaccharide, has come to the fore as a promising material for a plethora of applications. In terms of the abundance of biopolymers on Earth, cellulose is the most prevalent biopolymer, and chitin ranks as the second. The presence of biologically fixed nitrogen in the structure of chitin opens up new possibilities for making useful chemicals, notably nitrogen-containing chemicals, which are otherwise impossible to produce directly from lignocellulosic biomass. In the last two decades, several attempts have been made by researchers in this area to convert chitin and its derivatives into valuable chemicals. This review comprehensively summarizes the transformation of the chitin fraction from shell waste to various chemicals through different thermo-catalytic processes and appraises the advancements in this area. The effect of various catalytic systems on chitin biomass valorization processes and the challenges and opportunities allied to this are discussed. This review summarises the thermo-catalytic processes converting chitin from shell waste into diverse chemicals and reviews the advances, catalytic systems, and associated challenges.

}, issn = {1463-9262}, doi = {10.1039/d3gc05177c}, author = {Korampattu, Lavanya and Ghosh, Neha and Dhepe, Paresh L.} } @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 {49089, title = {Size matters: computational insights into the crowning of noble gas trioxides}, journal = {Inorganic Chemistry}, volume = {63}, year = {2024}, month = {FEB}, pages = {4099-4107}, type = {Article}, abstract = {

In pursuit of enhancing the stability of the highly explosive and shock-sensitive compound XeO3, we performed quantum chemical calculations to investigate its possible complexation with electron-rich crown ethers, including 9-crown-3, 12-crown-4, 15-crown-5, 18-crown-6, and 21-crown-7, as well as their thio analogues. Furthermore, we expanded our study to other noble gas trioxides (NgO(3)), namely, KrO3 and ArO3. The basis set superposition error (BSSE) corrected interaction energies for these adducts range from -13.0 kcal/mol to -48.2 kcal/mol, which is notably high for sigma-hole-mediated noncovalent interactions. The formation of these adducts was observed to be more favorable with the increase in the ring size of the crowns and less favorable while going from XeO3 to ArO3. A comprehensive analysis by various computational tools such as the mapping of the electrostatic potential (ESP), Wiberg bond indices (WBIs), Bader{\textquoteright}s theory of atoms-in-molecules (AIM), natural bond orbital (NBO) analysis, noncovalent interaction (NCI) plots, and energy decomposition analysis (EDA) revealed that the C-H center dot center dot center dot O interactions, as well as dispersion interactions, play a pivotal role in stabilizing adducts involving larger crowns. A noteworthy outcome of our study is the revelation of a coordination number of 9 for xenon in the complex formed between XeO3 and the thio analogue of 18-crown-6, which is higher than the largest number reported to date.

}, issn = {0020-1669}, doi = {10.1021/acs.inorgchem.3c03782}, author = {Dash, Soumya Ranjan and Sharma, Himanshu and Tiwari, Mrityunjay K. and Greb, Lutz and Vanka, Kumar} } @article {49241, title = {Solution-phase ligand engineering for all-quantum-dot near-infrared light-emitting diodes}, journal = {ACS Applied Nano Materials}, volume = {7}, year = {2024}, month = {APR }, pages = {9126-9135}, type = {Article}, abstract = {

Strong emission over a wide near-infrared (NIR) region makes lead sulfide quantum dots (QDs) a preferred material in building NIR light-emitting diodes (NIR-LEDs) for numerous applications. Narrow-bandgap emitter QDs blended in the matrix of high-band gap QDs offer a simple yet powerful architectural platform for building high-performance NIR-LEDs. So far, the all-QD-based blend architecture has been realized using a poorly controlled solid-state ligand exchange approach. Advanced solution-phase ligand exchange, which offers greater control over surface passivation, is yet to be realized in all-QD LED device construction. We observe that the solution-phase ligand exchange from the optimized lead halide and thiol ligand combination, used in high-performing QD solar cell construction, is inefficient in realizing efficient all-QD LEDs, which could have restricted the adoption of the solution-phase ligand exchange thus far. Here, we introduce an innovative dual-ligand strategy to build all-QD-based NIR-LEDs using an advanced solution-phase ligand exchange approach. Through ligand engineering of matrix QDs, we managed to improve photoluminescence quantum yield (40\%), reduce trap density (10(14) cm(-3)), and prolong carrier lifetime (832 ns). The LED devices benefit from improved electronic properties and balanced carrier injection to yield 6\% EQE and 7.7\% PCE, which are six times higher than those of state-of-the-art ligands.

}, keywords = {electroluminescence, lead sulfide, ligand passivation, light-emitting diodes, near-infrared, quantumdots}, doi = {10.1021/acsanm.4c00634}, author = {Biswas, Arindam and Mitra, Anurag and Sharma, Ashish and Shinde, Dipak Dattatray and Dambhare, V. Neha and Sharma, Anjali and Mahajan, Chandan and Rath, Arup K.} } @article {49422, title = {Strain improvement for cellulolytic enzymes for effective saccharification of lignocellulosic biomass by mutant of Penicillium funiculosum NCIM 1228}, journal = {Systems Microbiology and Biomanufacturing}, volume = {4}, year = {2024}, month = {FEB}, pages = {716{\textendash}730}, type = {Article}, abstract = {

Lignocellulosic biomass (LCB) generated from various agro-waste can be effectively used to manufacture a broad range of value-added products cost-effectively. However, the high cost of cellulases is still a major challenge in producing biofuels and biochemicals from LCB on an industrial scale. The enzyme output and activity of cellulase in the fermentation broth are closely linked in terms of enzyme manufacturing costs. Therefore, research on efficient fermentation processes of hyperactive fungi, and cost-effective recovery systems have been directed toward lowering enzyme costs and increasing overall enzyme production.\ Penicillium funiculosum\ NCIM 1228 (P. funiculosum\ NCIM 1228) is a feasible cellulase-producing strain that possesses all four enzymes required to efficiently hydrolyse LCB. The primary objective of this study was to employ random mutagenesis to increase enzymes titer, yield, and productivity. The potential mutant D4 (derived by Ethyl methanesulfonate (EMS) mutation) exhibited 6.47, 3.05, 3.03, and 3.19-fold higher activities of FPase, CMCase, β-glucosidase, and xylanase, respectively, compared to the parent strain. Mutant D4 demonstrated a promising protein titer of 17.96\ g/L at the 40\ L fermenter scale, with productivities of 479, 4249, and 6987 U/L/day for FPase, CMCase, and Xylanase, respectively, on the tenth day. Interestingly, the crude form of enzymes from the mutant demonstrated promising saccharification, releasing 3.54\% of glucose and achieving a 54.03\% of cellulose conversion efficiency without formulation. In comparison, a commercially formulated enzyme exhibited 53.07\% efficiency against pre-treated sugarcane bagasse, indicating its promising potential for future applications.

}, author = {Chavan, Sambhaji and Shete, Ashvini and Dharne, Mahesh S.} } @article {48966, title = {Strain improvement for enhanced erythritol production by Moniliella pollinis Mutant-58 using jaggery as a cost-effective substrate}, journal = {International Microbiology }, volume = {27}, year = {2024}, month = {APR}, pages = {581-596}, type = {Article}, abstract = {

Erythritol has been produced by various microorganisms including Yarrowia, Moniliella, Aureobasidium, and Candida strains. Due to its relatively high price, erythritol sweetener is used lesser than other polyols despite having many advantages. Therefore, in this study, Moniliella pollinis strain was improved for erythritol production by chemical mutagenesis and subsequently screening for cost-effective carbon sources for the enhanced erythritol yield. M. pollinis was subjected to N-methyl N-nitro N-nitroso guanidine (NTG), ethyl methyl sulfonate (EMS), and UV mutagenesis for improved erythritol production. The fmutant strains were evaluated for enhanced erythritol production medium optimization by using different carbon substrates at the shake flask level. To enhance the production of erythritol and statistical media, optimization was carried out using a central composite design (CCD). Among 198 isolated mutants, Mutant-58 strain generated by EMS mutagenesis was selected for further assessment. The Mutant-58 strain showed significant morphological changes as compared to the parent strain. Furthermore, statistically optimized media composition resulted in the higher production of erythritol (91.2 \& PLUSMN; 3.4 g/L) with a yield of 40.7 \& PLUSMN; 3.4 \% in shake flask experiments. The optimized medium composition for erythritol production constitutes (g/L) 225 jaggery, 4.4 yeast extract (YE), 4.4 KH2PO4, 0.31 MgSO4, and pH 5.5. The present study demonstrated strain improvement, media, and process optimization resulting in a 30\% increase in the erythritol production in the Mutant-58 as compared to the parent strain. This is also the first instance where jaggery has been used as a cost-effective carbon source alternative to glucose for industrial-scale erythritol production.

}, keywords = {Erythritol, Fermentation, Moniliella pollinis, Mutation, Optimization, renewable resource}, issn = {1139-6709}, doi = {10.1007/s10123-023-00411-8}, author = {Khatape, Anil B. and Rangaswamy, Vidhya and Dastager, Syed G.} } @article {49284, title = {Structural insights into ketanserin salts with aliphatic acids and their physiochemical properties}, journal = {CRYSTENGCOMM}, volume = {26}, year = {2024}, month = {NOV }, pages = {6260-6268}, type = {Journal Article}, keywords = {PHARMACEUTICAL COCRYSTAL, SEROTONIN, SHYDROCHLOROTHIAZIDE, solubility}, doi = {10.1039/d4ce00738g}, author = {Kenguva, Gowtham and Rout, Smruti Rekha and Shaikh, Tabrez R. and Baidya, Debjani and Shelke, Nikita and Sanphui, Palash and Dandela, Rambabu} } @article {49246, title = {Switchable molecular electrocatalysis}, journal = {CHEMICAL SCIENCE}, volume = {15}, year = {2024}, month = {AUG }, pages = {13262-13270}, type = {Journal Article}, keywords = {CO2 reduction, COBALT PHTHALOCYANINE, NANOPOROUS GOLD, oxygen reduction}, issn = {2041-6520}, doi = {10.1039/d4sc01284d}, author = {Dutt, Shifali and Kottaichamy, Alagar Raja and Dargily, Neethu Christudas and Mukhopadhyay, Sanchayita and Nayak, Bhojkumar and Devendrachari, Mruthyunjayachari Chattanhali and Vinod, Chatakudhath Prabakaran and Kotresh, Harish Makri Nimbegondi and Thotiyl, Musthafa Ottakam} } @article {49334, title = {Synergistic effects of the substrate-ligand interaction in metal-organic complexes on the de-electronation kinetics of a vitamin C fuel cell}, journal = {Dalton Transactions}, volume = {53}, year = {2024}, month = {AUG }, pages = {13384-13393}, type = {Article}, abstract = {

The rising demand for portable energy conversion devices has spurred the advancement of direct liquid fuel cells (DLFCs) employing fuels such as alcohol, ammonia, hydrazine, and vitamin C. In these devices, various precious metal platforms have been explored to increase the de-electronation kinetics and reduce catalyst poisoning, but with substantial cost implications. We demonstrate the crucial role of ligands in non-precious organometallic complexes in influencing the de-electronation kinetics of fuel molecules through a unique substrate-ligand synergistic interaction. This unique chemistry imparts electron deficiency at the catalytic metal center while simultaneously populating the ligand with an extensive proton charge assembly. This distinct substrate-ligand interaction enhances the DLFC performance by coulombically dragging the substrate with a distinct amplification in its de-electronation kinetics. By integrating this approach with a ferricyanide/ferrocyanide half-cell reaction, a precious metal-free vitamin C fuel cell is developed, which is capable of generating an open circuit voltage of similar to 950 mV, a peak power density of similar to 97 mW cm-2 at a peak current density of similar to 215 mA cm-2 with the performance metrics nearly 1.7 times higher than a precious metal based DLFC. This highlights the potential of the substrate-ligand synergy in the design of efficient molecular catalysts for energy conversion applications. A precious metal-free biomass fuel cell through substrate-ligand interactions.

}, issn = {1477-9226}, doi = {10.1039/d4dt01370k}, author = {Parmar, Muskan and Mukhopadhyay, Sanchayita and Mondal, Ritwik and Nayak, Bhojkumar and Dargily, Neethu Christudas and Kotresh, Harish Makri Nimbegondi and Vinod, Chathakudath Prabhakaran and Ottakam Thotiyl, Musthafa} } @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 {49328, title = {Synthesis and processing strategy for high-bandgap PbS quantum dots: a promising candidate for harvesting high-energy photons in solar cells}, journal = {ACS Applied Materials \& Interfaces}, volume = {16}, year = {2024}, month = {AUG }, pages = {42522-42533}, type = {Article}, abstract = {

The wide tunability of the energy bandgap of colloidal lead sulfide (PbS) quantum dots (QDs) has uniquely positioned them for the development of single junction and tandem solar cells. While there have been substantial advancements in moderate and narrow bandgap PbS QDs-ideal for single junction solar cells and the bottom cell in tandem solar cells, respectively; progress has been limited in high-bandgap PbS QDs that are ideally suited for the formation of the top cell in tandem solar cells. The development of appropriate high bandgap PbS QDs would be a major advancement toward realizing efficient all-QD tandem solar cells utilizing different sizes of PbS QDs. Here, we report a comprehensive approach encompassing synthetic strategy, ligand engineering, and hole transport layer (HTL) modification to implement high-bandgap PbS QDs into solar cell devices. We achieved a greater degree of size homogeneity in high-bandgap PbS QDs through the use of a growth retarding agent and a partial passivation strategy. By adjusting the ligand polarity, we successfully grow HTL over the QD film to fabricate solar cells. With the aid of an interface modifying layer, we incorporated an organic HTL for the realization of high-performance solar cells. These solar cells exhibited an impressive open-circuit voltage of 0.824 V and a power conversion efficiency of 10.7\%, marking a 360\% improvement over previous results.

}, keywords = {charge transport, lead sulfide, ligand passivation, quantum dots, solar cell}, issn = {1944-8244}, doi = {10.1021/acsami.4c09364}, author = {Shinde, Dipak Dattatray and Sharma, Anjali and Dambhare, Neha V. and Mahajan, Chandan and Biswas, Arindam and Mitra, Anurag and Rath, Arup K.} } @article {49416, title = {Synthesis, characterization, and crystal structure of 2-(2-azido-phen-yl)-3-oxo-3H-indole 1-oxide}, journal = {Acta Crystallographica Section E Crystallographic Communications}, volume = {80}, year = {2024}, month = {MAR}, pages = {310-313}, abstract = {
An attempt to explore the reactivity of the nitro group in the presence of gold catalysis in comparison to the azide group yielded intriguing results. Surprisingly, only the nitro group exhibited reactivity, ultimately giving rise to the formation of the title isatogen.
An attempt to explore the reactivity of the nitro group in the presence of gold catalysis in comparison to the azide group yielded intriguing results. Surprisingly, only the nitro group exhibited reactivity, ultimately giving rise to the formation of the title isatogen, C14H8N4O2. In the crystal structure, weak C{\textemdash}H...O hydrogen bonds and π{\textendash}π stacking inter-actions link the mol-ecules. The structure exhibits disorder of the mol-ecule.

}, doi = {https://doi.org/10.1107/S2056989024001440}, author = {Dhote, Pawan and Tothadi, Srinu and Ramana, Chepuri V. and Chopra, D.} } @article {49304, title = {Synthesis of tetracyclic benzoxazolo-indol-3-ones from isatogens and arynes through a [3+2]-cycloaddition and skeletal reorganization}, journal = {Journal of Organic Chemistry}, volume = {89}, year = {2024}, month = {OCT }, pages = {14919-14928}, type = {Article}, abstract = {

The construction of an unprecedented tetracyclic benzoxazolo-indol-3-one scaffold has been executed through the [3 + 2]-cycloaddition of isatogens with arynes. The initially formed benzisoxazolo-indol-3-one intermediate undergoes a skeletal reorganization through a 1,3-sigmatropic shift/retro-Mannich reaction with the net formation of one C-N and two C-O bonds. The Lewis acid-catalyzed allylation of some of the resulting benzoxazolo-indol-3-ones resulted in oxazepino-indolones with promising photophysical properties.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.4c01667}, author = {Halnor, Swapnil V. and Singh, Maneesha and Dhote, Pawan S. and Ramana, Chepuri V.} } @article {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 {49631, title = {Systemic review on fitness and survival of salmonella in dynamic environment and conceivable ways of its mitigation}, journal = {Indian Journal of Microbiology}, volume = {64}, year = {2024}, month = {JUN}, pages = {267-286}, type = {Review}, abstract = {

Gastroenteritis caused by non-typhoidal Salmonella still prevails resulting in several recent outbreaks affecting many people worldwide. The presence of invasive non-typhoidal Salmonella is exemplified by several characteristic symptoms and their severity relies on prominent risk factors. The persistence of this pathogen can be attributed to its broad host range, complex pathogenicity and virulence and adeptness in survival under challenging conditions inside the host. Moreover, a peculiar aid of the ever-changing climatic conditions grants this organism with remarkable potential to survive within the environment. Abusive use of antibiotics for the treatment of gastroenteritis has led to the emergence of multiple drug resistance, making the infections difficult to treat. This review emphasizes the importance of early detection of Salmonella, along with strategies for accomplishing it, as well as exploring alternative treatment approaches. The exceptional characteristics exhibited by Salmonella, like strategies of infection, persistence, and survival parallelly with multiple drug resistance, make this pathogen a prominent concern to human health.

}, keywords = {Antibiotic resistance, Gastroenteritis, Non-typhoidal Salmonella, pathogenesis, Plant-derived metabolites, Salmonella pathogenicity islands, Type III secretion system}, issn = {0046-8991}, doi = {10.1007/s12088-023-01176-4}, author = {Sutar, Ajit A. and Dashpute, Rohit S. and Shinde, Yashodhara D. and Mukherjee, Srestha and Chowdhury, Chiranjit} } @article {49318, title = {Tailoring helical ends of π-extended [6]heterohelicenes to control optical, and electrochemical features}, journal = {Chemical Communications}, volume = {60}, year = {2024}, month = {OCT }, pages = {11944-11947}, type = {Article}, abstract = {

The inherent helical chirality and improved pi-stacking capabilities endow helicenes with fascinating photophysical characteristics when decorated with lateral pi-extensions. Here, we report the synthesis and physicochemical characterization of expanded hetero[6]helicenes fused with thiadiazole and selenadiazole rings at the helical ends. Comparing these heterohelicenes revealed the impact of the heteroatom-embedded aromatic rings on the excited state and redox features. A small structural variation of the terminal rings from thiadiazole to selenadiazole caused a striking change in the heterohelical nanographenes. The inherent helical chirality and improved pi-stacking capabilities endow helicenes with fascinating photophysical characteristics when decorated with heteroatoms.

}, issn = {1359-7345}, doi = {10.1039/d4cc03707c}, author = {Kumar, Viksit and Dongre, Sangram D. and Venugopal, Geethu and Narayanan, Aswini and Babu, Sukumaran Santhosh} } @article {49186, title = {Taming XeO3 with aza-crowns: computational studies into σ-hole mediated host-guest interactions}, journal = {ChemPhysChem}, volume = {25}, year = {2024}, month = {SEP}, pages = {e202400302}, type = {Article}, abstract = {

Various aza-crowns with different sizes and substituents have been explored computationally as potential hosts for stabilizing the explosive guest xenon trioxide (XeO3) through sigma-hole-mediated aerogen bonding interactions. Interestingly, aza-crowns demonstrate superior binding towards XeO3 compared to their oxygen and thio counterparts. However, unlike the latter cases, where the binding was found to be increasingly favorable with the increase in the size of the crowns, aza-crowns exhibit a variable size preference for XeO3, peaking with aza-15-crown-5, and reducing thereafter with increase in crown size.

}, keywords = {aza-crowns, host-guest systems, noncovalent interactions, sigma (sigma) hole, Xenon}, issn = {1439-4235}, doi = {10.1002/cphc.202400302}, author = {Dash, Soumya Ranjan and Vanka, Kumar} } @article {49388, title = {Temperature-controlled hydrothermal synthesis of α-MnO2 nanorods for catalytic oxidation of cyclohexanone}, journal = {CHEMPLUSCHEM}, volume = {89}, year = {2024}, month = {JUL}, type = {Journal Article}, keywords = {Adipic Acid, conversion, MANGANESE OXIDES}, issn = {2192-6506}, doi = {10.1002/cplu.202300589}, author = {Jha, Ratnesh Kumar and Manikandan, Marimuthu and Prabu, Marimuthu and Vineeth, Nidhi R. and Dharmalingam, Praveen and Archana, Ramakrishnan and Harsha, Murudappa and Shankar, Sonu Ram and Bhatte, Kushal and Raja, Thirumalaiswamy} } @article {49195, title = {Transient Electro-Graphitization of MOFs Affecting the Crystallization of Ruthenium Nanoclusters for Highly Efficient Hydrogen Evolution}, journal = {ADVANCED FUNCTIONAL MATERIALS}, volume = {34}, year = {2024}, month = {AUG}, type = {Journal Article}, keywords = {amorphous ruthenium, crystallization control, graphitic nanostructure}, issn = {1616-301X}, doi = {10.1002/adfm.202315460}, author = {Karim, Golam Masud and Patra, Amalika and Deb, Sujit Kumar and Upadhya, Hemanta and Das, Snehasish and Mukherjee, Priyam and Ahmad, Waleed and Barman, Narad and Thapa, Ranjit and Dambhare, V, Neha and Rath, Arup Kumar and Das, Jaysri and Manna, Uttam and Urkude, Rajashri R. and Oh, Youngtak and Maiti, Uday Narayan} } @article {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 {49283, title = {Triazatruxene amine donor-based visible-light-responsive unsymmetrical squaraine dyes for dye-sensitized solar cells}, journal = {ACS Applied Energy Materials}, volume = {7}, year = {2024}, month = {SEP}, pages = {7982-7991}, type = {Article}, abstract = {

Optimized charge-transfer dynamics at the dye-TiO2/electrolyte interface are required for an enhanced dye-sensitized solar cell (DSSC) device performance. Such an optimized interface enhances the charge-injection, dye-regeneration, and diminished charge-recombination processes, synergistically enhancing the device efficiency. In this study, octupolar-structured sensitizers are designed to improve the interaction between the dye and the redox electrolyte for increasing the dye-regeneration process upon photoexcitation. Accordingly, a set of unsymmetrical squaraine dyes with indoline and triazatruxene amine donor-based D-A-D dyes are designed (KV1-KV3), synthesized, and sensitized with a semiconducting metal oxide (TiO2) film. The sensitizer forms a monolayer on the TiO2 surface, leading to a dye-dye interaction, which broadens the absorption spectrum. The N atom of the triazatruxene amine donor was left unsubstituted in KV1, whereas a hexyl chain was installed in KV2 and KV3 and a branched alkyl chain was installed on the core N atoms in KV3 to control the self-assembly of dyes on the TiO2 surface. Self-assembly of alkyl groups wrapped in KV1-KV3 dyes on the TiO2 surface aids surface passivation and broadens the absorption profile, improving the light-harvesting capabilities. The DSSC devices based on KV2 exhibited a high power conversion efficiency of 7.85\% (V-oc = 794 mV, J(sc) = 14.76 mA/cm(2), and FF = 67\%), with an onset incident photon-to-current conversion efficiency response from 680 nm.

}, keywords = {aggregationof dyes, Dye-sensitized solar cells, metal-free organic dyes, self-assembly of dye, squaraine dyes, triazatruxene}, issn = {2574-0962}, doi = {10.1021/acsaem.4c01591}, author = {Ingole, Kiran Balaso and Deshmukh, Shivdeep Suresh and Verma, Tushar Singh and Krishnamurty, Sailaja and Krishnamoorthy, Kothandam and Nithyanandhan, Jayaraj} } @article {49392, title = {{\textquoteleft}Turning on{\textquoteright} to glutathione: a rhodamine-based fluorescent chemodosimeter with nanomolar sensitivity}, journal = {ChemistrySelect}, volume = {9}, year = {2024}, month = {OCT}, pages = {e202402943}, type = {Article}, abstract = {

A new colorimetric and fluorescence turn-on chemodosimeter for selective detection of GSH over Cys and Hcy with 34-fold enhancement in emission intensity is reported. Probe 1 exhibited ultra-sensitivity toward GSH with 0.125 nM detection limit and successfully displayed GSH detection in MCF-7 live cells. The mechanism of sensing is established by density functional theoretical calculations.

}, keywords = {Chemodosimeter, Fluorescence turn-on, GSH, MCF-7 cells, Rhodamine}, issn = {2365-6549}, doi = {10.1002/slct.202402943}, author = {Badekar, Pooja S. and Deo, Harshada S. and Varma, Mokshada E. and Kulkarni, Prasad P. and Maibam, Ashakiran and Krishnamurty, Sailaja and Kumbhar, Anupa A.} } @article {49350, title = {Ultra-small Au nanoclusters with tailored photoluminescence properties using modified thiol ligands: a computational and experimental demonstration}, journal = {Particle \& Particle Systems Characterization}, volume = {41}, year = {2024}, month = {OCT}, type = {Article}, abstract = {

Au nanoclusters with tailored photoluminescence can be obtained through controlled nanoparticle ligand interface chemistry. The present work reports molecular gold nanoclusters with tuneable photoluminescence emission from 600 to 700 nm using N,N {\textquoteleft},N {\textquoteleft}{\textquoteright}-trialkyl (11-mercaptoundecyl)ammonium chloride ligands as capping-agents. The tunability within red spectral region is regulated through specific interface chemistry between gold nanoclusters of molecular range and functional groups of the quaternary ammonium head over N,N {\textquoteleft},N {\textquoteleft}{\textquoteright}-trialkyl(11-mercaptoundecyl)ammonium chloride. Combined understanding obtained from the spectroscopy, microscopy, and density functional theory studies demonstrate that the functional group specific electronic interactions at the interfaces steer the emission characteristics of {\textquoteleft}{\textquoteleft}molecular{\textquoteright}{\textquoteright} Au nanoparticles. The study clearly identifies that bulkier functional groups, i.e., triethyl, tripropyl, tributyl, and dimethyl benzene over N+ (of thiol ligand) through their steric effects minimize the particle size giving rise to tunable photoluminescence emission in red spectral region. However, the red shift seen in the emission Au nanoclusters with N-(11-mercaptoundecyl)-N,N {\textquoteleft}-dimethylbenzenammonium chloride ligand in contradiction to particle size effect is computationally proved to be due to the delocalization of electron density from benzene aromatic ring to N+ of ammonium head leading to a reduction in the HOMO-LUMO energy gap. Fluorescence properties of water dispersible Au nanoclusters are tuned by varying the ammonium head group. Density Functional Theory studies correlate the distinction in emission when head group is phenyl to charge transfer characteristics. image

}, keywords = {Density functional theory, photoluminescent Au nanoclusters, surface plasmon resonance, thiol ligand}, issn = {0934-0866}, doi = {10.1002/ppsc.202400011}, author = {Chahande, Anurag M. and Maibam, Ashakiran and Krishnamurty, Sailaja and Devi, R. Nandini} } @article {49265, title = {Unprecedented C-F bond cleavage in perfluoronaphthalene during cobaltocene reduction}, journal = {DALTON TRANSACTIONS}, volume = {53}, year = {2024}, month = {NOV }, pages = {17789-17793}, type = {Journal Article}, issn = {1477-9226}, doi = {10.1039/d4dt02791d}, author = {Kundu, Gargi and Pramanik, Debjit and Dash, Soumya Ranjan and Kumar, Ravi and Sangole, Mayur and Tothadi, Srinu and Ghosh, Aryya and Vanka, Kumar and Singh, Kirandeep and Sen, Sakya S.} } @article {49347, title = {Unravelling polymorphism-driven luminescence in GFP chromophore analogues: insights into the phase transition and morphology-dependent optical waveguide properties}, journal = {Journal of Materials Chemistry C}, volume = {12}, year = {2024}, month = {JUN }, pages = {8368-8379}, type = {Article}, abstract = {

The advent of multi-emission organic solid-state materials in response to external stimuli has sparked the scientific community due to their potential application in developing sophisticated optoelectronic sensors and bioanalytical tools. This article presents green fluorescent protein chromophore (GFPc) analogue-based polymorphs exhibiting significantly different emissions due to various noncovalent interactions in the supramolecular environment and conformational alterations in the crystalline state. In both compounds (A and B), the polymorphs undergo monotropic thermal phase transitions that are characterized by DSC, HSM, and VT-PXRD techniques. The distinct fluorescent emission characteristics of these polymorphs demonstrated morphology-related optical waveguiding features. Specifically, the plate-type Form A1 emitted light with a 2D blue hue, while the needle-type Form A2 emitted light with a yellowish-green colour. Additionally, the impressive waveguiding capabilities of Form B1 were explored in both straight and singly/doubly bending configurations to facilitate fluorescence propagation. Consequently, there is significant interest in developing organic materials based on GFP chromophores, which exhibit low emission in solution but display multi-fluorescent emission in the solid state. These materials are promising for applications such as optoelectronic devices, security tags, live cell imaging, and fluorescent inks. Polymorphs of GFPc analogs A and B display differences in their optical waveguiding properties in 1D and 2D depending on the crystal shapes. Furthermore, Form B1 demonstrates efficient optical waveguiding capabilities even when the crystal is bent.

}, issn = {2050-7526}, doi = {10.1039/d3tc04676a}, author = {Dabke, Niteen B. and Raut, Yash and Mali, Bhupendra P. and Pandya, Rinu and Vanka, Kumar and Manoj, Kochunnoonny and Gonnade, Rajesh G.} } @article {49381, title = {Unravelling the prebiotic origins of the simplest α-ketoacids in cometary ices: a computational investigation}, journal = {CHEMICAL COMMUNICATIONS}, volume = {60}, year = {2024}, month = {OCT }, pages = {11283-11286}, type = {Journal Article}, keywords = {GLYOXYLATE, Hydrocarbons, Metabolism, Precursors}, issn = {1359-7345}, doi = {10.1039/d4cc03074e}, author = {Dash, Soumya Ranjan and Pandya, Rinu and Singh, Geetika and Sharma, Himanshu and Das, Tamal and Haldar, Hritwik and Hotha, Srinivas and Vanka, Kumar} } @article {49299, title = {Unveiling different structural orderings in Fe5-xGeTe2}, journal = {Physical Review B}, volume = {110}, year = {2024}, month = {AUG}, pages = {075119}, type = {Article}, abstract = {

We investigate the metallic van der Waals itinerant ferromagnet Fe5-xGeTe2 5 - x GeTe 2 with atomic scale, spatially resolved low-temperature scanning tunneling microscopy (STM), and spectroscopy (STS). STM images unveil / / a new structural order 2a a x 1a a along with the known order 3a a x 3a a manifesting as nonuniform domains. STS shows spatial and energy resolved local density of states that reveal the crucial influence of Fe(1) site occupancy on the system{\textquoteright}s electronic interactions. Our magnetization measurements show magnetic anomalies at lower temperatures and identify a Curie temperature (Tc) c ) surpassing room temperature. Collectively, our results elucidate the intricate nature of Fe5-xGeTe2 5 - x GeTe 2 and underscore its potential for tunability of spintronics and high-temperature magnetic applications.

}, issn = {2469-9950}, doi = {10.1103/PhysRevB.110.075119}, author = {Walve, Vaibhav and Parakh, Piyush and Rajput, Umashankar and Mhase, Akash S. and Singh, Kirandeep and Deshpande, Aparna} } @article {49052, title = {Unveiling electronic structure and magnetic properties of AFe2O4 (A = Co, Ni, Zn, and Mg): Synergizing experimentation with DFT investigation}, journal = {Solid State Communications}, volume = {382}, year = {2024}, month = {APR }, pages = {115459}, type = {Article}, abstract = {

This study presents the synthesis of nano-crystalline spinel ferrites AFe2O4 (A = Co2+, Ni+2, Zn+2, and Mg+2), through the sol-gel method, yielding crystallite sizes ranging from 12 to 28 nm. The variation in IR and Raman spectra due to M-O-M bonding supports the variation in lattice parameters. The magnetization measurements revealed that CoFe2O4 has a high saturation magnetization of -55 emu/g and coercivity of -1350 Oe, while ZnFe2O4 exhibited saturation magnetization value of -8 emu/g and coercivity of -16 Oe. In addition, the electronic structure calculated using DFT, which corroborated the antiparallel alignment of Fe ions in the tetrahedral and octahedral sites, validating the measured magnetic moments. Notably, the CoFe2O4 ferrite exhibited a higher squareness ratio than other ferrites, signifying its suitability as a magnetic material for audiovideo recording.

}, keywords = {Density functional theory, Ferrites, Magnetic materials, X-ray diffraction}, issn = {0038-1098}, doi = {10.1016/j.ssc.2024.115459}, author = {Dhaka, Saroj and Shukla, Aarti and Garima and Poonia, Kavita and Kumar, Sudesh} } @article {49288, title = {Unveiling the inverse sandwich complexes of XeO3: a computational exploration}, journal = {Inorganic Chemistry}, volume = {63}, year = {2024}, month = {JUL }, pages = {13585-13593}, type = {Article}, abstract = {

Our study introduces the design of inverse sandwich (iSw) complexes incorporating a noble gas compound: xenon trioxide (XeO3). Through comprehensive computational analyses, we have investigated the critical factors influencing their stability by employing a variety of state-of-the-art computational tools. We demonstrated that the coordination number of xenon in the iSw complex of XeO3 with 18-crown-6 is influenced by the presence of a rare, weakly stabilizing XeXe interaction between the XeO3 molecules. Furthermore, we observed that the stability of iSw complexes of 1,3,5-triphenylbenzene (TPB) and its derivatives is not solely attributed to aerogen bonding, but also involves contributions from C-HO interactions and back-donation from the lone pair of Xe to the antibonding C-C orbitals of TPB. Additionally, the significant contributions from orbital interactions and dispersion interactions in the TPB derivatives highlight the multifaceted amphoteric properties of XeO3 and reveal that the iSw complexes of TPB and derivatives are not predominantly governed by electrostatic interactions, contrary to conventional belief.

}, issn = {0020-1669}, doi = {10.1021/acs.inorgchem.4c01744}, author = {Dash, Soumya Ranjan and Vanka, Kumar} } @article {49049, title = {Utility of metagenomics for bioremediation: a comprehensive review on bioremediation mechanisms and microbial dynamics of river ecosystem}, journal = {Environmental Science and Pollution Research}, volume = {31}, year = {2024}, month = {MAR}, pages = {18422-18434}, type = {Review}, abstract = {

Global industrialization has contributed substantial amounts of chemical pollutants in rivers, resulting in an uninhabitable state and impacting different life forms. Moreover, water macrophytes, such as water hyacinths, are abundantly present in polluted rivers, significantly affecting the overall water biogeochemistry. Bioremediation involves utilizing microbial metabolic machinery and is one of the most viable approaches for removing toxic pollutants. Conventional techniques generate limited information on the indigenous microbial population and their xenobiotic metabolism, failing the bioremediation process. Metagenomics can overcome these limitations by providing in-depth details of microbial taxa and functionality-related information required for successful biostimulation and augmentation. An in-depth summary of the findings related to pollutant metabolizing genes and enzymes in rivers still needs to be collated. The present study details bioremediation genes and enzymes functionally mined from polluted river ecosystems worldwide using a metagenomic approach. Several studies reported a wide variety of pollutant-degrading enzymes involved in the metabolism of dyes, plastics, persistent organic pollutants, and aromatic hydrocarbons. Additionally, few studies also noted a shift in the microbiome of the rivers upon exposure to contaminants, crucially affecting the ecological determinant processes. Furthermore, minimal studies have focused on the role of water-hyacinth-associated microbes in the bioremediation potentials, suggesting the need for the bioprospecting of these lesser-studied microbes. Overall, our study summarizes the prospects and utilities of the metagenomic approach and proposes the need to employ it for efficient bioremediation.

}, keywords = {Bioremediation, Metagenomics, Rivers, Water hyacinth, Xenobiotic}, issn = {0944-1344}, doi = {10.1007/s11356-024-32373-3}, author = {Yadav, Rakeshkumar and Dharne, Mahesh} } @article {49249, title = {Viscosity effects on the dynamics of diols and diol-based deep eutectic solvents}, journal = {Photochemistry and Photobiology}, volume = {100}, year = {2024}, month = {JUL}, pages = {946-955}, type = {Article}, abstract = {

Diols, characterized by the presence of two hydroxyl groups, form extended hydrogen-bonded networks. Increasing hydrocarbon chain length is known to elevate the viscosity of diols. Given the established influence of viscosity on solvent dynamics, it becomes imperative to comprehend the impact of viscosity on the fluctuation dynamics within diols and establish connections with hydrogen bond formation and breaking dynamics. In this study, we employ two-dimensional infrared spectroscopy to investigate the viscosity dependence of the structural evolution dynamics in three diols with varying chain lengths. Complementing our experimental approach, molecular dynamics simulations are conducted to extract hydrogen bond lifetimes. Our findings reveal a linear correlation between bulk viscosity, solvent fluctuation timescales, and hydrogen bond lifetimes. Notably, the selected diols exhibit the capability to form deep eutectic solvents upon mixing with choline chloride at specific molar ratios. In contrast to molecular solvents like diols, deep eutectic solvents are characterized by the formation of heterogeneous nanodomains, comprising various intercomponent hydrogen-bonded networks. Interestingly, our observations indicate that while the fluctuation dynamics decelerate with increasing bulk viscosity in diol-based deep eutectic solvents, the relationship between viscosity and dynamics is not linear, in contrast to the observed linearity in diols. This nuanced understanding contributes to the broader comprehension of the interplay between viscosity and dynamics in both molecular and deep eutectic solvents. We investigate the impact of viscosity on structural evolution dynamics in diols with varying chain lengths. Employing two-dimensional infrared spectroscopy and molecular dynamics simulations, we explore the relationship between bulk viscosity, solvent fluctuation timescales, and hydrogen bond lifetimes. We report a linear correlation in diols between viscosity, fluctuation timescales, and hydrogen bond lifetimes. Diols also form deep eutectic solvents, characterized by heterogeneous nanodomains. While fluctuation dynamics slow down with increasing bulk viscosity in diol-based deep eutectic solvents, the relationship between viscosity and dynamics is nonlinear, contrasting with diols{\textquoteright} linearity. This understanding enhances comprehension of viscosity-dynamics interplay in molecular and deep eutectic solvents.image

}, keywords = {Dynamics, Hydrogen bond, solvent, spectroscopy, viscosity}, issn = {0031-8655}, doi = {10.1111/php.13950}, author = {Chatterjee, Srijan and Deshmukh, Samadhan H. and Chowdhury, Tubai and Bagchi, Sayan} } @article {49031, title = {Visible, far-red, and near-infrared active unsymmetrical squaraine dyes based on extended conjugation within the polymethine framework for dye-sensitized solar cells}, journal = {ACS Applied Energy Materials}, volume = {7}, year = {2024}, month = {FEB }, pages = {1461-1475}, type = {Article}, abstract = {

Alkyl group wrapped visible, far-red, and NIR active unsymmetrical squaraine dyes with pi-extension in the polymethine framework-based AM4-AM7 have been designed, synthesized, and utilized as sensitizers for dye-sensitized solar cells. To extend the pi-conjugation within the polymethine framework, thiophene moieties have been incorporated between the donor and acceptor moieties. Absorption spectroscopic studies revealed that pi-extension with each -C \& boxH;C- unit resulted similar to 100 nm of redshift in the charge transfer transition with the lambda(maximum) of 541, 643, 747, and 833 nm for AM4, AM5, AM6, and AM7 dyes, respectively, with the molar extinction coefficient of \>10(5) M(-1)cm(-1). The pi-extended conjugation-based AM6 and AM7 dyes showed improved light-harvesting efficiency (LHE), where the AM7 dye showed an LHE of 386 nm at 60\%. Electrochemical studies of AM dyes revealed that the HOMO energy level of the sensitizers has been modulated systematically. Further, pi-extension within the polymethine framework showed a dramatic effect on V-OC, J(SC), and device efficiency when move from visible active AM4 to far-red active to NIR active AM7 dyes. The DSSC efficiencies of 7.35, 5.18, 0.08, and 0.053\% have been achieved with the I-/I-3(-) electrolyte (Z-50) for the AM4, AM5, AM6, and AM7 dyes, respectively. Further, AM4 dye has been cosensitized with AM5, AM6, and AM7 dyes, where AM4:AM5 (1:1) composition achieved the maximum efficiency of 8.12\% with I-/I-3(-) electrolyte (Z-50) compared to the other cosensitization compositions.

}, keywords = {aggregation of dyes, DSSC device efficiency, light-harvesting efficiency, pi-extension, polymethine framework, squaraine dyes}, issn = {2574-0962}, doi = {10.1021/acsaem.3c02610}, author = {Singh, Amrita and Singh, Ambarish Kumar and Dixit, Ruchi and Vanka, Kumar and Krishnamoorthy, Kothandam and Nithyanandhan, Jayaraj} } @article {49112, title = {Wide temperature enhanced sodium storage in tailored, sustainable sodiophilic biphasic N-doped carbon}, journal = {Materials Today Chemistry }, volume = {37}, year = {2024}, month = {APR}, type = {Article}, abstract = {

Alternative to Li-ion batteries(LIB), Na-ion batteries (NIB) and Na metal batteries (NMB) are gaining significant attention due to their low cost, abundance, and safety. By modulating microstructural properties such as graphitization, heteroatom doping, surface-rich functional groups, and interlayer d-spacing, Na-ion storage in NIB and Na plating/striping in NMB can be ameliorated. This study reports sodiophilic N-doped polymer-derived carbon (PDC) as an anode for NIB and host for Na metal in NMB. As NIB anode, PDC provides a storage capacity of 173 mAh g- 1 at 1 A g- 1 in half-cell and 84 mAh g- 1 at 1C (1C = 128 mAhg- 1) in full-cell with Na3V2(PO4)2F3 (NVPF) cathode. As Na metal anode (NMA) host, a high columbic efficiency (C.E.) of 99.45\% for over 1000 cycles at 6 mA cm- 2_4 mAh cm-2 is obtained. Furthermore, fascinating wide temperature (50 degrees C and -20 degrees C) sodiumion storage is successfully demonstrated by PDC. Advanced X-ray photoelectron spectroscopy (XPS) confirmed the formation of stable and uniform solid electrolyte interphase (SEI) composed of inorganic and organic components, X-ray microtomography confirmed uniform Na plating throughout the volume of the electrode analogous to Brunauer-Emmett-Teller (BET) surface area, Raman spectroscopy, X-ray diffraction (XRD) and high-resolution transmission electron microscopy (HRTEM) results. A sustainable and scalable promising biphasic NIB anode and sodiophilic host for Na metal was possible due to larger d-spacing, partial graphitization, high mesoporosity, N-doping, presence of surface functional groups, better charge transfer, and diffusion properties.

}, keywords = {Full-cell, Low and elevated temperatures, Na metal host, Polymer-derived carbon, Sodium-ion battery, X-ray tomography}, issn = {2468-5194}, doi = {10.1016/j.mtchem.2024.101978}, author = {Yadav, Poonam and Das, Anoushka K. and Torris, Arun and Wasnik, Kundan and Koppisetti, Heramba Venkata Sai Rama Murthy and Pol, Vilas G. and Shelke, Vilas and Shelke, Manjusha} } @article {49629, title = {Yoga therapy attenuates the progression of diabetes - insights from proteomics and metabolomics analysis}, journal = {International Journal of Yoga}, volume = {17}, year = {2024}, month = {DEC}, pages = {163-174}, type = {Article}, abstract = {

Objective:\ Diabetes management remains challenging despite advancements in therapeutics, with many subjects developing complications. Yoga has been shown to aid diabetes management. This study investigates the impact of yoga therapy on diabetes progression, utilizing proteomics and metabolomics analyses to explore underlying molecular mechanisms.

Methodology:\ A 3-month longitudinal study involving healthy subjects with prediabetes and diabetes was conducted. Blood glucose, glycated hemoglobin (HbA1c), lipid profile, and malondialdehyde (MDA) levels were measured before and after the yoga intervention.

Results and conclusion:\ Healthy subjects showed no significant changes in blood glucose, lipid profile, HbA1c, or MDA levels. However, subjects with prediabetes and diabetes experienced positive changes, with decreases in HbA1c and MDA levels. Proteomics and metabolomics analyses provided insights into the molecular mechanisms by which yoga attenuates diabetes progression in subjects with prediabetes and diabetes. This study is a pioneering effort to understand the molecular basis of yoga{\textquoteright}s beneficial effects on diabetes management.

}, doi = {10.4103/ijoy.ijoy_178_24}, author = {Sonwane, Babasaheb P. and Raut, Pooja and Chitalkar, Jyotsna and Godbole, Smita and Sabnis, Shanta and Gupta, Jyoti and Santhakumari, B. and Deshpande, Mukund V. and Kulkarni, Mahesh J.} } @article {49786, title = {Accessing electron-deficient π-extended pyrenes via non-K-region fusion}, journal = {ORGANIC LETTERS}, volume = {27}, year = {2025}, month = {NOV }, pages = {12270-12275}, type = {Article}, abstract = {

This study presents a new class of pyrene derivatives featuring non-K-region fusion and electron-deficient pi-extension. By strategically introducing electron-withdrawing groups at the non-K positions, the optical and redox properties of these compounds were significantly altered. For the first time, we report a non-K-region fused acceptor pyrene with an extended pi-skeleton. The detailed characterizations revealed pronounced shifts in both absorption and emission spectra, accompanied by a significant lowering of the LUMO energy levels. Our results highlight non-K region-fused pyrenes as a promising building block for next-generation organic semiconductors with tunable electronic properties.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.5c03796}, author = {Dongre, Sangram D. and Kumar, Viksit and Kumar, Ravi and Babu, Sukumaran Santhosh} } @article {49582, title = {Air-stable double halide perovskite Cs2CuBiBr6: synthesis and memristor application}, journal = {Physical Chemistry Chemical Physics}, volume = {27}, year = {2025}, month = {FEB}, pages = {3150-3159}, type = {Article}, abstract = {

The excellent optical and electronic properties of halide perovskite materials have attracted researchers to investigate this particular field. However, the instability in ambient conditions and toxicity of materials like lead have given some setbacks to commercial use. To overcome these issues, perovskite-inspired materials with less toxic and excellent air-stable materials are being studied. Double perovskite materials are one of the perovskite materials. In this study, we have synthesized air-stable double perovskite Cs2CuBiBr6 using a solution process approach. The characterization of the material revealed that it has excellent crystallinity and high stability. The material shows excellent optical and electronic properties. It can be used in resistive memory devices. It shows stable current-voltage characteristics and analog switching. The ion migration through the active layer and accumulation of charge near the electrode region are the reasons behind the resistive switching.

}, issn = {1463-9076}, doi = {10.1039/d4cp04639k}, author = {Betal, Atanu and Chetia, Anupam and Saikia, Dibyajyoti and Karmakar, Krishnendu and Bera, Ganesh and Dambhare, Neha V. and Rath, Arup K. and Sahu, Satyajit} } @article {49772, title = {Anode|electrolyte|cathode interface engineering to develop a robust zinc metal hydrogel battery}, journal = {Journal of Materials Chemistry A}, volume = {13}, year = {2025}, month = {DEC }, pages = {41105-41121}, type = {Article}, abstract = {

The poor electrode-electrolyte interfaces in quasi-solid-state zinc metal batteries often hinder Zn2+ ion transport due to the poor compatibility of the gel electrolyte with the electrodes. This report proposes a dual-interface engineering strategy across the anode, cathode, and separator using a single hydrogel polymer electrolyte (HPE). The integration of vanadyl phosphate functionalized carbon nanotubes (VP/fCNT) into a commercial glass fiber (GF) separator, followed by a thin hydrogel coating and UV-light photopolymerization, resulted in a dual-interface engineered cathode-separator-electrolyte structure (VP/IC-EGF). To mitigate the dendritic growth, an artificial solid electrolyte interface was developed on Zn foil (AEI@Zn). The engineered GF (EGF) demonstrates a room-temperature conductivity of 6.5 mS cm-1 and a high electrochemical stability window of 2.4 V vs. Zn|Zn2+. The symmetric cell with AEI@Zn|EGF|AEI@Zn exhibits exceptional plating/stripping stability over 1400 h at a current density of 0.1 mA cm-2 and a capacity of 0.1 mAh cm-2. Moreover, the low-volume cell (AEI@Zn \& Vert;VP/IC-EGF), featuring the dual-interface-engineered cathode-separator-electrolyte, demonstrates outstanding cycling stability with over 3000 charge-discharge cycles at a current rate of 1.0 A g-1, retaining 98-99\% of its initial capacity and showing high coulombic efficiency. These findings underscore the significant impact of interface engineering on enhancing the performance of ZMBs.

}, issn = {2050-7488}, doi = {10.1039/d5ta04128g}, author = {Dilwale, Swati and Babu, Athira and Kanheerampockil, Fayis and Torris, Arun and Puthiyaveetil, Priyanka Pandinhare and Bhat, Suresh and Kurungot, Sreekumar} } @article {49904, title = {Atomically dispersed Co-Cu dual active sites in carbon networks as an efficient oxygen electrocatalyst}, journal = {Dalton Transactions}, volume = {54}, year = {2025}, month = {OCT }, pages = {15500-15511}, type = {Article}, abstract = {

Single-atom metal-based electrocatalysts offer extended advantages by maximizing the utilization of active sites but often suffer from complex synthesis processes and low-density metal loading. The present work showcases a strategic design for integrating highly dense cobalt-copper dual atoms dispersed on a nitrogen-rich porous carbon network (CoCu-NGC). The atomically dispersed CoCu-NGC outperforms the ORR and OER activities of their single metallic counterparts (Co-NGC or Cu-NGC) and conventional noble-metal based electrocatalysts (Pt/C and RuO2). Benefitting from the electronic modulation in the dual SAC system, the CoCu-NGC displayed outstanding bifunctional performance with low Delta E values of 0.69 V in freshwater and 0.78 V in seawater, highlighting it as a potential alternative to the costly state-of-art electrocatalysts.

}, issn = {1477-9226}, doi = {10.1039/d5dt01807b}, author = {Sinha, Nibedita and Das, Chandni and Pal, Santanu and Urkude, Rajashri R. and Ahmed, Tanbir and Ghosh, Biplab and Roy, Poulomi} } @article {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 {49832, title = {Base mediated approach for the synthesis of deoxybenzoins using γ-aryl-β-ketoesters and benzoyl chlorides}, journal = {RSC Advances}, volume = {15}, year = {2025}, month = {SEP }, pages = {32424-32430}, type = {Article}, abstract = {

This study introduces a one-pot, transition metal-free strategy for synthesizing deoxybenzoins, overcoming the challenges of conventional methods. The reaction involves dual acylation of gamma-aryl beta-keto esters using K2CO3 in dioxane at 90 degrees C, followed by a concerted transformation to form deoxybenzoin. The protocol operates under mild conditions, tolerates a broad range of substrates, and produces minimal by-products, making it a practical, scalable alternative for accessing pharmaceutically relevant deoxybenzoins.

}, doi = {10.1039/d5ra05242d}, author = {Choudhary, Shailendra Singh and Darole, Ratanamala S. and Krishna, Gamidi Rama and Senthilkumar, Beeran} } @article {49545, title = {Bifunctional nanoelectrocatalyst: semi-amorphous cobalt tungstate-based nanocomposites surpassing amorphous and crystalline counterparts}, journal = {ACS Applied Materials \& Interfaces}, volume = {17}, year = {2025}, month = {FEB}, pages = {15319-15332}, type = {Article}, abstract = {

Electrocatalytic water splitting to hydrogen and oxygen is considered to be one of the significant routes for future renewable energy conversion. Therefore, the development of unique, efficient, and cost-effective bifunctional electrocatalysts, which can perform both hydrogen evolution reaction (HER) and oxygen evolution reaction (OER), is critical for the accessible utilization of renewable energy. The increasing overall efficiency of the water-splitting reaction is pivotal for sustainable energy conversion and hydrogen production. Herein, we present a facile solution-based synthesis route to control the crystallinity of the cobalt tungstate (CoWO4) nanomaterials to amorphous, semiamorphous, and crystalline phases and further exploit these nanomaterials as bifunctional electrocatalysts for the HER, OER, and overall electrochemical water splitting reaction. Notably, the semiamorphous cobalt tungstate nanomaterials show a remarkable surface area of approximately 150 m(2)/g, the highest reported for CoWO4-based materials, and demonstrated superior activity for both the OER and HER and outstanding stability over the amorphous and crystalline counterparts. Notably, the SemiAmp||SemiAmp electrolyzer demonstrated a better performance for overall water splitting than the commercial RuO2||Pt/C electrolyzer.

}, keywords = {amorphous, CoWO4, electrocatalyst, HER, Nanocomposite, OER, water splitting}, issn = {1944-8244}, doi = {10.1021/acsami.4c19097}, author = {Dev, Sahil and Nagappan, Sreenivasan and Kundu, Subrata and Mukherjee, Shatabdi Porel} } @article {49769, title = {Binderless low silica X zeolite for methane separation from binary CO2/CH4 biogas stream: A comprehensive experimental and computational study}, journal = {Journal of Industrial and Engineering Chemistry}, volume = {149}, year = {2025}, month = {SEP }, pages = {705-719}, type = {Article}, abstract = {

This study presents the synthesis of binderless Na-LSX (B-Na-LSX) and binderless NaK-LSX (B-NaK-LSX). XRD, SEM, EDS, and N-2 physisorption were used for characterization of samples. Computational modelling of prepared sorbent was performed for the fundamental understanding of zeolite topology and adsorption behaviour. The breakthrough experiments are used to evaluate the adsorption capacities on CO2/CH4 (40/60 vol\%) binary biogas stream. The results were compared with commercial Na-LSX (C-Na-LSX). The breakthrough adsorption capacity of B-Na-LSX was 3.08 mmol g(-1) and 0.29 mmol g(-1) of CO2 and CH4, respectively, at 300 K and 1 bar. CO2 sorption capacity of B-Na-LSX was similar to 11 \% and similar to 17 \% higher than B-NaK-LSX (2.77 mmol g(-1)) and C-Na-LSX (2.56 mmol g(-1)), respectively. DFT study reveals that the higher adsorption of CO2 over CH4 was attributed to higher charge transfer from CO2 to zeolite framework. Dual-bed six-step Pressure Swing Adsorption (PSA) was performed on B-Na-LSX at 6 bar. similar to 232 cycles were run with above 98 \% of CH4 purity and similar to 74 \% of recovery. The life-cycle test of sorbent was studied. It was implied that the designed sorbent is effective to produce the high purity of CH4 and can be utilized for a longer period for CH4 production.

}, keywords = {Binderless, Biogas, LSX zeolite, methane, PSA, Separation}, issn = {1226-086X}, doi = {10.1016/j.jiec.2025.02.031}, author = {Yadav, Tushar R. and Shrotri, Aadesh R. and Kate, Pranjali N. and Devasia, George and Niphadkar, Prashant S. and Mali, Nilesh A. and Krishnamurty, Sailaja and Bokade, Vijay V. and Nandanwar, Sachin U.} } @article {49857, title = {Boosting the CO2 reduction activity of Cu double-atom catalysts through coordination environment engineering}, journal = {Sustainable Energy \& Fuels}, volume = {9}, year = {2025}, month = {OCT}, type = {Article}, abstract = {

Double-atom catalysts (DACs) offer a reasonable and scalable route towards carbon neutrality owing to their efficient catalytic features. However, the challenges associated with the flexibility of their coordination structure usually restrict their full potential as efficient catalysts. Herein, we comprehensively examined the impact of coordination environment regulation on the CO2R activity of Cu2-DACs supported on C, N, or B co-doped graphene using ab initio simulations. We highlighted the marked role of the local coordination sphere of Cu2-DACs in modulating their structural stability and charge transfer characteristics, thereby regulating the adsorption of CO2 and various reaction characteristics. Notably, boron- and carbon-coordinated Cu2 centres (Cu2-BxCy) resulted in remarkably strong CO2 adsorption (-0.65 to -2.31 eV), attributed to their amplified electronic interactions with the CO2 molecule. The weak CO2 binding observed on the carbon-nitrogen- and nitrogen-boron-coordinated Cu2 centres (Cu2-NxCy and Cu2-NxBy) further highlighted the role of the coordination environment in facilitating the versatile binding modes of the key reaction species. The varying CO2 interactions in these systems were further comprehended and supported by a multilevel descriptor () combining both geometric and electronic parameters. This descriptor closely mirrored the DFT results, thereby accentuating its effectiveness as a predictive tool to perfectly model the CO2 interactions on these catalysts. Moreover, the dynamic behaviour in the adsorption modes led to partial breakdown of the conventional linear scaling relations between the key CO2 reduction intermediates (*COOH, *CO, and *HCO). Among the numerous types of investigated electrocatalysts, Cu2-B5C1 emerged as a highly active and selective catalyst for methanol production, with a remarkably low limiting potential of -0.54 V, surpassing the performance of several reported Cu-based systems. Besides, our findings underscored the often-overlooked yet crucial role of explicit solvation, which significantly altered both the potential-determining step and product selectivity. These outcomes emphasized the necessity of including solvation effects in realistic electrochemical modelling. Collectively, this study provides a critical mechanistic insight into better understanding the coordination effect on the CO2R and a robust design strategy for next-generation Cu-based DACs, guiding the development of highly efficient and selective catalysts for CO2 electroreduction.

}, issn = {2398-4902}, doi = {10.1039/d5se01004g}, author = {Amin, Seerat and Krishnamurty, Sailaja and Dar, Manzoor Ahmad} } @article {49796, title = {A carbon nanotube wrapped Na3V2(PO4)2F3 cathode with a dual cation electrolyte: enhancing high-voltage stability and cyclability in zinc-ion batteries}, journal = {Nanoscale}, volume = {17}, year = {2025}, month = {NOV }, pages = {25631-25642}, type = {Article}, abstract = {

Aqueous zinc-ion batteries (ZIBs) offer several compelling advantages as a safer and sustainable energy storage system. Polyanion-based cathodes, characterized by their comparatively higher voltage and structural stability, are promising for ZIBs. However, challenges hinder their practical applications, such as inferior rate capability and limited cycling stability. In this study, we constructed a carbon nanotube wrapped Na3V2(PO4)2F3 (NVPF-CNT) cathode integrated with a highly concentrated dual cation electrolyte (DCE) to enhance the electrochemical performance of ZIBs by enabling a synergistic Na+ and Zn2+ co-insertion mechanism. The DCE effectively regulates the solvation structure, stabilizes the solid electrolyte interface (SEI), minimizes free water molecules, thereby widening the electrochemical window and reducing the side reactions, and inhibits cathode dissolution. Consequently, the CNT-wrapped NVPF cathode exhibits an initial reversible capacity of 131.3 mAh g-1 at 0.05 A g-1, and retains 84\% of its capacity over 500 cycles at 1 A g-1, with a nominal voltage of similar to 1.5 V. This approach offers valuable insights into the potential of CNT-wrapped NVPF cathodes in combination with a DCE while providing a comprehensive framework for advancing high-performance ZIBs.

}, issn = {2040-3364}, doi = {10.1039/d5nr03371c}, author = {Pandey, Priyanshi and Shivade, Rajkiran and Deshmukh, Ashvini and Shelke, Manjusha} } @article {49499, title = {Ce[N(SiMe3)2]3(THF)3-catal yzed hydroboration of CO2, esters and epoxides with pinacolborane: selective synthesis of methanol in multigram scale}, journal = {Chemistry-A European Journal}, volume = {31}, year = {2025}, month = {MAR}, type = {Article}, abstract = {

In this work, we have reduced CO2 with HBpin to afford borylated methanol product selectively in similar to 99 \% yield using Ce[N(SiMe3)(2)](3)(THF)(3) as a catalyst. This led to multigram scale isolation of methanol obtained from CO2 reduction via the hydrolysis of borylated methanol, this establishes the potential of Ce[N(SiMe3)(2)](3)(THF)(3) as an efficient homogeneous catalyst for the bulk scale methanol synthesis. A practical application of this catalytic system was also shown by reducing CO2-containing motorbike exhaust efficiently and selectively. Further, C-O bond activation of esters and epoxides using HBpin and 1-2 mol \% of Ce[N(SiMe3)(2)](3)(THF)(3) at 60 degrees C afforded the borylated alcohols in good to excellent yields, which can easily be hydrolysed to the eco-friendly corresponding alcohol. The stoichiometric experiments were performed to prove the formation of in-situ generated cerium hydride [Ce]-H as an active catalyst.

}, keywords = {Cerium, CO2 reduction, Epoxide, Ester, Hydroboration, Lanthanides}, issn = {0947-6539}, doi = {10.1002/chem.202403449}, author = {Hossain, Md Jabed and Shah, Brij Kumar and Dash, Soumya Ranjan and Vanka, Kumar and Khan, Shabana} } @article {49707, title = {Characterization of a novel Tequatrovirus phage from pristine stretch of the Ganges River, India, in reducing bacterial load from sewage water}, journal = {Journal of Environmental Chemical Engineering}, volume = {13}, year = {2025}, month = {JUN}, pages = {116315}, type = {Article}, abstract = {

Effective treatment of wastewater (WW) and its reuse is necessary to meet certain sustainable development goals and a circular economy. Escherichia coli is one of the primary contaminants in the WW, and its extra-intestinal occurrence poses a considerable threat under one health. This study is the first report of a novel broadspectrum phage (\& fcy;ERS-1) isolated from a pristine stretch of the Ganges River in the biocontrol of E. coli, resistant to 3rd-and 4th generation cephalosporins and aztreonam. This is the first report of a phage from the Tequatrovirus genus to infect P. aeruginosa. The \& fcy;ERS-1 could reduce the abundance of E. coli cells by 8.22 log10 CFU/mL \<= 24 hrs. Additionally, phi ERS-1 disrupted the biofilm of E. coli with a reduction of 3.88 log10 CFU/mL. Further, phi ERS-1 could inhibit biofilm by multiple strains of E. coli (ATCC 8739, 25922, 43888) and multiple generaincluding E. coli ATCC 8739, Shigella boydii ATCC 9207, P. aeruginosa (ATCC 9027). The phage phi ERS-1 reduced bacterial counts in raw WW by 2 log10 CFU/mL and 4 log10 CFU/mL reduction in coliform-enriched WW in \<= 24 hours. Overall, this study suggests that phi ERS-1 could be used as an effective alternative to be combined with other treatments for improving the quality of WW disposal and environmental health by reducing the bacterial load.

}, keywords = {Antibiofouling, Biofilm, Coliform, Ganges, Green approach, Phages, wastewater}, issn = {2213-2929}, doi = {10.1016/j.jece.2025.116315}, author = {Samson, Rachel and Pawar, Ameya and Khairnar, Krishna and Dharne, Mahesh} } @article {49548, title = {Characterization of novel phages KPAФ1, KP149Ф1, and KP149Ф2 for lytic efficiency against clinical MDR Klebsiella pneumoniae infections}, journal = {Microbial Pathogenesis}, volume = {202}, year = {2025}, month = {MAY}, pages = {107440}, type = {Article}, abstract = {

Phage therapy offers a promising approach to the increasing antimicrobial resistance of Klebsiella pneumoniae. This study highlights three novel lytic bacteriophages-KPAc1, KP149c1, and KP149c2-targeting multidrugresistant (MDR) K. pneumoniae. These phages belong to the Myoviridae and Podoviridae family and demonstrate their efficacy and stability across a wide range of temperatures (up to 60 degrees C) and pH levels (pH 4 to 11). Genomic analysis reveals that they are free from virulence, toxicity, and antimicrobial resistance genes, making them promising candidates for therapeutic use. Among these phages, KPAc1 showed the highest lytic activity with a 26.15\% lysis against MDR K. pneumoniae isolates. Additionally, a phage cocktail comprising all three phages improved lytic efficacy to 32.30\%. This study also examined the antimicrobial resistance profiles of K. pneumoniae isolates, emphasizing the critical need for alternative treatments. By effectively targeting resistant strains, these phages offer a potential candidacy to be used as a viable alternative or a complementary antimicrobial agent to traditional antibiotics, opening up the possibility for advanced phage-based therapies. The promising results from this study pave the way for developing new treatments that could significantly improve patient care and outcomes from the growing issue of resistant bacterial infections.

}, keywords = {Antimicrobial resistance, Bacteriophage, MDR-Klebsiella pneumoniae, Phage cocktail, Phage therapy}, issn = {0882-4010}, doi = {10.1016/j.micpath.2025.107440}, author = {Dandekar, Shraddha S. and Thanikkal, Sinta and Londhe, Arti and Bhutada, Pankhudi and Saha, Ujjayni and Pawar, Shubhankar and Samson, Rachel and Dharne, Mahesh and Saroj, Sunil D. and Koratkar, Santosh} } @article {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 {49861, title = {Characterization of wound-induced electrical signals and reactive oxygen species in chickpea (Cicer arietinum)}, journal = {Plant Signaling \& Behavior}, volume = {20}, year = {2025}, month = {DEC }, pages = {2567930}, type = {Article}, abstract = {

Mechanical damage to plants triggers both localized and systemic responses that activate plant defense mechanisms. Early signaling events include calcium (Ca2+) flux, reactive oxygen species (ROS), and electrical alterations. These signals coordinate downstream defense pathways, enabling plant acclimation to biotic stress. Electrical signaling following wounding/herbivory has been extensively studied in Arabidopsis; however, its dynamics in crop plants such as chickpea (Cicer arietinum) are not well understood. The pattern of the SWP in chickpea was similar to that in Arabidopsis but with a longer repolarization phase and was detectable only within the leaflets. The signals generated by damaging the leaflet were more pronounced, propagated bidirectionally and varied between herbivore-susceptible and tolerant chickpea varieties. The SWP duration is correlated with increased expression of AOS and OPR3 transcripts, which are markers of the stress hormone JA. Additionally, ROS production in wounded chickpea leaflets is associated with increased expression of ROS-generating genes. The use of DPI, an inhibitor of NADPH oxidase, which is responsible for ROS production, inhibited SWP, suggesting the crucial role of ROS in wound-induced SWP. This study provides insight into the interplay between wound-induced electrical signaling and ROS production in chickpea and proposes the measurement of electrical signals as a rapid, noninvasive approach for screening crop cultivars for pest susceptibility and tolerance.

}, keywords = {Chickpea, Electrical signal, Plant defense, ROS, wound}, issn = {1559-2316}, doi = {10.1080/15592324.2025.2567930}, author = {Deshpande, Shweta and Pawar, Shivani and Kumari, Archana} } @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 {49831, title = {Chitosan-derived carbon supported ruthenium catalyst for efficient hydrogenation of levulinic acid to γ-valerolactone}, journal = {Sustainable Energy \& Fuels}, volume = {9}, year = {2025}, month = {OCT}, pages = {5921-5930}, type = {Article}, abstract = {

The transition from fossil fuels to sustainable energy and chemical production relies heavily on efficient biomass valorization. Levulinic acid (LA), a key platform chemical from lignocellulosic biomass, serves as a versatile precursor for valuable chemicals like gamma-valerolactone (GVL), a promising green solvent, fuel additive, and polymer precursor. While ruthenium-based catalysts are effective for LA hydrogenation, conventional systems like Ru/C often suffer from metal leaching and deactivation due to weak metal-support interactions. Current approaches to improve stability, such as using nitrogen-doped carbon supports, involve complex synthesis and synthetic nitrogen precursors. Addressing these limitations, we present a facile and sustainable strategy for synthesizing a robust ruthenium catalyst by directly pyrolyzing marine biomass-derived chitosan to form a self-nitrogen-doped carbon support. This catalyst exhibited superior stability and excellent recyclability in the aqueous-phase hydrogenation of LA to GVL, surpassing conventional Ru/C while maintaining activity comparable to that of leading Ru catalysts supported on N-doped carbon. Unlike other N-doped carbon supports, our method avoids synthetic N-dopants and tedious procedures, making it inherently more sustainable. Detailed characterization via XPS and H2-TPR revealed strong metal-support interactions, facilitated by intrinsic nitrogen functionalities, effectively stabilizing the ruthenium species. This study also identifies the critical role of graphitic and pyridinic nitrogen species in controlling catalytic activity and elucidates the importance of optimizing nitrogen species and content in tailoring chitosan-derived supports. The proposed mechanism describes how Ru-N centers activate hydrogen and LA, with basic nitrogen sites aiding the dehydration step to GVL. Overall, this work features the potential of chitosan derived carbon as a sustainable and tunable support for efficient biomass hydrogenation catalysts and offers fundamental insights into the role of nitrogen doping in tailoring catalytic performance.

}, issn = {2398-4902}, doi = {10.1039/d5se00988j}, author = {Korampattu, Lavanya and Dhepe, Paresh L.} } @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 {49770, title = {CoBr2-catalyzed straightforward synthesis of quinoxalines via dehydrogenative coupling strategy}, journal = {Chemistry-an Asian Journal}, volume = {20}, year = {2025}, month = {DEC}, type = {Article}, abstract = {

Establishing a benign and straightforward protocol for synthesizing biorelevant and synthetically valuable quinoxaline is very important. Herein, we report a simple and efficient protocol for the sustainable synthesis of diverse quinoxaline derivatives catalyzed by cobalt salt. The reaction proceeds through the dehydrogenative coupling of alkyl and aryl ethane 1,2-diols with aryl diamines in the presence of a catalytic CoBr2/K2CO3. The usage of the greener solvent 2-MeTHF and the release of H2 and H2O as the sole byproducts make the process advantageous. The protocol led to the synthesis of diverse quinoxalines bearing synthetically useful functionalities, such as fluoro, chloro, bromo, cyano, trifluoromethyl, and ether. The reaction is presumed to proceed via the dehydrogenative-condensation pathway involving a cobalt-hydride intermediate.

}, keywords = {cobalt, dehydrogenative coupling, heterocycles, ligand-free process, Quinoxaline}, issn = {1861-4728}, doi = {10.1002/asia.202500916}, author = {Dubey, Shivansh and Punji, Benudhar} } @article {49887, title = {Cocrystals of the green fluorescence protein chromophore analogue: coformer-induced switch between AIE and ACQ}, journal = {Crystal Growth \& Design}, volume = {25}, year = {2025}, month = {SEP}, pages = {7473-7488}, type = {Article}, abstract = {

Fluorescent organic solids hold great potential for advancing photonics applications. However, tuning their solid-state photoluminescent emissions remains a significant challenge. In this study, we report the synthesis and characterization of five cocrystals (two cocrystal polymorphs) derived from a pristine imidazolinone derivative (A) and the various coformer molecules, namely 1,2,4,5-tetrafluoro-3,6-diiodobenzene, 1,2,4,5-tetrafluoro-3,6-dibromobenzene, perfluoronaphthalene, and 3,4,5-trifluorobenzoic acid. The structural and optical properties of these cocrystals were examined by using single-crystal X-ray diffraction, absorption spectroscopy, photoluminescence spectroscopy, and photoluminescence decay spectroscopy. Cocrystals I, II, and III are isomorphous pairs and exhibit three-dimensional isostructurality, where the coformer molecules bridge adjacent helices of compound A, leading to aggregation-induced emission. In contrast, the cocrystal polymorphs IVA and IVB developed using coformer 3,4,5-trifluorobenzoic acid form two-dimensional sheet-like structures mediated by pi-stacking interactions between the coformers and molecule A, with interplanar distances ranging from 3.2 to 3.5 \& Aring;. These stronger pi-pi interactions promote nonradiative decay pathways, resulting in reduced or quenched fluorescence and an aggregation-caused quenching effect. To gain further insights into their electronic properties, theoretical analysis including frontier molecular orbitals, time-dependent density functional theory, Hirshfeld surface analysis, molecular electrostatic potential, and noncovalent interaction plots were performed.

}, issn = {1528-7483}, doi = {10.1021/acs.cgd.5c00559}, author = {Suresh, Sneha and Dabke, Niteen B. and Pandya, Rinu and Vanka, Kumar and Dutta, Madhusudan and Gonnade, Rajesh G.} } @article {49771, title = {Coke management: unveiling the role of Ce substitution in Gd2Zr1.8Ni0.2O7-δ catalyst for dry reforming of methane}, journal = {Energy \& Fuels}, volume = {39}, year = {2025}, month = {NOV }, pages = {22356-22368}, type = {Article}, abstract = {

The redox characteristics of cerium have become crucial elements in the carbon gasification process during methane dry reforming. This work examines the effect of cerium substitution in the Gd2Zr1.8Ni0.2O7-delta catalyst during methane dry reforming, employing a range of Ce-substituted Gd2Zr1.8-x Ni0.2Ce x O7-delta (x = 0.1, 0.2, 0.5, 0.75) catalysts synthesized via the citrate gel method. The materials crystallized in a fluorite structure, as verified by X-ray diffraction analysis and Raman spectroscopy. Enhanced reducibility of the substituted catalysts was assessed through H2-temperature-programmed reduction analysis. CO2 and O2 desorption studies along with X-ray photoelectron spectroscopy validated the enhanced basicity and generation of active oxygen and hydroxyl species. The enhanced activity and coke gasification in Gd2Zr1.6Ni0.2Ce0.2O7-delta catalyst are attributed to surface hydroxyl species, and prominent intermediate carbonate and bicarbonate species were further verified by in situ infrared spectroscopy. The high basicity of the Gd2Zr1.6Ni0.2Ce0.2O7-delta catalyst and high concentrations of oxygen vacancies (similar to 66.4\%) enhances CO2 adsorption and desorption, resulting in continuous CO2 activation, leading to less carbon formation and superior activity of the catalyst. The Gd2Zr1.6Ni0.2Ce0.2O7-delta catalyst exhibits the highest CH4 and CO2 conversion rates, at 85\% and 93.5\%, respectively, and remains stable for 100 h. Postreaction analysis of Gd2Zr1.6Ni0.2Ce0.2O7-delta confirms structure stability and less carbon formation compared to other substituted catalysts in dry reforming of methane. This study demonstrates that the moderate concentration of Ce in the Gd2Zr1.6Ni0.2Ce0.2O7-delta catalyst exhibits balanced activity and coke gasification capacity in the dry reforming of methane for a longer duration.

}, issn = {0887-0624}, doi = {10.1021/acs.energyfuels.5c04019}, author = {Ghodke, Seema R. and Mule, Harshada M. and Bhatkar, Akash and Devi, R. Nandini} } @article {49936, title = {Comprehensive tissue specific analysis of antioxidant potential and metabolite profiling of a vulnerable therapeutic herb Ceropegia sahyadrica}, journal = {3 Biotech}, volume = {15}, year = {2025}, month = {NOV }, pages = {434}, type = {Article}, abstract = {

This study investigated tissue-culture of an endangered medicinal herb, Ceropegia sahyadrica, along with tissue-specific variation in antioxidant activity and GC-MS based phytochemical profiling using wild and in vitro explants. In vitro leaf explants exhibited callus induction rate of 100\% in Murashige and Skoog media containing 6-benzylaminopurine (4 mu M) and 2,4-dichlorophenoxyacetic acid (2 mu M) with 5\% sucrose, whereas in vitro root explant achieved 66.7\% with the combination of 2 mu M 6-benzylaminopurine and 1 mu M 2,4-dichlorophenoxyacetic acid in Murashige and Skoog medium. Microtuberization was most pronounced in in vitro root explants with a maximum response of 73.3\% in 1 mu M indole-3-acetic acid, 2 mu M 6-benzylaminopurine and 5\% sucrose. Scanning electron microscopy imaging revealed distinct cellular organization among tissues. Further, antioxidant potential assessed through 1,1-diphenyl-2-picrylhydrazyl radical scavenging assays and estimated total phenolic content showed metabolic variation and commonality between in vitro and wild tissues. Additionally, phytochemical profiling by gas chromatography-mass spectrometry identified 201 compounds, including alkaloids, fatty acid methyl esters, flavonoids, phytosterols and other bioactive molecules with alterations in metabolite profiles between in vitro and wild tissues. These findings demonstrated that explant origin and culture condition might significantly influence metabolic responses for conservation and ensures a reliable source of bioactive compound.

}, keywords = {Ceropegia- Conservation, Endemic medicinal herb, GC-MS, Metabolite profiling, Tuberization}, issn = {2190-572X}, doi = {10.1007/s13205-025-04582-1}, author = {Pandey, Meena and Dholakia, Bhushan B. and Saraf, Purva S. and Punekar, Sachin A. and Giri, Ashok P.} } @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 {49925, title = {Critical advances in biofabrication and biomaterial strategies in tracheal tissue engineering: A comprehensive overview}, journal = {Advances in Colloid and Interface Science}, volume = {345}, year = {2025}, month = {NOV}, pages = {103604}, type = {Article}, abstract = {

The trachea is a vital respiratory organ that connects the larynx to the lungs and performs crucial functions. Various conditions can cause severe and often irreversible damage to individuals trachea of all age groups. Tracheal regeneration remains a major challenge in respiratory medicine, requiring a innovative solutions to address various underlying causes. Existing clinical interventions often have significant limitations and associated complications. Tissue engineering has potential, but its effectiveness has been limited due to challenges such as poor durability and insufficient revascularization. This review aims to provide a comprehensive exploration of the landscape of tracheal regeneration, shedding light on the path towards advancements in addressing extensive tracheal defects. It follows a structured approach, introducing various surgical procedures, along with their associated complications. Subsequently, it delves into the myriad biomaterials investigated in the realm of tracheal tissue engineering, emphasizing the significance of design considerations in scaffold fabrication. The review then navigates through various platforms utilized in tracheal tissue engineering and recent innovative approaches employed in this domain. Additionally, it provides insights into the clinical translation of tissueengineered trachea, highlighting recent advancements and challenges encountered in real-world applications. Finally, it discusses the significant challenges and offers a perspective outlook on the future of tracheal tissue engineering. Addressing current limitations and envisioning novel strategies, the review contributes to the ongoing dialogue and progression in this critical field of regenerative medicine.

}, keywords = {3D printing, 4D printing, Additive manufacturing, Biomaterials, Cell sheet engineering, Organoid printing, Tracheal tissue engineering}, issn = {0001-8686}, doi = {10.1016/j.cis.2025.103604}, author = {Naik, Sonali S. and Dutta, Naba K. and Nair, Kiran Sukumaran and Choudhury, Namita Roy} } @article {49870, title = {Deciphering the comprehensive microbiome of glacier-fed Ganges and functional aspects: implications for one health}, journal = {Microbiology Spectrum}, volume = {13}, year = {2025}, month = {AUG}, type = {Article}, abstract = {

Glacier-fed rivers are significant ecological components of the river catchments, yet their microbial diversity and the associated antimicrobial potential remain underexplored. The Ganges is a glacier-fed river of immense cultural, religious, and ecological significance that supports over 400 million people downstream, providing essential water for agriculture, industry, and daily use. Despite its importance, the microbial community composition and antimicrobial potential, across its relatively pristine origin, remain largely underexplored. One possible explanation for this could be the lower microbial load in the upstream glacier-fed region, which likely results in a reduced DNA yield, insufficient for whole-metagenome sequencing, in contrast to the more biologically diverse and nutrient-rich lower reaches. In this study, we developed an efficient DNA extraction and amplification method using low-input DNA to sequence the microbiome from sediments of the glacier-fed Ganges River in pre-monsoon and post-monsoon over 2 years. Taxonomic and functional diversity of bacterial and viral (phage) communities were analyzed, together with the seasonal variations in their composition. Significant differences in microbial communities were observed in response to seasonal shifts (P \< 0.05). During the dry season, Proteobacteria and Actinobacteria were predominant, while Bacteroidetes and Firmicutes were abundant post-monsoon (P \< 0.05). The microbiome harbors potential for the biosynthesis of streptomycin, phenylpropanoid, penicillin, and cephalosporins. Bacteriophages from Podoviridae, Myoviridae, and Siphoviridae showed lytic potential against putrefying and pathogenic bacteria. This first comprehensive study on the glacier-fed Ganges River highlights significant seasonal shifts in microbial diversity. The initial insights into the functional profile of the bacterial and phage diversity offer opportunities to explore various natural compounds and enzymes to tackle antimicrobial resistance under the one-health canopy.

}, keywords = {Bacteriophages, glacier-fed-Ganges, Microbiome, Secondary metabolites, special properties}, doi = {10.1128/spectrum.01720-24}, author = {Samson, Rachel and Kumar, Shubham and Dastager, Syed and Khairnar, Krishna and Dharne, Mahesh} } @article {49774, title = {Decoding the relationship between alzheimer{\textquoteright}s disease and type-2 diabetes via the protein aggregation prism}, journal = {ACS Chemical Neuroscience}, volume = {16}, year = {2025}, month = {AUG }, pages = {3003-3019}, type = {Article}, abstract = {

Alzheimer{\textquoteright}s disease (AD) and type-2 diabetes (T2D) are two fatal human diseases and have been linked to the aberrant aggregation of two distinct peptides, amyloid-beta (A beta) and human islet amyloid polypeptide (hIAPP), respectively. These two peptide aggregates, even with distal deposition sites (brain and pancreas), act as mutual beneficiaries. We here unveiled the crosstalk in a self-consistent fashion using atomistic simulations by comparing the kinetics and thermodynamics of self- and cross-aggregations of A beta(42) and hIAPP and their modulations by preformed fibrillar templates. Templates (specifically hIAPP) generally accelerate aggregation, alter the relative order of aggregation rates (cross-aggregation \> A beta self-aggregation \> hIAPP self-aggregation for nontemplated and hIAPP self-aggregation \> cross-aggregation \> A beta self-aggregation for templated), and flip the mutual impact (hIAPP aggravates A beta aggregation in nontemplated and the reverse in templated). Higher instances of breaking larger aggregates and longer residence times of smaller aggregates decelerate aggregation, whereas interpeptide electrostatics (universal) and hydrogen bonds (templated) assist it. However, the equilibrium aggregability pattern contradicts kinetic rank-ordering, as A beta displays a higher aggregability than hIAPP, templates increase aggregability for both peptides, and A beta{\textquoteright}s self-aggregability supersedes cross-aggregability, which further surpasses hIAPP{\textquoteright}s self-aggregability. The equilibrium ensembles encompass polymorphic, nonfibrillar oligomers having substantially reduced alpha-helicity and slight beta-propensity, with both parallel and antiparallel interpeptide orientations, primarily stabilized by electrostatics. A higher equilibrium aggregability means a greater helix-breaking capacity, a bias toward parallel orientation, and a lesser structural polymorphism. Water expulsion from peptide surroundings and distortion of water tetrahedrality prove that aggregation follows the liquid-liquid phase separation (LLPS) model.

}, keywords = {amylin, Amyloid-beta, liquid-liquidphase separation, Oligomer, self vs cross-aggregation, unseeded vs seeded aggregation}, issn = {1948-7193}, doi = {10.1021/acschemneuro.5c00357}, author = {Tammara, Vaishnavi and Das, Atanu} } @article {49611, title = {Design and synthesis of PtPdNiCoMn high-entropy alloy electrocatalyst for enhanced alkaline hydrogen evolution reaction: a theoretically supported predictive design approach}, journal = {Advanced Functional Materials}, volume = {35}, year = {2025}, month = {APR}, type = {Article}, abstract = {

Electrocatalytic hydrogen generation requires a cutting-edge, multifunctional electrocatalyst with abundant active sites to drive multielectron transfer reactions. High entropy alloys (HEA) are complex five or more-element alloy systems with high configurational entropy which makes them unique materials for next-generation electrocatalysts. Here, in this work, based on new screening guidelines for catalyst selections that combine density-functional theory calculated Gibbs formation-enthalpy with bond length and electronegativity variance, a novel HEA electrocatalyst consisting of five elements, namely, Pt, Pd, Ni, Co, and Mn is designed. By simple room temperature electrodeposition, the designed catalyst is prepared and its hydrogen evolution reaction (HER) is explored and validated through experimental and theoretical approaches. The HEA demonstrated a superior HER activity with an overpotential of 22.6 mV at -10 mA cm-2 which outperforms Pt/C commercial catalyst. No evident degradation of the material is detected even after 100 hours of continuous operation under high current density. Moreover, the HEA has shown exceptional performance in harsh electrolyte conditions such as in simulated seawater and actual seawater. Remarkably, the density-functional theory calculated small Gibbs formation-enthalpy (approximate to 0 eV) compared to Pt/C places the new HEA near the apex of Trasatti{\textquoteright}s model of Volcano plot, which is also suggestive of superior HER activity.

}, keywords = {DFT, electrocatalysts, Electronic Structure, HER, high-entropy alloys}, issn = {1616-301X}, doi = {10.1002/adfm.202418644}, author = {Chandran, M. Athira and Dutta, Pritha and Singh, Prashant and Singh, Ashutosh K. and Prasad, Bhagavatula L. V.} } @article {49945, title = {Design, fabrication and comprehensive testing of biodegradable 3D printable hybrid polymer airway splints}, journal = {Journal of Materials Chemistry B}, volume = {13}, year = {2025}, month = {AUG }, pages = {10249-10266}, type = {Article}, abstract = {

The trachea plays a critical role in respiration and airway protection but is susceptible to damage from pathological conditions such as stenosis, fistula, obstruction, and malacia. While existing treatment options are useful, they often have limitations, driving the need for innovative alternatives. This study introduces a novel approach using 3D printing technology to create hybrid degradable tracheal splints made of pectin-g-polycaprolactone (pec-g-PCL). We synthesized and characterized various compositions of pec-g-PCL to assess their physicochemical properties and tested their suitability for 3D printing. The resulting materials demonstrated the potential for use as tracheal splints. Using CAD software, we created two distinct designs, which were then fabricated according to those specifications. Micro-computed tomography (micro-CT) imaging revealed splint porosities ranging from 80\% to 90\%, highlighting their intricate internal microarchitecture. Design verification was conducted through numerical simulations, based on finite element modeling (FEM), to evaluate mechanical properties and computational fluid dynamics (CFD) for assessing the airflow dynamics of the fabricated tracheal splints. Degradation studies indicated that the 3D-printed scaffolds exhibited approximately 30\% degradation over a period of 35 days. In vitro, biocompatibility assessments confirmed the scaffold{\textquoteright}s compatibility with biological systems. These findings demonstrate the potential of pec-g-PCL-based tracheal splints as a promising solution to overcome limitations in current treatments. This research paves the way for advanced biomaterials that could revolutionize patient care by offering more effective solutions for managing tracheal disorders.

}, issn = {2050-750X}, doi = {10.1039/d5tb00891c}, author = {Naik, Sonali S. and Vongsvivut, Jitraporn and Dekiwadia, Chaitali and Abraham, Amanda N. and Dutta, Naba K. and Choudhury, Namita Roy and Nair, Kiran Sukumaran} } @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 {49462, title = {Development of new N -{4-[(7-Chloro-5-methylpyrrolo[2,1-f ] [1,2,4]triazin-4-yl)oxy]-3-fluorophenyl}benzenesulfonamide analogues: exploring anticancer potential through MerTK inhibition}, journal = {Synlett}, volume = {36}, year = {2025}, month = {MAR}, pages = {522-530}, type = {Article}, abstract = {

Mer proto-oncogene tyrosine-protein kinase (MerTK), a part of the TAM (TYRO3, AXL, and MerTK) family, is directly correlated with metastasis and various types of cancers. The inhibition of this receptor is a promising strategy for more-effective chemotherapy. Considering the pharmacophoric features of the active domain of MerTK and the structural characteristics of the investigational drug BMS794833, we designed five new N -{4-[(7-chloro-5-methylpyrrolo[2,1- f ][1,2,4]triazin-4-yl)oxy]-3-fluorophenyl}benzenesulfonamide analogues. In cytotoxicity studies, one of the analogues displayed a significantly higher cytotoxicity than cisplatin. It showed IC50 values of 2.09, 1.96, and 3.08 mu M against A549, MCF-7, and MDA-MB-231 cancer cell lines, respectively. In drug metabolism and pharmacokinetic studies, it was the most stable analogue and displayed a moderate MerTK inhibitory potential. Molecular-docking studies were performed to corroborate the MerTK inhibition, and the same analogue achieved the most significant docking score (-12.33 kcal/mol). Docking interactions demonstrated that the imine and amine group of the 3-chloropyridine moiety of BMS794833 formed hydrogen bonds with the main chain of the ATP pocket residue Met674, while the oxygen atoms of the 4-oxo-1,4-dihydropyridine-3-carboxamide moiety established hydrogen bonds with the Lys619 and Asp741 amino acid residues of the allosteric pocket of MerTK protein. These promising results provide evidence that the N -{4-[(7-chloro-5-methylpyrrolo[2,1- f ][1,2,4]triazin-4-yl)oxy]-3-fluorophenyl}benzenesulfonamide pharmacophore can give potential insights into the development of new MerTK inhibitors.

}, keywords = {cancer chemotherapeutics, kinase inhibitors, metabolic studies, pyrrolotriazines, sulfonamides}, issn = {0936-5214}, doi = {10.1055/a-2360-6586}, author = {Sathe, Balaji Dashrath and Meenakshi, Meenakshi and Murti, Yogesh and Mane, Madhav Shivaji and Pandey, Sarvesh Kumar and Mahajan, Shriya and Rawat, Pramod and Kandhari, Harsimrat and Goel, Kapil Kumar and Dwivedi, Ashish Ranjan and Rathod, S. V.} } @article {50011, title = {Development of reversed-phase HPLC method for purity assessment of aryl porphyrins and their metal complexes}, journal = {SSC Plus}, volume = {8}, year = {2025}, month = {MAY}, pages = {e70058}, type = {Article}, abstract = {

A gradient reversed-phase HPLC method was developed for in-process monitoring of the formation of aryl porphyrins and their corresponding metallo-aryl porphyrins. The method also proved effective for determining their quantitative purity. Optimal results achieving proper peak shape and separation of peaks in the chromatogram were obtained using C8 column and gradient of acetic acid-water and acetonitrile. The detector wavelength was selected for simultaneous detection of starting materials and products for in-process analysis for conversion of aryl aldehydes to corresponding tetraaryl porphyrins at 254 nm and metallo-aryl porphyrins formation from tetraaryl porphyrin at 413 nm, respectively; while the purity of products could be determined at 413 nm. The developed method is efficient, versatile, accurate, and easy to carry out and could serve as a handy tool for the reaction monitoring and determination of purity in the processes development of synthetic porphyrins and metalloporphyrins.

}, doi = {https://doi.org/10.1002/sscp.70058}, author = {Ujagare, Ashish Mohan and Uzagare, Matthew C. and Ghogare, Bhausaheb N. and Gupta, Lokesh Kumar and Wadgaonkar, Prakash P. and Patil, Vishwanath R. and Donde, Kamini J.} } @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 {49846, title = {Diboron reagents in modern reduction chemistry: a versatile tool for reduction of various functional groups}, journal = {Advanced Synthesis \& Catalysis}, volume = {367}, year = {2025}, month = {OCT}, type = {Review}, abstract = {

Reduction of various organic functionality including aldehyde, ketone, nitro, imine, and alkyne has gained noteworthy attention due to its vast application of products in organic transformation reactions. To attempt hydrogenation several approaches have been reported by using molecular hydrogen as a reducing source. Besides, this diboron (tetrahydroxy diboron, bispinacolato diboron, neoglycolato diboron) has shown a promising and alternative approach for the reduction of the reducible functional group without using any molecular hydrogen. The ligand-free reduction approach of commercially available diboron reduces the organic compound by using water or organic solvent and metal salt making it an attractive protocol in the recent era of reduction as well as hydrogenation. Herein, we provide an extensive and collective overview of the diboron-mediated reduction approach of various organic compounds.

}, keywords = {diboron, H2, H2O/MeOH, Metal, reduction}, issn = {1615-4150}, doi = {10.1002/adsc.70066}, author = {Gavit, Amit Vinayak and Darandale, Nutan Rajendra and Surange, Sarthak Baburao and Sawant, Dinesh Nanaji} } @article {49873, title = {Divergent synthesis of 3-formylpyrazolo[1,5-a]pyrimidines and methylene-bridged bis(pyrazolo[1,5-a]pyrimidines) using DMSO as a single carbon synthon}, journal = {Organic \& Biomolecular Chemistry}, volume = {23}, year = {2025}, month = {AUG }, pages = {7566-7570}, type = {Article}, abstract = {

A divergent approach has been explored for synthesizing 3-formylpyrazolo[1,5-a]pyrimidines and methylene-bridged bis(pyrazolo[1,5-a]pyrimidines) using DMSO as a C1 synthon. A library of 3-formylpyrazolo[1,5-a]pyrimidines and methylene-bridged bis(pyrazolo[1,5-a]pyrimidines) has been synthesized using CuOAc and AcOH, respectively. The reaction progressed through a radical pathway. The usefulness of 3-formylpyrazolo[1,5-a]pyrimidines in synthesizing a zaleplon derivative has been demonstrated.

}, issn = {1477-0520}, doi = {10.1039/d5ob01042j}, author = {Sikdar, Papiya and Das, Sourav and Saini, Sheetal and Sawant, Sanghapal D. and Bagdi, Avik Kumar} } @article {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 {49695, title = {Dopant and exfoliation induced simultaneous modification of charge density and C--C coupling sites for efficient CO2 photoreduction to ethylene}, journal = {Angewandte Chemie-International Edition}, volume = {64}, year = {2025}, month = {JUL}, pages = {e202423471}, type = {Article}, abstract = {

The photochemical conversion of CO2 into C2+ products has emerged as an attractive method for synthesizing valuable chemicals and fuels using abundant solar energy. However, the challenge lies in enhancing the efficiency and selectivity of C2+ product formation. In this study, we employed a heteroatom doping strategy to optimize the photocatalytic parameters and achieve excellent efficiency and selectivity in the photocatalytic CO2 reduction to C2+ product formation. Our experimental analysis revealed that the local electronic structure of the catalyst, modified by In-doping, enables enhanced efficiency. Additionally, the incorporation of Cu facilitates the coupling of C1 intermediates, resulting in excellent selectivity towards C2+ products. The CO2 reduction performance is further enhanced through exfoliation, which increases the exposure of active sites and extends the charge carrier lifetime by reducing the charge diffusion length. We report that the rate of formation of C2H4 reached 54.3 mu molh(-1)g(-1) with an outstanding selectivity of 91\% over the exfoliated CuIn-doped AgBiP2S6 catalyst. By elucidating the role of heteroatom doping and exfoliation in enhancing both the efficiency and selectivity of C2+ product formation, our study contributes to advancing the development of sustainable and efficient photocatalytic CO2 conversion technologies.

}, keywords = {C \& horbar, C coupling, CO2 reduction, Doping, Exfoliation, Photocatalysis}, doi = {10.1002/anie.202423471}, author = {Das, Kousik and Chakraborty, Subhajit and Kediya, Siddhi and Singh, Ashutosh Kumar and Das, Risov and Mondal, Soumi and Riyaz, Mohd and Goud, Devender and Dutta, Nilutpal and Vinod, Chathakudath P. and Peter, Sebastian C.} } @article {49970, title = {Dual inhibition of AXL and MER kinase: scope for lung and breast cancer therapeutics}, journal = {Bioorganic Chemistry}, volume = {164}, year = {2025}, month = {SEP}, pages = {108824}, type = {Article}, abstract = {

Cancer cells use multiple survival pathways for continuous proliferation, survival, and growth. Recent anticancer drug discovery commonly focuses on a single target that maintains key cancer cell survival mechanisms, where typically, this is a cellular enzyme that inhibits DNA replication, inducing cell damage and apoptosis. Since drugs that act on a single target may be more susceptible to the development of resistance, the search for polypharmacotherapeutics is becoming increasingly popular to defeat drug-resistant cancer cells. Receptor tyrosine kinases (RTKs) family members, AXL and MER, have been identified as important cancer targets and found to be overexpressed and associated with various forms of cancers, such as lung and breast cancers. This review has focused on the dual inhibition of AXL and MER kinases as a strategy for treating lung and breast cancer. The roles of these two kinases in non-small cell lung cancer (NSCLC) are such that dual inhibition would be therapeutically complementary, with MER inhibition more fully blocking tumor growth while AXL inhibition encourages chemosensitivity. Hence, treatment strategies targeting both of these RTKs may be more effective and beneficial than singly targeted agents, and a dual AXL/MER inhibitor is a potential therapy for NSCLC along with breast cancer. This review highlights the preclinical and clinical development of dual AXL and MER kinase inhibitors as lung and breast cancer treatments and the prospects for their future progression.

}, keywords = {AXL, Breast cancer, Cancer therapy, MER, Multi-kinase inhibitors, NSCLC targeted therapy}, issn = {0045-2068}, doi = {10.1016/j.bioorg.2025.108824}, author = {Sathe, Balaji Dashrath and Kumari, Pratibha and Kumar, Hemant and Mane, Madhav Shivaji and Mudududdla, Ramesh and Baell, Jonathan and Kumar, Roshan and Singh, Shareen and Pawar, D. K. and Kommi, Damodara N. and Bushi, Ganesh and Pathak, Prateek and Dwivedi, Ashish R.} } @article {49894, title = {Effectiveness of 3-amino-2-thiocyanato-α, β-unsaturated carbonyl compounds against chikungunya virus}, journal = {Future Medicinal Chemistry}, volume = {17}, year = {2025}, month = {JUN }, pages = {1269-1279}, type = {Article}, abstract = {

Aim Chikungunya fever (CHIKF) caused by the chikungunya virus (CHIKV) is characterized by the presence of long-term polyarthralgia in a minor proportion of the infected patients. Currently, there are no FDA-approved antivirals available. This study evaluated the anti-CHIKV potential of 16 synthetic 3-amino-2-thiocyanato-alpha, beta-unsaturated carbonyl compounds and elucidated their probable mechanisms of action. Methods Anti-CHIKV activity of 16 compounds were investigated in Vero CCL-81 cells using focus forming unit assay (FFU). Dose-dependent and time-dependent antiviral assays were performed for the effective compounds. Molecular docking was performed to find out their interactions with viral proteins. Results Five compounds showed promising anti-CHIKV activity by reducing viral titer with \>1 log10 FFU/ml. Dose-dependent studies revealed that the compound 3 g was more effective in reducing the virus titer with a half-maximal inhibitory concentration (IC50) of 0.4315 mu M and a selectivity index of 35.99. Docking analyses revealed that all the compounds mainly interact with the non-structural proteins of CHIKV. Conclusions These findings demonstrate the in vitro anti-CHIKV activity of these compounds, and their possible mode of action via interference with early stages of infection and replication processes. This study warrants further preclinical and clinical evaluation to establish their safety and efficacy as novel anti-CHIKV therapeutics.

}, keywords = {3-amino-2-thiocyanato-alpha, antivirals, beta-unsaturated carbonyl compounds, Chikungunya virus (CHIKV), nsP2 helicase, therapeutics}, issn = {1756-8919}, doi = {10.1080/17568919.2025.2517527}, author = {Alagarasu, Kalichamy and Dhote, Radhika and Bagad, Pooja K. and Kharikar, Dwidhesh and Patil, Poonam and Roy, Diya and Shukla, Shridhar and Cherian, Sarah and Senthilkumar, Beeran and Parashar, Deepti} } @article {49819, title = {Efficient continuous catalytic process for production of bisphenol A}, journal = {Organic Process Research \& Development}, volume = {29}, year = {2025}, month = {OCT}, pages = {2530-2543}, type = {Article}, abstract = {

Bisphenol A (BPA) is a versatile chemical compound that is essential for producing durable polycarbonate plastics and strong epoxy resins, which are integral to numerous everyday products. In the present study, BPA was prepared using phenol and acetone using a highly active and reusable ion-exchange resin (IER) Lewatit K1131S as the catalyst. Under optimized conditions, an acetone conversion of 84\% and a BPA selectivity of 94\% were achieved. The produced BPA was further purified, resulting in a 96\% isolated yield with 99.5\% purity. The reusability of Lewatit K1131S has been studied, and it was found that it can be reused multiple times without affecting the selectivity for BPA. The kinetics of the reaction was studied using the Langmuir-Hinshelwood model; it was found that the reaction follows pseudo-first-order kinetics, and the apparent activation energy was determined to be 12.7 kJ/mol. A continuous pilot scale process for the production of BPA using a fixed-bed reactor (packed with ion-exchange resin) has been developed. Pilot plant trials were conducted at different flow rates such as 200, 300, and 500 g/h, and a downstream processing methodology using an agitated thin film evaporator (ATFE) was employed for the BPA purification. This resulted in high throughput, producing 99.2\% isolated BPA yield with 99.5\% HPLC purity. Additionally, the robustness and viability of the catalyst were assessed at a flow rate of 200 g/h, producing 22.5 kg of BPA per kg of catalyst, highlighting its cost-effectiveness, stability, and resistance to deactivation, which shows its suitability for industrial-scale applications. The environmental viability of the process was further evaluated by using the E-factor and Process Mass Intensity (PMI) metrics. The estimated E-factor was 0.3118, while the corresponding PMI was 1.3935. These lower values indicate reduced waste generation, improved material efficiency, and enhanced sustainability of the process.

}, keywords = {bisphenolA, BPA purification, Continuous process, E-factor, ion-exchange resins (IER), PMI, process optimization, reactionkinetics}, issn = {1083-6160}, doi = {10.1021/acs.oprd.5c00204}, author = {Dhotre, Kapil and Patil, Chetana Rupak and Tarade, Komal P. and Markandeya, Nishant and Pathak, Abhishek and Bhongale, Sunil S. and Kamble, Sanjay P.} } @article {49935, title = {Electronic, magnetic, and mechanical properties of co-doped GaSb: A promising diluted magnetic semiconductor}, journal = {Journal of Magnetism and Magnetic Materials}, volume = {632}, year = {2025}, month = {NOV }, pages = {173499}, type = {Article}, abstract = {

{Understanding the interplay between magnetism and the electronic structure is crucial for the development of novel spintronic materials. This study employs density functional theory (DFT) calculations to investigate these properties in cubic Gallium Antimonide (GaSb) doped with Cobalt (Co) (Ga1-xCoxSb

}, keywords = {Density functional theory, Dilute magnetic semiconductors, Electronic properties, GaSb, mechanical properties, Spintronic materials}, issn = {0304-8853}, doi = {10.1016/j.jmmm.2025.173499}, author = {Samant, Ramnath and Saraf, Deepashri and Adhikari, Rajendra P. and Shilkar, Omkar and Raikar, Sakshit and Silveira, Allan and Sawant, Manthan and Sappati, Subrahmanyam and Joshi, Niharika and Desai, Ashish M.} } @article {49885, title = {Energy-saving H2 production through H2S electrolysis accompanying solid sulfur recovery using a Ni3S2/Ni3N heterostructure as the electrocatalyst}, journal = {ACS Applied Energy Materials}, volume = {8}, year = {2025}, month = {SEP }, pages = {13631-13644}, type = {Article}, abstract = {

The thermodynamically feasible electrochemical sulfion oxidation reaction (SOR) is advantageous for degrading the toxic H2S pollutant into the value-added chemical sulfur but often suffers from catalyst passivation due to blockage of electroactive sites by accumulation of solid sulfur. The strategic design of electrocatalysts with enhanced electrochemical activity and improved sulfur tolerance is thereby crucial to fully harness the benefits of the SOR. In this work, we developed nickel sulfide nanorods decorated with nickel nitride nanoparticles directly grown on conductive nickel foam as an efficient trifunctional electrocatalyst for the SOR, oxygen evolution reaction (OER), and hydrogen evolution reaction (HER). Optimized Ni3S2/Ni3N showed lower electrode potentials of 0.25, 1.487, and 0.89 V to achieve a benchmark current density of 10 mA cm(-2) for the SOR, OER, and HER, respectively. The hybrid H2S electrolysis setup employing a Ni3S2/Ni3N electrocatalyst drastically reduced the cell potential by 1.24 V compared to that of conventional water electrolysis at a current density of 200 mA cm(-2). Having said that, heterostructure formation not only enhances the activity for the SOR but also helps to avoid sulfur poisoning, enabling the electrocatalyst to sustain for 100 long hours at a high current density of 100 mA cm(-2). Consequently, the approach with the developed electrocatalyst has the ability to reduce the energy consumption by 59.22\%, which can make rigorous, economically viable H-2 production driven by solar energy.

}, keywords = {energy-economic, H-2 production, H2S electrolysis, heterostructure, solidsulfur}, issn = {2574-0962}, doi = {10.1021/acsaem.5c01952}, author = {Sinha, Nibedita and Das, Chandni and Pal, Santanu and Roy, Poulomi} } @article {49697, title = {Engineered silk matrix as a substitute for acellular dermal matrix in breast reconstruction surgery}, journal = {International Journal of Biological Macromolecules}, volume = {312}, year = {2025}, month = {JUN}, pages = {144017}, type = {Article}, abstract = {

Implant-based breast reconstruction is a common standard of care for breast cancer patients following mastectomy. To support implant weight and placement, surgeons utilize autologous tissues, acellular dermal matrices (ADMs), or synthetic meshes. While ADMs provide structural support, they present significant risks, including infection transmission and seroma. Conversely, synthetic meshes exhibit poor cellular adhesion, leading to inadequate tissue integration. To address these challenges, there is a need for a matrix that enhances tissue integration while minimizing infection risks and other complications. Silk fibroin (SF), a natural biopolymer, possesses excellent biocompatibility and mechanical properties. This study introduces a novel engineered silk matrix (ESM) as an advanced solution for soft tissue regeneration, specifically in breast reconstruction surgery. The present study establishes the safety of ESM and evaluates its potential a tissue regeneration matrix through extensive in-vitro and in-vivo analyses. In-vitro assays demonstrated superior cellular adhesion, proliferation of human mammary fibroblast cells (HMFCs), collagen deposition and angiogenesis in ESM compared to collagen matrices and ADMs. Safety assessments, conducted in accordance with ISO 10993 guidelines, confirmed noncytotoxic nature of ESM. Furthermore, subcutaneous implantation revealed no systemic toxicity or adverse tissue reactions. In-vivo studies utilizing a Yorkshire pig model of simulated breast reconstruction surgery, demonstrated superior performance of ESM over collagen matrices in tissue regeneration. The findings showed enhanced fibroblast density, increased collagen deposition, and improved vascularization. These results suggest that ESM is a safer and more effective alternative to ADMs in breast reconstruction, with the potential to revolutionize post-mastectomy care for breast cancer patients.

}, keywords = {Biocompatibility, Breast reconstruction, ISO 10993, Polymer, Safety, Silk protein, tissue regeneration}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2025.144017}, author = {Deshpande, Rucha and Shukla, Swati and Kale, Amod and Sayyad, Raeesa and Kewale, Bhawana and Deshmukh, Narendra and Nisal, Anuya and Venugopalan, Premnath} } @article {49764, title = {Engineered silk-dressing for acceleratedwound healing: biocompatibility and efficacy studies}, journal = {Macromolecular Bioscience}, volume = {25}, year = {2025}, month = {NOV}, pages = {e00323}, type = {Article}, abstract = {

Advanced wound care dressings are essential for improving clinical outcomes. The present study investigates the wound management potential of a unique dressing fabricated from silk proteins. The dressing was characterized for its physical and structural properties, including surface texture, porosity, fluid absorption capacity, and moisture vapor transmission rate. These parameters have been found to be critical for optimal wound healing. In vivo full thickness wound healing studies in a rat model validated the efficacy of the Silk-dressing compared to conventional cotton gauze and commercial polyurethane foam dressings. Histopathological analysis confirmed improved re-epithelialization, collagen deposition, angiogenesis, and formation of secondary follicles. Key advantages of Silk-dressing included non-adherence, absorption of exudate, maintenance of optimal moisture at wound site and acceleratedwound closure. Biocompatibility studies were also conducted in accordance with ISO 10993 guidelines, demonstrating no cytotoxicity, irritation, sensitization, or pyrogenicity. These findings highlight the potential of this uniquely designed Silk-dressing as a superior alternative for wound management, with a potential to improve clinical outcomes.

}, keywords = {Biocompatibility, biopolymer, ISO 10993, Silk protein, wound Healing}, issn = {1616-5187}, doi = {10.1002/mabi.202500323}, author = {Deshpande, Rucha and Pillai, Lakshmi R. and Sayyad, Raeesa and Shukla, Swati and Nisal, Anuya and Venugopalan, Premnath} } @article {49681, title = {Engineering luminescent carbon dot emission through surface state functional group via heteroatom doping and unveiling the effect of solvents}, journal = {Langmuir}, volume = {41}, year = {2025}, month = {APR }, pages = {13751-13762}, type = {Article}, abstract = {

This work comprehends the synthesis of carbon dots from papaya leaves (PCD) using water, ethanolamine (EA), and dimethylformamide (DMF). Ethylenediamine (EDA) was used to introduce nitrogen doping. Water-based PCDs emit blue light, while those in EA and DMF emit red light due to increased oxidation. In EA or DMF with EDA, red emission quenches, and enhanced blue emission is observed, which infers reduced oxidation. This indicates that EDA shifted the emission back to the blue. These findings were confirmed by hypothetical mechanistic studies, Raman spectroscopy, and X-ray photoelectron spectroscopy (XPS). The Raman spectrum revealed defect-activated D and G bands; defects increase in pure solvents compared to water but decreases in mixed solvents such as EA + EDA and DMF + EDA. In XPS, C-O bonds were detected at a higher level in EA and DMF, whereas C-N bonds were observed at a higher level in EDA. TEM images showed that the synthesized PCDs ranged from 1 to 5 nm, with interplanar spacing values consistent with X-ray diffraction (XRD) analysis. PCDs synthesized from a sustainable carbon source exhibit tunable fluorescence from blue to red and vice versa based on solvents used during the engineering of surface state functional group. This makes them promising candidates for fluorescent security inks.

}, issn = {0743-7463}, doi = {10.1021/acs.langmuir.4c05002}, author = {Devi, Suman and Luwang, Meitram Niraj} } @article {49710, title = {Enhanced electrocatalytic performances of NiCr layered double hydroxides by oxalate intercalation in anion exchange membrane water electrolysis}, journal = {ACS Applied Materials \& Interfaces}, volume = {17}, year = {2025}, month = {JUN}, pages = {37863-37878}, type = {Article}, abstract = {

Layered double hydroxides (LDHs) have attracted much attention these days in the field of water electrolysis due to easy modulation in their layered structure and properties. Herein, NiCr-LDH has been developed, and its interlayer spacing has been considerably increased by oxalate intercalation. Such increased interlayer spacing allows easy access of hydroxides to a large number of electroactive sites and thereby boosts the electrocatalytic performances both for oxygen and hydrogen evolution reactions. Being very active toward both the electrocatalytic reactions, the oxalate-intercalated NiCr-LDH was further explored in an alkaline anion exchange membrane water electrolyzer (AEMWE), achieving 800 mA cm-2 at 1.88 V cell voltage at an operating temperature of 60 degrees C. In fact, the electrolyzer efficiency has been determined to be as high as 69.66\%, and the calculated H2 production cost was found to be \$0.97 per gasoline-gallon equivalent, which is well below the targeted cost by the Department of Energy, USA. The electrocatalyst was also examined in harsh alkaline media, like highly saline or seawater, which also indicated its ability to carry out sustainable seawater electrolysis, restricting chlorides to a great extent. Interestingly, post-electrolysis characterization reveals the fact that oxalate decomposition aided carbonate formation within interlayers of NiCr-LDH, and high affinity toward hydroxides is responsible for restricting chlorides during the electrolysis process, apart from the great electrocatalytic activity.

}, keywords = {Anion exchange, hydrogen production, interlayerspacing, Layered double hydroxide, Sustainable, water electrolyzer}, issn = {1944-8244}, doi = {10.1021/acsami.5c04189}, author = {Pal, Santanu and Sinha, Nibedita and Das, Chandni and Chauhan, Inderjeet and Ahmed, Tanbir and Roy, Poulomi} } @article {49877, title = {Enzymatic biodegradation of used engine oil using a novel lipase derived from renewable feedstocks}, journal = {World Journal of Microbiology \& Biotechnology}, volume = {41}, year = {2025}, month = {NOV}, pages = {448}, type = {Article}, abstract = {

This study introduces an eco-friendly enzymatic approach for biodegrading used engine oil, utilizing a novel lipase from the mesophilic yeast strain Pichia Caribbica. The yeast was cultured in detoxified corncob hydrolysate with used cooking oil as an inducer. OVAT study confirmed that the optimal pH and temperature for lipase production by the strain was 7.0 and 25 degrees Celsius, respectively, with lipase activity of 70 IU/mL. The enzyme effectively degraded similar to 46\% of used engine oil over a period of 15 days. Gas Chromatography-Mass Spectrometry (GC-MS) and FT-IR analysis confirmed a significant reduction in hydrocarbon concentrations and the emergence of new functional groups, confirming the enzyme{\textquoteright}s ability to degrade complex hydrocarbons into less toxic derivatives. These findings highlight the lipase{\textquoteright}s potential as an effective biocatalyst for eco-friendly bioremediation of oil-contaminated environments, such as soils and aquatic systems, while also emphasizing its role in environmental management through the reuse of waste by-products in enzyme production, thus reducing the environmental impact of improper waste disposal.

}, keywords = {Biodegradation, Lipase, PC5703, Used cooking oil, Used engine oil}, issn = {0959-3993}, doi = {10.1007/s11274-025-04650-x}, author = {Tracy, Preetanshika and Dasgupta, Diptarka and Ashok, Patel Pratima and More, Snehal and Sarkar, Bipul and Porwal, Jyoti and Tripathi, Deependra} } @article {49491, title = {Evaluating the preferential adsorption of N2 from a binary mixture of N2/O2 on extra-framework cations of zeolites: a computational and experimental study}, journal = {Physical Chemistry Chemical Physics}, volume = {27}, year = {2025}, month = {APR }, pages = {7846-7857}, type = {Article}, abstract = {

Separation of N2 from a N2/O2 gas mixture is critical for various industrial/medical applications. Temperature/pressure swing adsorption is the top-notch industrial technology used for this separation, where zeolites are the materials used for adsorption. Zeolite X/Y with Li+ as an extra-framework cation is the best-known sorbent for N2 gas molecules. However, the present net zero emission scenario has made lithium a critical element, making it imperative to implement its alternative in various other technologies. In this context, the present work is a computational evaluation to identify a cation that can replace Li+ for preferential adsorption of N2 over O2. The DFT study, based on parameters such as selective adsorption energies of N2 over O2 and IR stretching frequencies of the adsorbed N2 and O2 molecules, identifies Mg2+, Ca2+, Sr2+, Co2+ and Zn2+ as potential cations. These cations have preferential adsorption for N2 over O2 by 10 kJ mol-1 or more. However, BOMD simulations reveal that only Mg2+, Ca2+, Co2+ and Zn2+ keep the N2 molecule bound at 300 K and the O2 molecule gets desorbed from these frameworks. The desorption temperature of N2 on Ca2+ and Zn2+ is 350 K and on Mg2+ is 400 K. These observations are corroborated by electronic charges on cations and molecular orbitals. Significantly, Ca2+ is identified to adsorb up to 2 N2 molecules, making it an ideal candidate for N2/O2 separation in place of Li+. To validate this, we have carried out an experimental study that showed a good N2 adsorption capacity of 2.1 mmol g-1 for Ca2+.

}, issn = {1463-9076}, doi = {10.1039/d4cp04193c}, author = {Devasia, George and Nandanwar, Sachin U. and Krishnamurty, Sailaja} } @article {49409, title = {Evaluation of reaction kinetics for chemoselective hydrogenation of citral for intensification of citral intermediates using copper-based catalysts}, journal = {Indian Chemical Engineer}, volume = {67}, year = {2025}, month = {MAR}, type = {Article}, abstract = {

Citral intermediates{\textquoteright} formation kinetics is studied using non-noble metal catalyst (Cu/SiO2) to evaluate catalyst performance characteristics via chemoselective hydrogenation of citral. The catalyst is synthesised by the precipitation method and characterised using XRD, FESEM and BET surface area analyser. Hydrogenation experiments are carried out using an Autoclave reactor in the temperature range of 80{\textendash}120{\textdegree}C, pressure range of 10{\textendash}50 bar and for catalyst loadings of 0.5, 1 and 1.5 g. The intermediates product distribution comprises aldehyde and alcohol formation such as citronellal, nerol and citronellol formation. The performance of the Cu/SiO2\ catalyst is evaluated using the parameters such as citral conversion, citronellol selectivity and yield as 96.96\%, 95.30\% and 92.30\%, respectively under optimal conditions of 50 bar, 120{\textdegree}C and 1 g catalyst for the reaction time of 100 min. The absence of internal and external mass transfer limitations is verified using the Carberry number and Weisz-Prater modulus criterion. The intrinsic kinetics of the gas{\textendash}liquid phase hydrogenation of citral is determined using the Langmuir{\textendash}Hinshelwood-Hougen-Watson (LHHW) model for citral intermediates formation. The reaction kinetic parameters show that citronellol formation favours by the nerol route compared to citronellal conversion.

}, doi = {https://doi.org/10.1080/00194506.2024.2390068}, author = {Debtirtha, Banik and Kinage, Anil K. and Vasireddy, Satyam Naidu} } @article {49787, title = {Experimental investigation and lumped kinetic modeling studies for upcycling of polyolefins}, journal = {Journal of the Indian Chemical Society}, volume = {102}, year = {2025}, month = {NOV}, pages = {102127}, type = {Article}, abstract = {

The present work discusses on comparative kinetic analysis of the pyrolysis of polypropylene (PP), high-density polyethylene (HDPE), and low-density polyethylene (LDPE) using sophisticated lumped models. Unlike many previous studies that focused on single-polymer kinetic models or employed simplified reaction schemes, this study develops an enhanced multistep reaction network that explicitly considers both primary decomposition and secondary cracking pathways, thereby improving the accuracy of product distribution predictions. By integrating this detailed reaction framework with a robust nonlinear regression approach using LSQNONLIN and ODE45 solvers in MATLAB, the study achieved greater accuracy in estimating kinetic parameters than traditional curve-fitting methods. The findings reveal that HDPE exhibits the highest activation energy (222.97 kJ mol(-1)), indicating it is more thermally stable than LDPE (193.44 kJ mol(-1)) and PP (62.16 kJ mol(-1)). One of the highlights of the present work is that lower pyrolysis temperature (400 degrees C) is found to be optimum for liquid yield by reducing secondary cracking, which aligns with the sustainable fuel production principles. The study also emphasizes on the limitations of previous lumped models that overlooked wax decomposition pathways, which are crucial for optimizing the hydrocarbon distribution. Future research should investigate catalytic interventions and reactor design modifications to enhance the product selectivity and scalability. This study offers a more comprehensive kinetic framework for advancing the valorization of plastic waste through pyrolysis, aiding the development of efficient waste-to-fuel conversion strategies.

}, keywords = {Lumped kinetic modeling, Plastic pyrolysis, Rate constants, Reaction pathways, Secondary cracking reactions, Temperature-dependent product distributions}, issn = {0019-4522}, doi = {10.1016/j.jics.2025.102127}, author = {Kavade, Omkar G. and Dhepe, Paresh L. and Devi, Nandini R. and Vasireddy, Satyam Naidu} } @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 {49729, title = {Facet dependence for solvent-modulated proton-coupled electron transfer in furfural acetalization on Pd nanostructures}, journal = {Chemical Engineering Journal}, volume = {514}, year = {2025}, month = {JUN}, pages = {163159}, type = {Article}, abstract = {

Furfural dialkyl acetals prepared via acetalization reaction of furfural and alcohols are promising biofuels. Using defined experiments and density functional theory (DFT) simulations, the structure-dependent activity and selectivity for furfural acetalization reaction in the presence of alcohols (methanol, ethanol, propanol and butanol) as solvents was studied over well-defined supported Pd nanostructures (octahedra (111), cubes (100) and spheres (both (111) and (100)). Pd cubes supported over TiO2 in the presence of ethanol as a solvent (at 303 K and balloon pressure H-2) exhibited 78 \% conversion and 100 \% selectivity for furfural diethyl acetal product in a short time (similar to 180 min). In contrast, Pd octahedra (111) and Pd spheres showed low conversions (18 \% and 6 \%) at the same reaction conditions. Interestingly, when used as a solvent, methanol showed the highest conversion (90 \%) and selectivity (100 \%) for furfural acetalization over Pd cubes. DFT simulations provided mechanistic insight into the reactivity of the two different Pd facets (111) and (100) in the presence of alcohol molecules towards furfural acetalization reaction. A three-step reaction mechanism was proposed for furfural acetalization with alcohols: (i) alcohol hydroxyl-dehydrogenation (ii) hydrogenation of furfural carbonyl oxygen, and (iii) formation of hemiacetal product. For all three steps, Pd (100) exhibited low activation barriers (51.6, 26.7 and 76.2 kJ/mol) compared to Pd (111) surface (78.6, 35.8 and 92.2 kJ/mol) in the presence of ethanol. The activation barriers for the above steps were further reduced to 47.8, 23.9 and 64.6 kJ/mol on Pd (100) in the presence of methanol, explaining the experimental high reactivity aided by methanol. DFT calculations elucidated the role of the hydrogen bonding network between the solvent molecules and adsorbate, enabling proton-coupled electron transfer for accelerated reactions.

}, keywords = {Acetalization, DFT, facet-dependent reactivity, furfural, Furfural dialkyl acetals, solvent effect}, issn = {1385-8947}, doi = {10.1016/j.cej.2025.163159}, author = {Porwal, Govind and Dandekar, Pallavi and Gorai, Twinkle and Khan, Tuhin Suvra and Haider, M. Ali and Gupta, Shelaka and Vinod, C. P.} } @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 {49817, title = {Fermi-level equilibrium-driven trap filling in multibandgap PbS quantum dot solids enabling record voltage generation and improved carrier transport in high-performance solar cells}, journal = {ACS Energy Letters}, volume = {10}, year = {2025}, month = {DEC}, pages = {6336-6346}, type = {Article}, abstract = {

To leverage the unique optical properties of quantum dots (QDs) in solar cells, it is crucial to address electronic traps from unsaturated surface states of high surface area QDs. Despite advancements in surface passivation, even the best-coupled QD solids exhibit significant sub-bandgap trap states. This study introduces engineered multibandgap PbS QD solids that achieve passivation of deep traps below the conduction band through electron migration from dopant QDs. Our findings indicate that electron flow, driven by Fermi energy balancing in blend films, fills deep trap states, reducing trap density by half and shifting trap energy positions closer to the conduction band. During electrical transport, trap filling minimizes trapping and detrapping events, enhancing overall carrier mobility, despite higher-bandgap dopant QDs not contributing to carrier transport due to their unfavorable energy positions. Improved trap passivation in coupled QD solids leads to a record V oc of 725 +/- 10 meV for the 1.33 eV excitonic peak of QDs and a power conversion efficiency exceeding 14\% in solar cells.

}, issn = {2380-8195}, doi = {10.1021/acsenergylett.5c03000}, author = {Dambhare, Neha V. and Biswas, Arindam and Sharma, Anjali and Shinde, Dipak Dattatray and Mitra, Anurag and Girade, Vrushali S. and Rath, Arup Kumar} } @article {49898, title = {Formal Synthesis of Corynanthe Indole Alkaloid ({\textpm})-Mitralactonine: Construction of α-Hydroxy-Keto Functionalized Tetracyclic Skeleton}, journal = {Chemistryselect}, volume = {10}, year = {2025}, month = {DEC }, pages = {e04415}, type = {Article}, abstract = {

An efficient synthesis of a tetracyclic skeleton common to many corynanthe alkaloids was accomplished in 10 linear steps starting from a known tetrahydro beta-carboline intermediate. The tetracyclic alpha-hydroxy keto functionalized advanced precursor of (+/-)-mitralactonine was realized using Wittig olefination, ketohydroxylation of a trisubstituted alkene, and a tandem amine unmasking-intramolecular nucleophilic displacement reaction for C-N bond formation of C/D-rings.

}, keywords = {alpha-hydroxy keto, beta-carboline, corynanthe alkaloid, intramolecular N-alkylation, mitragynine}, issn = {2365-6549}, doi = {10.1002/slct.202504415}, author = {Dumare, Nilesh B. and Sharma, Pallavi and Sivappa, Rasapalli and Chavan, Subhash P.} } @article {50007, title = {Genome mining of carbohydrate-active enzymes (CAZyme) and poly-γ-glutamic acid (γ-PGA) synthesis by Bacillus velezensis (WA11) directly from lignocellulosic biomass-based substrate}, journal = {Biocatalysis and Agricultural Biotechnology}, volume = {69}, year = {2025}, month = {NOV}, pages = {103747}, type = {Article}, abstract = {

Poly-γ-glutamic acid (γ-PGA/PGA), a non-toxic and biodegradable polymer with additional diverse properties such as higher heat resistance and water retention, is widely implicated in myriad applications, including agricultural and food processing, medical treatments, and cosmetics. The industrial bio-based production of γ-PGA is primarily hindered by the potential of microbial strains and substrate costs, which are attributed primarily to the carbon sources. The present study is a proof-of-concept study, wherein a bacterial isolate,\ Bacillus velezensis\ WA11 strain, was employed for the production of γ-PGA from sugarcane bagasse (lignocellulosic biomass) without any pretreatment or pre-processing. The CAZyme annotation identified several enzyme families involved in metabolizing complex polysaccharides, including cellulose, xylan, and lignin. We obtained 104.3\ g/L γ-PGA production with a productivity of 1.09\ g/L/h in the optimized synthetic medium containing maltose as a carbon source, 2.9-fold higher than the earlier study using maltose as a carbon source. Further, substituting maltose with untreated sugarcane bagasse resulted in 12\ g/L of γ-PGA, higher than most of the reported studies utilizing pretreated lignocellulosic biomass (LCB) lysates for producing γ-PGA. The present study demonstrates the production of γ-PGA using lignocellulosic biomass without pretreatment, providing a chemical-free, sustainable avenue for directly utilizing untreated lignocellulosic biomass (LCB) to produce expensive polymers by employing potential bacterial strains.

}, doi = {https://doi.org/10.1016/j.bcab.2025.103747}, author = {Yadav, Rakeshkumar and Awathare, Pranay and Shitut, Pushkar and Mahajan, Vaishnavi and Nair, Pranav and Dharne, Mahesh} } @article {49521, title = {Genome mining, probiotic characteristics, and in-silico safety assessment of Limosilactobacillus fermentum AV7 isolated from Avocado fruit pulp}, journal = {LWT-Food Science and Technology}, volume = {216}, year = {2025}, month = {JAN}, pages = {117231}, type = {Article}, abstract = {

Limosilactobacillus fermentum holds substantial promise for probiotic applications in human health and various industries. Herein, we present the first report of L. fermentum AV7 isolated from the avocado pulp and assessed for its probiotic potentials and safety through probiogenomic analyses and In-vitro probiotic assays. The genomic insights revealed genes associated with acid and bile tolerance and antimicrobial peptide production, highlighting the probiotic potential of the strain AV7. Notably, the in-silico safety analysis showed that the genome of L.fermentum AV7 is devoid of plasmid and lacks any putative antibiotic resistance or pathogenic traits, ensuring its safety for human consumption. Beyond the genomic and in-silico analysis, we also aimed to evaluate the probiotic potentials of AV7 strain using in- vitro tests for acid, gastric juice, intestinal fluid and bile tolerance, resilience to osmotic stress, followed by auto-aggregation and co-aggregation assays with Escherichia coli ATCC 8739. The data obtained through in-vitro studies confirmed the efficacy of L.fermentum AV7 as a probiotic strain, and positions it as a potent probiotic candidate, expanding the scope of probiotic research. Our study investigates avocados, a nutrient-dense fruit, as a novel source of beneficial lactic acid bacteria, thereby attracting innovative dietary and therapeutic applications. By introducing L .fermentum AV7 into the probiotic landscape, we pave the way for new health benefits from this beloved fruit. The research not only adds a new dimension to avocado utilization but also contributes to the relatively unexplored field of isolating beneficial bacteria from avocados, promising exciting advancements in human health.

}, issn = {0023-6438}, doi = {10.1016/j.lwt.2024.117231}, author = {Mahajan, Vaishnavi and Samson, Rachel and Dharne, Mahesh} } @article {50006, title = {Genomic insights and biotechnological potential of {\textquotedblleft}Mesobacillus aurantius{\textquotedblright} strain S13: a canthaxanthin pigment-producing bacterium}, journal = {Gene Reports}, volume = {40}, year = {2025}, month = {SEP}, pages = {102287}, type = {Article}, abstract = {

This study explores the discovery and characterization of pigments, from a microorganism thriving under environmentally challenging conditions. Utilizing a polyphasic taxonomic approach, we successfully isolated and identified a bacterial strain S13 within the\ Mesobacillus\ genus and Bacillaceae family, designated as {\textquotedblleft}Mesobacillus aurantius{\textquotedblright} S13. We confirmed the species based on comprehensive phenotypic, physiological, and biochemical analyses, molecular phylogenetics, DNA{\textendash}DNA hybridization, average nucleotide identity, and whole-genome sequencing. The strain S13 (MTCC13141\ =\ VKM B-3583\ =\ NBIMCC 9084) possesses a 4.81 Mbp genome that encodes genes for pigment production. Notably, this study uses various spectroscopic methods to characterize canthaxanthin, an orange pigment and delineates its biosynthetic pathway from the genome of S13. The methylerythritol phosphate (MEP) pathway and canthaxanthin biosynthesis genes highlight the capacity of the bacterium to synthesize crucial isoprenoids and terpenoids, including canthaxanthin. This research provides a detailed account of the isolation, characterization, and taxonomic classification of {\textquotedblleft}Mesobacillus aurantius{\textquotedblright} S13 and underscores the potential biotechnological applications of the bacterium in producing pharmaceuticals, biofuels, and cosmetics. Therefore, {\textquotedblleft}Mesobacillus aurantius{\textquotedblright} S13 is a potentially valuable microbial resource for the industrial production of isoprenoids and pigments.

}, doi = {https://doi.org/10.1016/j.genrep.2025.102287}, author = {Karthik, Shankar and Raman, Gurusamy and Srinivasan, Arumugam and Dastager, Syed Gulam and Wagh, Vasudev and Ayyadurai, Niraikulam} } @article {49616, title = {Germylene mediated reductive C-C and C-N coupling of an isocyanide and its device application}, journal = {Angewandte Chemie-International Edition}, volume = {64}, year = {2025}, month = {FEB }, type = {Article}, abstract = {

We have demonstrated a unique reductive coupling of 4-iodophenyl isocyanide, facilitated by a perimidine-based N-heterocyclic germylene (NHGe), which yields a bis-spirogerma compound featuring simultaneous C-C and C-N bond formation. This reaction, which leads to the oxidation of germanium from +2 to +4, represents a significant departure from previously documented isocyanide-germylene interactions. The product exhibits extensive conjugation across its bicyclic C4Ge2N2 framework, conferring distinct photophysical properties, including prominent orange luminescence in both solution and solid states. The photophysical properties are supported by the TD-DFT calculations confirming an n -\>pi* transition. The potential application of this compound in optoelectronic devices, particularly as a hole transport layer in PbS quantum dot solar cells, is also explored, with promising preliminary results.

}, keywords = {Germylene, hole transport layer, Isocyanide, reductive coupling}, doi = {10.1002/anie.202417052}, author = {Gour, Kritika and Pramanik, Debjit and Dash, Soumya Ranjan and Shinde, Dipak Dattatray and Venugopal, Geethu and Vanka, Kumar and Rath, Arup K. and Sen, Sakya S.} } @article {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 {49457, title = {Green engineering of cellulose nanofibers and nanopapers from Wodyetia bifurcata fruits: a sustainable approach with emphasis on process optimization and tensile property assessment}, journal = {Biomass Conversion and Biorefinery}, volume = {15}, year = {2025}, month = {MAY}, pages = {9321-9335}, type = {Article}, abstract = {

Nanocellulose emerges as a highly promising material with versatile applications, offering solutions to environmental and sustainability challenges. This study delves into the extraction of cellulose nanofibers (CNFs) from\ Wodyetia bifurcata\ fruit pulp through mild oxalic acid hydrolysis assisted by steam explosion. To ensure environmental compatibility, chlorine-free pre-treatments were applied to eliminate non-cellulosic components. Chemical composition analysis verified the effective removal of non-cellulosic elements, validated by Fourier transform infrared spectroscopy (FTIR). Solid-state\ 13C nuclear magnetic resonance (13C NMR) spectroscopy confirmed the presence of type I cellulose α-polymorph in the CNF, while a crystallinity index of 60\% was determined by X-ray diffraction analysis (XRD). The transmission electron microscopy (TEM)\ images revealed a fibrous morphology with a fiber diameter ranging from 9 to 36\ nm. Dynamic light scattering (DLS) was employed to corroborate the observed fiber diameter. Mild acid hydrolysis elevated the maximum degradation temperature (Tmax) of CNF to 39\ {\textdegree}C compared to the pristine sample. Furthermore, this research explores the application of CNFs in nanopaper development using a casting method. The resulting nanopapers exhibited a tensile strength of ~ 17\ MPa and a transmittance of 25\%. These nanopapers present a viable pathway toward eco-friendly products in various industries, promising to revolutionize upcoming sustainable packaging technologies.

}, doi = {10.1007/s13399-024-05751-7}, author = {Sankar, Sameera and Neenu, K. V. and Parameswaranpillai, Jyotishkumar and Ajithkumar, T. G. and Shelke, Ankita Ramesh and Begum, P. M. Sabura and Bipinbal, P. K. and George, Tresa Sunitha and Badawi, Michael and Dominic, Midhun} } @article {49901, title = {Highly moisture-stable ferroelectric ammonium phosphate salt showing piezoelectric energy harvesting and rotation sensing applications}, journal = {Journal of Materials Chemistry A}, volume = {13}, year = {2025}, month = {JUL}, pages = {22574-22582}, type = {Article}, abstract = {

Ferroelectric phosphate-based materials are known for their biocompatibility, dipole switching, and high thermal stability. In this context, we report a novel organic ferroelectric material, diisopropylammonium bis(4-nitrophenyl) phosphate (DIPABNPP), crystallizing in the monoclinic C2 space group. DIPABNPP exhibits a high second harmonic generation (SHG) efficiency 2.5 times higher than that of potassium dihydrogen phosphate (KDP). The ferroelectric nature of DIPABNPP was confirmed by the observation of a rectangular P-E hysteresis loop, which gave a saturated polarization value of 6.82 mu C cm-2. The ferroelectric polar domains of DIPABNPP, along with the bias-dependent amplitude butterfly and phase hysteresis loops, were visualized by piezoresponse force microscopy (PFM). Furthermore, the polydimethyl siloxane (PDMS) composites of DIPABNPP enabled the fabrication of humidity-resistant piezoelectric nanogenerators (PENGs) with energy harvesting and mechanical-electrical sensing capabilities. The top-performing 10 wt\% DIPABNPP-PDMS device achieved a peak output voltage of 9.5 V and a charge storage efficiency of 81.8\%, successfully powering 53 LEDs. Additionally, its rapid response time of 18.5 ms enables precise rotation sensing capabilities, suggesting potential applications in motion monitoring, such as revolution per minute (RPM) counting. We also present a unique and refined method for obtaining the output work efficiency (OWE) parameter, which quantifies the ratio of harvested electrical energy to the maximum elastic energy stored in the composite device, taking into consideration several key parameters during the PENG measurements. For the 10 wt\% DIPABNPP-PDMS composite, an OWE of 13.1\% was achieved, highlighting both its current performance and potential for optimization. This metric provides a standardized approach for evaluating PENGs, addressing a critical gap in assessing mechanical-to-electrical energy conversion efficiency.

}, issn = {2050-7488}, doi = {10.1039/d5ta01846c}, author = {Kushwaha, Vikash and Prajesh, Neetu and Gopal, Animesh and Sahoo, Supriya and Deswal, Swati and Kirana, Antonysylvester and Shanmuganathan, Kadhiravan and Zareba, Jan K. and Boomishankar, Ramamoorthy} } @article {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 {49703, title = {In situ solid-state synthesis of nitrogen-enriched porous carbon nanosheets from petroleum coke for lithium-ion hybrid capacitors}, journal = {Energy \& Fuels}, volume = {39}, year = {2025}, month = {MAY}, pages = {10053-10069}, type = {Article}, abstract = {

Lithium-ion capacitors (LICs) have emerged as a next-generation energy storage technology, offering a unique balance between the high energy density of lithium-ion batteries and the fast charge-discharge capability of supercapacitors. However, the development of high-performance anode materials remains a major challenge due to the trade-off between capacity, rate capability, and long-term cycling stability. Herein, we report a novel in situ solid-state synthesis approach for the scalable production of nitrogen-enriched porous carbon nanosheets (mBG1) from petroleum coke, an abundant industrial byproduct. The hierarchical porosity and optimized nitrogen functionalities of mBG1 facilitate rapid lithium-ion diffusion, enhanced electronic conductivity, and robust structural stability. Electrochemical characterization in lithium-ion half-cells demonstrates an exceptional specific capacity of 388 mAh g-1 at 0.1 A g-1, with an outstanding capacity retention of 92.7\% over 1000 cycles (261.2 mAh g-1) at 1 A g-1. To validate its practical applicability, a full LIC coin cell was fabricated using mBG1 as the anode and commercial super activated carbon (super AC) as the cathode, achieving a specific capacitance of 44 F g-1 at 1 A g-1, a high energy density of 93.29 Wh kg-1 at 0.5 A g-1, and an impressive power density of 20.34 kW kg-1 at 10 A g-1, with 74\% capacitance retention after 5000 cycles. The integration of ultrahigh nitrogen doping, hierarchical porosity, and scalable synthesis techniques offers a new pathway for designing next-generation lithium-ion capacitors with enhanced efficiency, stability, and economic viability. These findings establish mBG1 as a high-performance, scalable, and sustainable anode material for next-generation LICs, offering a transformative pathway for the valorization of petroleum coke in advanced energy storage applications.

}, issn = {0887-0624}, doi = {10.1021/acs.energyfuels.5c00716}, author = {Benoy, Santhi Maria and Das, Anoushka K. and Sarmah, Debashis and Pawar, Meenakshi and Shelke, Manjusha V. and Saikia, Binoy K.} } @article {49839, title = {Influence of hydrophilic/hydrophobic diols on the properties of polyurethane hydrogels: solvent-free one-pot synthesis}, journal = {Journal of Materials Chemistry B}, volume = {13}, year = {2025}, month = {SEP}, pages = {11010-11019}, type = {Article}, abstract = {

Herein, we report the design and synthesis of bio-degradable porous polyurethane hydrogels by a green, solvent-free, one-pot technique that can withstand physiological mechanical loads and aid in tissue regeneration. The hydrophilic/hydrophobic nature of the hydrogel was tuned using diols such as polycaprolactone diol (PCL) and polycarbonate diol (PCD), in combination with polyethylene glycol (PEG, MW approximate to 4000 g mol-1), 4,4 {\textquoteleft}-methylene bis(cyclohexyl isocyanate) (H12MDI) and hexanetriol (HT), which served as crosslinking agents. The structural characterizations of the hydrogels were performed using FT-IR as well as 1H and 13C high resolution magic angle spinning nuclear magnetic resonance (HR-MAS) spectroscopy. The utilization of various diols in the synthesis of the hydrogels enabled precise control over crystallinity, pore sizes, and customization of mechanical and degradation properties. These hydrogels exhibited tensile strength in the range of 0.22-1.48 MPa, while their compressive strength varied from 0.92 to 29.3 MPa. In vitro degradation profiles in the presence and absence of the enzyme Amano lipase PS revealed that the degradation process is contingent upon the specific diol present in the hydrogel. Furthermore, preliminary in vitro biological experiments confirmed the biocompatibility of the gels, indicating their potential as suitable substrates for drug delivery applications. This diverse library of gels can be shaped into specific forms, highlighting their promising applications as scaffolds and implants in drug delivery systems and tissue engineering.

}, issn = {2050-750X}, doi = {10.1039/d5tb00928f}, author = {Divakaran, Anumon V. and Nair, Sanoop B. and Karambe, Shivani S. and Wadgaonkar, Prakash P. and Nair, Kiran Sukumaran and Badiger, Manohar V.} } @article {49915, title = {Influence of ionic radius on structural, optical and multiferroic properties of RMnO3 [R= Y, Er, Yb] hexamanganites}, journal = {Physica B-Condensed Matter}, volume = {714}, year = {2025}, month = {OCT}, pages = {417496}, type = {Article}, abstract = {

The crystalline samples of YMnO3, ErMnO3, and YbMnO3 were synthesized by a conventional solid-state reaction technique. The single-phase hexagonal structure with the P63cm space group was verified by X-ray diffraction (XRD) study. Morphological studies show that the grains are uniform and closely packed, and that the grain size increases as the ionic radii of the rare-earth ions decrease of rare earth ions and the samples are in the stoichiometry. From the Diffused Reflectance Spectroscopy study, narrow optical band gap is observed for all the samples. Magnetic phase transitions, corresponding to the antiferromagnetic ordering, were detected for all samples. The Neel temperature was found to increase with the decrease of the ionic radii of A site element in RMnO3 (Y, Er, and Yb) samples. Ferroelectric hysteresis loops at room temperature as a function of applied electric fields reveal the leaky behaviour. The dielectric constant and dielectric loss tangent variation across different frequencies are also explored for these samples. A summary and discussion of the structural, optical, magnetic and ferroelectric properties, underlying physical mechanisms, the role of the rare earth ions, and the complex interactions in hexagonal manganites, are presented in this paper. This work emphasizes how systematic variation of A-site ionic radii influences the multiferroic properties of RMnO3, gaining thorough insights into structure-property relationships that are essential to design multifunctional materials.

}, keywords = {Antiferromagnetic, ferroelectric, Multiferroics, Perovskites, Photovoltaic, Recombination centers}, issn = {0921-4526}, doi = {10.1016/j.physb.2025.417496}, author = {Inchara, D. R. and Singh, Kirandeep and Sangole, Mayur and Murari, M. S. and Daivajna, Mamatha D.} } @article {49876, title = {Integrated flue gas CO2 capture and conversion to formate: a sustainable approach}, journal = {ChemSusChem}, volume = {18}, year = {2025}, month = {DEC }, type = {Article}, abstract = {

Industrial CO2 emissions, characterized by dilute streams and impurity complexity, demand energy-efficient mitigation strategies beyond conventional capture technologies. Here, an integrated CO2 capture and conversion (ICCC) system is reported employing a heterogenized iridium catalyst-hydroxyquinoline-ligated Cp*Ir-Cl immobilized on amine-functionalized silica-that directly converts CO2 from synthetic flue gas containing SOx, NOx, and O2 to formate with 100\% selectivity. The catalyst delivers remarkable activity, achieving turnover numbers up to 10,286 within 16 h. Density functional theory reveals that its square pyramidal geometry, induced by the hydroxyquinoline ligand, enhances Ir-N(ring) bond strength and electronic delocalization, thereby improving hydration energy, structural robustness, and catalytic efficiency. Importantly, the catalyst system demonstrates excellent durability, maintaining full activity over five regeneration cycles. Hydrogenation in a 1 M DABCO medium, followed by thermal decomposition of the amine-formate adduct at 150 degrees C, enables efficient lean amine regeneration, allowing subsequent flue gas capture and formate production without performance loss. This closed-loop strategy delivers a sustainable, contaminant-tolerant, and recyclable CO2-to-formate platform with strong promise for scalable industrial deployment.

}, keywords = {CO2 capture, flue gases, integrated capture and conversions, net zero future, Recycle}, issn = {1864-5631}, doi = {10.1002/cssc.202502039}, author = {Kumar, Rohit and Majumder, Supriyo and Singh, Chadrodai Pratap and Samanta, Chanchal and Newalkar, Bharat L. and Krishnamurty, Sailaja and Das, Raj Kumar} } @article {49913, title = {Interplay between genotoxic stress and STING activation in cellular senescence and inflammatory responses}, journal = {International Immunopharmacology}, volume = {164}, year = {2025}, month = {OCT}, pages = {115371}, type = {Article}, abstract = {

STING pathway is activated by endogenous or exogenous DNA damage and is known to trigger cell-intrinsic innate immunity. In this study, we demonstrated that the Peharmaline analog NDS101781 is a potent genotoxic molecule to trigger cellular senescence via innate immune-responsive STING activation. We found NDS101781 consistently modulated the expression of DDR markers including gamma-H2AX, Rad51, PARP1, ATM and MRE11 in breast cancer cells with concomitant amplification in the hallmarks of senescence along with STING signaling mediators which is intricately involved in NDS101781-mediated senescence activation as evidenced by significant reduction in the senescent population in si-TMEM173-transfected cells. In vitro findings proclaimed that STING activation by NDS101781 is crucial for p21-mediated senescence augmentation, a process regulated by ATM and p53 via a pathway independent of cGAS. Although STING is activated by both canonical and non-canonical manner, our mechanistic findings indicated that ATM played a crucial role in early activation of NDS101781 driven STING signaling via p53 activation and stimulation of pTBK1, NF-kappa B, and p-IRF3, through a non-canonical cascade in cGAS-independent mechanism. The results also indicated that interference of canonical and non-canonical STING activation, responsible for NF-kappa B stimulation leading to IL-6 generation. Intriguingly, the inhibition of ATM diminished senescence hallmarks; however, suppression of ATM as well as p21 neutralization triggered apoptotic cascade and thus regulating the SASP factors. However, transient knockdown of p21 moderately instigated the apoptotic mediators underscoring that NDS101781 mediated senescence induction delayed programmed cell death under intact p21 conditions. Moreover, pharmacokinetics of NDS101781 confirmed its excellent half-life in a preclinical model and in vivo studies confirmed that NDS101781 significantly inhibited tumor growth in a syngeneic aggressive 4T1-p53 breast cancer model.

}, keywords = {ATM, IL-6, Peharmaline, Senescence, STING}, issn = {1567-5769}, doi = {10.1016/j.intimp.2025.115371}, author = {Dash, Anshurekha and Kulkarni, Akshay S. and Irshad, Faisal and Masal, Dattatraya P. and Manhas, Diksha and Nandi, Utpal and Reddy, D. Srinivasa and Goswami, Anindya} } @article {49552, title = {Investigating the visible range photoresponse of an organic single-crystal analogue of the green fluorescent protein}, journal = {Nanoscale}, volume = {17}, year = {2025}, month = {APR}, pages = {8614-8623}, type = {Article}, abstract = {

The growing demand for lightweight, flexible, semi-transparent and low-cost photodetectors (PDs) in wearable electronics and optical communication systems has prompted studies to investigate organic materials as feasible alternatives to conventional inorganic PDs. However, modern organic PDs often face responsivity, detectivity, and photoresponse speed limitations, particularly in the visible range. Here, we present the photoresponse of an organic single-crystal analogue of the green fluorescent protein (GFP) chromophore photodetector, fabricated on a silicon nitride substrate. A significant increase in photocurrent was detected upon illumination with visible wavelengths (532 nm, 630 nm, and halogen light). A remarkably consistent and repeatable photoresponse was obtained during the ON and OFF illumination cycles. The device showed the dependence of photocurrent on the applied bias voltages. The measured photocurrent, responsivity, detectivity, rise time, decay time, noise equivalent power and external quantum efficiency are studied for different wavelengths. Strikingly, the fabricated device demonstrates excellent performance in the visible region compared to several conventional organic and inorganic PDs. The observed responsivity and detectivity values for the device are 98 mA W-1 and 7.94 x 108 Jones, respectively. Furthermore, the device also exhibits rapid photoresponse dynamics with a rise time of 180 ms and a decay time of 152 ms. The excellent photodetection features indicate that the single crystal GFP could serve as a versatile broadband material for future applications in optoelectronics.

}, issn = {2040-3364}, doi = {10.1039/d4nr05252h}, author = {Virole, Vishal and Dabke, Niteen and Verma, Sahil and Kumar, Ajay and Pandya, Rinu and Husale, Sudhir and Vanka, Kumar and Gonnade, Rajesh and Kanawade, Rajesh} } @article {49962, title = {Ionic liquid driven Refined functionalization of graphene oxide: An insight via combined experiments and theory}, journal = {Carbon}, volume = {243}, year = {2025}, month = {AUG}, pages = {120571}, type = {Article}, abstract = {

Functionalizing graphene and its derivative, or doping them with heteroatoms can significantly enhance their optoelectronic, photonic and bio-photonic properties; but controlled and tuneable functionalization of GO is still in their infancy. Herein, a series of functionalized graphene oxide (FGO) are synthesized solvothermally by using task specific ionic liquids (ILs) of varying alkyl chain length; 1-alkyl-3-methylimidazolium tetra fluoroborate, [Cnmim]BF4 (n = 2, 4 etc.). ILs are not only used as a solvent but also as source of fluoride ion for functionalization of GO. A drastic decrease in the oxygen containing functional groups of GO upon fluorination is evidenced by FTIR, Raman, XPS, EDX analysis and electrochemical study. Solid state 19F NMR spectroscopy indicates that, fluorination happens exclusively in edge positions, not on basal planes. Band gap of FGOs decreases along with increasing the chain length of ILs. Further, intense blue emission and high photocatalytic efficiency, using crystal violet as model dye are observed for all the FGOs under visible light. The tailored functionalization by varying alkyl chain length of IL has been rationalized by DFT calculations. It has been realized that owing to the ease of dissociation for [Cnmim]BF4 complexes with n \>= 10; greater extent of fluorination/functionalization of GO has been observed. Elimination of a non-covalent interaction on increasing the alkyl chain length has been attributed for lower stability of higher chain length IL which in turn renders ease of dissociation. Easy yet controlled functionalization of GO using tuneable ILs can open a new direction in the environment friendly synthesis and applications.

}, keywords = {fluorination, Functionalization, graphene oxide, ionic liquids, Luminescence, Photocatalysis}, issn = {0008-6223}, doi = {10.1016/j.carbon.2025.120571}, author = {Kewat, Heera Lal and Dutta, Debangkana and Ajithkumar, T. G. and Chavda, Dhruvil and Sharma, Rahul Kumar and Tiwari, Mrityunjay K. and Sidiqi, Ubaid and Manna, Moutusi and Nigam, Sandeep and Ghosh, Pushpal} } @article {49830, title = {Ipso-cyclization via a dienone-phenol rearrangement of alkynyloxy cyclohexadienones for the synthesis of oxaspiro[4.5]trienones}, journal = {Journal of Organic Chemistry}, volume = {90}, year = {2025}, month = {SEP}, pages = {13399-13406}, type = {Article}, abstract = {

Herein, we present a convenient method to access oxaspiro[4.5]trienone compounds from alkynyloxy cyclohexadienones. The reactions are catalyzed by Lewis/Bronsted acids, yielding the desired products in moderate to good yields under very mild reaction conditions. The process, which involves a dienone-phenol rearrangement, is characterized by its simplicity and the absence of any additional activators. The synthesis of the oxaspiro[4.5]trienone compounds is amenable to gram-scale reactions along with subsequent product transformations, making this approach practical and attractive.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.5c00893}, author = {Rai, Archana and Kundu, Ananya I. and Shukla, Ekta and Das, Utpal} } @article {49676, title = {Long cycling stability imparted to li-ion batteries by conjugated polymers with low dihedral angles and high electron density on functional groups}, journal = {ACS Applied Polymer Materials}, volume = {7}, year = {2025}, month = {JUN}, pages = {7719-7728}, type = {Article}, abstract = {

In conjugated polymers, dihedral angles at bonds connecting their monomers impact the polymers{\textquoteright} properties such as the packing of the polymer chains, bandgap, and conductivity. These properties are expected to impact the performance of rechargeable Li-ion batteries because the Li-ion transport and conductivity of the polymers are two important parameters. To understand this, we designed and synthesized two polymers with two different dihedral angles. The polymer, Poly(EDOT-DPP), comprising diketopyrrolopyrrole (DPP) and ethylenedioxythiophene (EDOT) as monomers, showed a low dihedral angle of 2 degrees. On the other hand, the polymer, Poly(EDOT-i-Ind), comprising EDOT and i-Indigo (i-Ind) showed a dihedral angle of 17 degrees. Density functional theory (DFT) studies showed that the electron density at the carbonyl moiety of EDOT-DPP is higher than that of EDOT-i-Ind. This resulted in a higher Li+ binding energy of -3.665 eV for EDOT-DPP and a lower Li+ binding energy of -3.464 eV for EDOT-i-Ind. Battery electrodes were fabricated using either Poly(EDOT-DPP) or Poly(EDOT-i-Ind) with multiwalled carbon nanotubes as conducting fillers in the absence of any binders. The Li+ ion diffusion coefficient ( D Li + ) measured for the as prepared batteries based on Poly(EDOT-DPP) was found to be 3.9 x 10-19 cm2/s, which is slightly higher than that found for Poly(EDOT-i-Ind). However, after 2000 cycles, the D Li + increased by about two orders of magnitude for both polymers. Due to the low dihedral angle in the case of Poly(EDOT-DPP), the D Li + was found to be 21\% higher than that of Poly(EDOT-i-Ind). The higher binding of Li+ ions with Poly(EDOT-DPP) and Li+ ion diffusion improved the specific capacity and cycling performance of batteries fabricated with this polymer. At a current density of 0.2 A/g, Poly(EDOT-DPP) showed a 39\% higher specific capacity than the Poly(EDOT-i-Ind) polymer after 2000 cycles. The batteries also showed stable performance over 2000 cycles with an insignificant decrease in specific capacity.

}, keywords = {dihedral angle, diketopyrrolopyrrole, i-indigo, Li-ion battery, Li-ion transport}, issn = {2637-6105}, doi = {10.1021/acsapm.4c04072}, author = {Kargude, Radhakisan and Srinivasalu, Hari Haran and Devasia, George and Krishnamurty, Sailaja and Krishnamoorthy, Kothandam} } @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 {49581, title = {Low-cost gelatin/collagen scaffolds for bacterial growth in bioreactors for biotechnology}, journal = {Applied Microbiology and Biotechnology}, volume = {109}, year = {2025}, month = {MAY}, pages = {113}, type = {Article}, abstract = {

A wide array of pharmaceutical and industrial products available in today{\textquoteright}s market stems from bioreactors. Meeting the escalating demand for these products necessitates significant enhancements in biotechnological processes. This study focuses on developing cost-effective scaffolds designed explicitly for use within bioreactors, employing commonly used polymers such as gelatin and collagen. Bacterial proliferation assays involving Escherichia coli, Staphylococcus aureus, and Pseudomonas aeruginosa were conducted to assess the effectiveness of these scaffolds. The scaffolds were produced by electrospinning polymeric solutions with varying concentrations of gelatin and collagen and were characterized using scanning electron microscopy, Fourier transform infrared spectroscopy, differential scanning calorimetry, and thermogravimetric analysis. Results revealed that scaffolds with 15\% gelatin increased the 24-h proliferation of S. aureus, P. aeruginosa, and E. coli by 52\%, 35\%, and 20\%, respectively. In the case of E. coli, scaffolds with lower gelatin concentrations (1-10\%) were more effective, leading to 35-55\% proliferation growth. These findings highlight the potential application of gelatin/collagen scaffolds in fabricating industrial products derived from these bacteria.

}, keywords = {Bacterial cell proliferation, collagen, gelatin, Polymeric electrospinning, scaffolds}, issn = {0175-7598}, doi = {10.1007/s00253-025-13491-5}, author = {Pompa-Monroy, Daniella Alejandra and Vera-Graziano, Ricardo and Dastager, Syed G. and Perez-Gonzalez, Graciela Lizeth and Bogdanchikova, Nina and Iglesias, Ana Leticia and Villarreal-Gomez, Luis Jesus} } @article {49693, title = {Magnesium-catalyzed primary, secondary, and tertiary amide hydroboration}, journal = {Inorganic Chemistry}, volume = {64}, year = {2025}, month = {JUN}, pages = {13405-13414}, type = {Article}, abstract = {

Catalytic hydroboration of amides is highly important because the resultant amines are commonly found in natural products, pharmaceuticals, agrochemicals, dyes, and other applications. In comparison to the conventional reduction of amides using (over)stoichiometric reductants, hydroboration of amides using magnesium compounds represents a green and sustainable approach because magnesium is both Earth abundant and environmentally benign. However, there is only one report on magnesium-catalyzed deoxygenative hydroboration of secondary and tertiary amides. Here, we describe the synthesis and structural authentication of two new magnesium compounds (1 and 2) featuring a flexible PNP ligand and the utilization of 2 as a catalyst for the pinacolborane-mediated reduction of primary, secondary, and tertiary amides to amines. The reaction scope is explored, and a mechanism is proposed based on experimental and theoretical insights.

}, issn = {0020-1669}, doi = {10.1021/acs.inorgchem.5c01787}, author = {Mahata, Biplab and Devaraj, V. and Dash, Soumya Ranjan and Gonnade, Rajesh G. and Vanka, Kumar and Sen, Sakya S.} } @article {49518, title = {Magnesium-ligand cooperation in breaking the O-H and C-H bonds of water and diazoalkane}, journal = {Organometallics}, volume = {44}, year = {2025}, month = {MAR}, pages = {875-881}, type = {Article}, abstract = {

In our previous paper, we reported that the reaction of a tridentate nacnac ligand with a pendant picolyl group, with KHMDS and MgI2, resulted in the formation of a homoleptic hexacoordinate magnesium compound. Here, we show that the analogous reaction of the ligand with CH3MgBr led to a heteroleptic magnesium bromide species (1). Attempts to generate the magnesium hydride species from 1 led to the dearomatization of the pyridine ring, and the resulting product was a magnesium hydroxide (3) presumably generated due to an adventitious amount of water. The reaction of the ligand with nBu2Mg afforded a unique dearomatized magnesium species (2) in high yield. Theoretical calculations reveal the presence of a nonbonding orbital on the magnesium, susceptible to nucleophilic attack. Indeed, the reaction of 2 with H2O/D2O cleaves the O-H/D bond via magnesium-ligand cooperation and generates a magnesium hydroxide (4 and 5). In addition, 2 reacts with Me3SiCHN2 and cleaves the C-H bond to generate another unusual, well-defined magnesium compound with a bridging isocyanide moiety (6) via migration of the SiMe3 group from the carbon to the nitrogen atom. The latter can be described as a dimer of magnesium isocyanamide. DFT calculations were performed to understand the electronic structures of the synthesized molecules.

}, issn = {0276-7333}, doi = {10.1021/acs.organomet.5c00031}, author = {Sharma, Vishal and Dash, Soumya Ranjan and Vanka, Kumar and Gonnade, Rajesh G. and Sen, Sakya S.} } @article {49618, title = {Methoxyl-containing hyper-crosslinked polymer from largely bio-based biphenyl methyl ether and its application in lithium-sulfur battery}, journal = {Reactive \& Functional Polymers}, volume = {207}, year = {2025}, month = {FEB}, pages = {106139}, type = {Article}, abstract = {

A new biphenyl methyl ether viz 2,2 {\textquoteleft},3,3 {\textquoteleft}-tetramethoxy-5,5 {\textquoteleft}-bis(methoxymethyl)-1,1 {\textquoteleft}-biphenyl (TBMB) was synthesized starting from vanillin via three-step reaction sequence. The self-polycondensation of TBMB by employing two Bronsted acid catalysts, viz, p- toluenesulfonic acid (PTSA) and trifluoromethanesulfonic acid (TFSA) led to the formation of organic hyper-crosslinked polymers (HCPs) containing built-in methoxyl groups. HCPs were characterized by FTIR, solid state 13 C NMR, XPS, XRD, TGA, BET, and FESEM analysis techniques. HCPs synthesized using PTSA (HCP-PTSA) and TFSA (HCP-TFSA) exhibited a Brunauer-Emmett-Teller (BET) surface area of 480 +/- 5 and 590 +/- 4 m2/g, respectively and consisted of hierarchical pore structures with both micropores and mesopores. HCP-TFSA was evaluated as an active coating layer on conventional polypropylene (PP) separator in lithium-sulfur batteries to suppress the polysulfide shuttling on account of the ability of methoxyl groups to anchor soluble polysulfide species via coordination. The significant polysulfide adsorption capacity and improved cycling stability with a capacity of 617.2 mAh g- 1 at 0.5C and 99\% capacity retention highlighted the potential of porous HCP containing built-in methoxyl groups in the development of attractive lithium-sulfur battery systems.

}, keywords = {Active coating layer, bio-based, Biphenyl methyl ether, Hyper-crosslinked polymer, lithium-sulfur battery, Methoxyl groups, Self-polycondensation}, issn = {1381-5148}, doi = {10.1016/j.reactfunctpolym.2024.106139}, author = {Wale, Apparav K. and Das, Anoushka K. and Patil, Nita R. and Shelke, V. Manjusha and Ambade, V. Ashootosh and Wadgaonkar, Prakash P.} } @article {49619, title = {Mimicking characteristics of cast iron for enhanced electrocatalytic dehydrogenation of methane}, journal = {Fuel}, volume = {381}, year = {2025}, month = {FEB}, pages = {133674}, type = {Article}, abstract = {

Enhancing the efficiency of methane dehydrogenation through chemical modification of electrocatalytic iron surfaces with impurities that resemble cast iron properties is demonstrated computationally using Density Functional Theory methodologies. Investigating methane dehydrogenation on thermally stable Fe surfaces with discrete planes and anchoring impurities such as Al, C, and Si minimized reduction barriers. Electrochemical treatment of methane on these robust surfaces yields clean hydrogen and carbon-based compounds, such as carbon nanomaterials and carbon black. As for the most efficient active sites for enhanced methane dehydrogenation, the active plane 100 with 5.5 \% C impurities and 0.51 eV reduction barrier is determined to be the most dependable, followed by the active plane 110 with 5.5 \% Si impurities and the lower 0.98 eV reduction barrier. Utilizing CI-NEB (Nudged Elastic Band), the dissociation barrier investigation established the electrolytic catalysts{\textquoteright} performance. This work paves the way for experimentalists and demonstrates the economic viability of Fe-based catalysts for the Catalytic Dehydrogenation of Methane.

}, keywords = {carbon black, Density Functional Theory (DFT), Dry methane reforming (DMR), Electrochemical methane dehydrogenation, Fe surface catalyst}, issn = {0016-2361}, doi = {10.1016/j.fuel.2024.133674}, author = {Verma, Tushar Singh and Devi, R. Nandini and Krishnamurty, Sailaja} } @article {49975, title = {Modulation in surface properties by Ni doping in Na2Ti3O7: effect on dry reforming of methane}, journal = {ACS Applied Engineering Materials}, volume = {3}, year = {2025}, month = {MAY}, pages = {1503{\textendash}1512}, type = {Article}, abstract = {

Dry reforming of CH4\ using CO2\ is considered as an excellent process for converting two greenhouse gases to platform chemicals. However, the challenge is severe coking as well as sintering and consequent deactivation in the absence of steam as in the more prevalent steam reforming. Here, we present a layered Ti-based oxide with appropriate basicity to facilitate CO2\ adsorption and active metal Ni incorporated in the lattice sites to minimize sintering. Ni-doped Na2Ti3O7\ was synthesized using the sol{\textendash}gel method and subsequently characterized and screened in dry reforming of methane. Characterization results indicate the successful formation of the monoclinic phase of Na2Ti3O7. The variant Na2Ni0.2Ti2.8O7, which contains a higher concentration of Ni, exhibited improved reducibility and basicity, as determined through H2-TPR and CO2-TPD analysis. The presence of hydroxide, carbonate, and bicarbonate species was confirmed via X-ray photoelectron spectroscopy (XPS) and diffuse reflectance infrared Fourier transformation (DRIFT) studies, leading to increased conversion of CH4\ and CO2\ over extended periods with the Na2Ti2.8Ni0.2O7\ catalyst. Basic Ti{\textendash}OH groups replenished under reaction conditions may play a vital role in reducing coke formation in this catalyst. Post-reaction characterization revealed phase transformations in low Ni content catalysts, as evidenced by X-ray diffraction (XRD) and RAMAN analysis. Additionally, the suppression of coke formation and morphological changes were assessed through thermogravimetric analysis (TGA) and field emission scanning electron microscopy (FESEM) analyses in Na2Ti2.8Ni0.2O7\ catalyst, respectively. The study highlighted the significant influence of elevated Ni concentrations on phase stability and conversion efficiency in the dry reforming of methane. This also evidences the importance of defects created by appropriate doping, which modulates the surface properties facilitating coke gasification.

}, doi = {https://doi.org/10.1021/acsaenm.5c00025}, author = {Ghodke, Seema R. and Devi, R. Nandini} } @article {49985, title = {Molecular determinants of Neu5Ac binding to a tripartite ATP independent periplasmic (TRAP) transporter}, journal = {Elife}, volume = {13}, year = {2025}, month = {FEB}, type = {Article}, abstract = {

N\ -Acetylneuraminic acid (Neu5Ac) is a negatively charged nine-carbon amino sugar that is often the peripheral sugar in human cell-surface glycoconjugates. Some bacteria scavenge, import, and metabolize Neu5Ac or redeploy it on their cell surfaces for immune evasion. The import of Neu5Ac by many bacteria is mediated by tripartite ATP-independent periplasmic (TRAP) transporters. We have previously reported the structures of SiaQM, a membrane-embedded component of the\ Haemophilus influenzae\ TRAP transport system, (Currie et al., 2024). However, none of the published structures contain Neu5Ac bound to SiaQM. This information is critical for defining the transport mechanism and for further structure-activity relationship studies. Here, we report the structures of\ Fusobacterium nucleatum\ SiaQM with and without Neu5Ac. Both structures are in an inward (cytoplasmic side) facing conformation. The Neu5Ac-bound structure reveals the interactions of Neu5Ac with the transporter and its relationship with the Na+\ binding sites. Two of the Na+-binding sites are similar to those described previously. We identify a third metal-binding site that is further away and buried in the elevator domain. Ser300 and Ser345 interact with the C1-carboxylate group of Neu5Ac. Proteoliposome-based transport assays showed that Ser300-Neu5Ac interaction is critical for transport, whereas Ser345 is dispensable. Neu5Ac primarily interacts with residues in the elevator domain of the protein, thereby supporting the elevator with an operator mechanism. The residues interacting with Neu5Ac are conserved, providing fundamental information required to design inhibitors against this class of proteins.

}, doi = {10.7554/eLife.98158.}, author = {Goyal, Parveen and Dhanabalan, KanagaVijayan and Scalise, Mariafrancesca and Friemann, Rosmarie and Indiveri, Cesare and Dobson, Renwick C. J. and Vinothkumar, Kutti R. and Ramaswamy, Subramanian} } @article {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 {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 {49598, title = {NiFeMo layered triple hydroxide and MXene heterostructure for boosted oxygen evolution reaction in anion exchange membrane water electrolysis}, journal = {Nanoscale}, volume = {17}, year = {2025}, month = {MAY}, pages = {12094-12107}, type = {Article}, abstract = {

Efficient, low cost and stable electrocatalysts are highly desirable for overcoming the sluggish kinetics of the oxygen evolution reaction (OER) in alkaline water electrolysis for hydrogen production. Interfacial engineering of heterostructures is quite beneficial for improving charge transfer efficiency at the interface. In this context, heterostructures of layered triple hydroxides (LTHs) and MXenes have shown great potential as OER electrocatalysts owing to their 2D-2D structure and unique physiochemical properties. Coupling LTHs with MXenes can potentially enhance their conductivity and stability, thereby boosting OER activity. In this study, we report a heterointerface between NiFeMo-LTH on Ti3C2Tx MXene, which exhibited superior catalytic activity and stability in alkaline freshwater and seawater, reducing the activation energy. Importantly, the heterostructure achieved a current density of 100 mA cm-2 at the cost of 292 mV and 340 mV overpotentials in alkaline saline water and real seawater, respectively, and showed robustness over 100 h without hypochlorite formation in alkaline real seawater, exhibiting corrosion-resistant behaviour. Moreover, NiFeMo-LTH/MXene explored in alkaline anion exchange membrane water electrolyzer (AEMWE) achieved a current density of 750 mA cm-2 at 2.16 V cell voltage at an operating temperature of 60 degrees C with an energy efficiency of 60.5\%. Raman analysis and XPS analysis post stability test demonstrated easy electron transfer from LTH to MXene at the heterointerface, leading to the formation of NiOOH electroactive species that facilitated the OER activity.

}, issn = {2040-3364}, doi = {10.1039/d5nr00419e}, author = {Pal, Santanu and Chaturvedi, Ekta and Das, Chandni and Sinha, Nibedita and Ahmed, Tanbir and Roy, Poulomi} } @article {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 {49591, title = {Novel extruded palm tree wood-derived activated carbon-based SrTiO3 for wastewater treatment in continuous system: evaluation of synthesis condition, LHSV, and pH}, journal = {Inorganic Chemistry Communications}, volume = {173}, year = {2025}, month = {MAR}, pages = {113898}, type = {Article}, abstract = {

SrTiO3 is a potential photocatalyst, while its wide band gap hinders sufficient adsorption of visible light and decreases the photocatalytic efficiency. Herein, activated carbon (AC) derived from palm tree wood was functionalized with varying weight percentages (10, 20, and 30 wt\%) of SrTiO3 nanoparticles and evaluated for its efficiency in the photodegradation of Cefixime (CFX) in a continuous system. The effects of activation temperature on the morphological properties of AC, along with operational parameters such as Liquid Hourly Space Velocity (LHSV) (3, 4, and 5 h- 1) and the pH of the initial CFX solution (4, 6.5, and 9), were examined to optimize the photocatalytic performance. The photocatalyst activated at 900 degrees C with 30 wt\% SrTiO3 exhibited the highest activity, and were characterized by XRD, BET, FE-SEM, and UV-Vis analyses. Optimal conditions for CFX degradation were found at pH of 6.5 and LHSV of 5 h- 1. Additionally, hydroxyl (center dot OH) and superoxide (center dot O2-) radicals were identified as key species in CFX photodegradation process. Hence, these findings contribute to the design and development of highly-active continuous photocatalytic system.

}, keywords = {antibiotic, Continuous Photocatalytic Degradation, environmental remediation, Risk Management, Wastewater treatment}, issn = {1387-7003}, doi = {10.1016/j.inoche.2025.113898}, author = {Ghandour, Raymond and Ali, Ali B. M. and Kadhum, Abdul Amir H. and Diab, M. A. and El-Sabban, Heba A. and Shah, Mumtaj and Nagar, Harsha} } @article {49949, title = {Novel quinolinyl-thiazole hybrid candidates bearing N-methyl piperazine as potential anti-breast cancer agents: synthesis, biological evaluation and computational studies}, journal = {RSC Advances}, volume = {15}, year = {2025}, month = {NOV }, pages = {47203-47219}, type = {Article}, abstract = {

Breast cancer remains one of the most pressing global health concerns, emphasizing the urgent need for novel and effective therapeutic strategies. In this context, a new series of quinolinyl-thiazole derivatives incorporating an N-methyl piperazine moiety (6a-6h) was rationally designed, synthesized, and thoroughly characterized using FT-IR, 1H NMR, 13C NMR, and mass spectral methods. The anti-breast cancer potential of these compounds was assessed against the triple-negative breast cancer cell line MDA-MB-231, exhibiting IC50 values ranging from 1.415 +/- 0.16 to 2.898 +/- 0.27 mu M, thus highlighting their anti-breast cancer potential. Within the series, compound 6a showed the highest potency with the lowest IC50 value, whereas 6f displayed the weakest activity. Molecular docking of quinolinyl-thiazole derivatives (6a, 6f, 6g and 6h) against epidermal growth factor receptor tyrosine kinase revealed binding affinities correlating with their in vitro cytotoxicity on MDA-MB-231 cells, with 6a showing the strongest activity (IC50 = 1.415 +/- 0.16 mu M; docking score = -10.0 kcal mol-1) via key hydrogen bonds, electrostatic contacts, and hydrophobic interactions. Furthermore, in silico ADME evaluation and drug-likeness analysis indicated that all synthesized derivatives possessed favorable pharmacokinetic properties. Density functional theory analysis of the most potent compound (6a) offered valuable insights into its structural characteristics, electronic distribution, and chemical reactivity via optimized geometry, frontier molecular orbital and molecular electrostatic potential surface studies. The results suggested that the synthesized compounds are promising candidates for further investigation.

}, doi = {10.1039/d5ra06350g}, author = {Dhongade, Archana B. and Shah, Umang and Patil, Bhausaheb N. and Shinde, Rahul A. and Sarkar, Ruma and Mukherjee, Adrija and Mali, Suraj N. and Adole, Vishnu A. and Pawar, Thansing B.} } @article {49882, title = {Optimisation of metallic bismuth nanoparticle supported Pt-Bi(x\%)/C hybrid electrocatalyst for cost effective and efficient hydrogen production in alkaline media}, journal = {International Journal of Hydrogen Energy}, volume = {161}, year = {2025}, month = {AUG}, pages = {150699}, type = {Article}, abstract = {

The present study employed a simple mechanochemical method followed by 24-h ultrasonication to synthesize oxide-free metallic bismuth (Bi) nanoparticles. This was further used to synthesize a Pt-Bi(x\%)/C (NC-x) hybrid electrocatalyst for the hydrogen evolution reaction in alkaline media. X-ray photoelectron spectroscopy and contact angle measurements reveal, Bi modifies the electronic structure and surface morphology of the Pt/C electrocatalyst, thus enhancing reaction kinetics and active site availability. The relative three-electrode study reveals that optimised NC-20 electrocatalyst reduces the overpotentials by 10.44 \% and enhances the current density by 53 \% compared to commercial Pt/C. The practical applicability of the NC-20 electrocatalyst was studied with the 13 cm2 single cell anion exchange membrane electrolyser. The catalyst demonstrates promising performance where the current density of NC-20//IrO2 relatively increases by 22.6 \% compared to standard Pt/ C//IrO2, and shows continuous production and stable performance when monitored for 30 h.

}, keywords = {AEM, Bismuth nanoparticles, electrocatalyst, Full cell electrolysis, hydrogen evolution reaction, water electrolysis}, issn = {0360-3199}, doi = {10.1016/j.ijhydene.2025.150699}, author = {Dokhe, Revati and Ugale, Atul and Dube, Onkar and Varpe, Vaibhav and Galave, Chaitanya and Hattale, Gangadhar and Kadam, Rutuja and Virole, Vishal and Kumar, Ajay and Husale, Sudhir and Natu, Varun and Shevate, Rahul and Kanawade, Rajesh} } @article {49834, title = {Palladium(II)-catalyzed desymmetrization of 2-alkynylbenzoate-tethered cyclohexadienones for the synthesis of polycyclic compounds}, journal = {Organic Letters}, volume = {27}, year = {2025}, month = {MAY}, pages = {5429-5434}, type = {Article}, abstract = {

Pd-catalyzed cascade cyclization of 2-alkynylbenzoate-tethered cyclohexadienone was developed for the single step synthesis of isocoumarin-fused dihydrochromenones. This highly atom economical method proceeds via 6-endo-dig cyclization of tert-butyl benzoate with a tethered alkyne. By modulating the reaction solvent and metal catalyst, the methodology was diverted for the purposeful synthesis of either of the E/Z tetra-substituted alkenes.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.5c01396}, author = {Rai, Archana and Bajpai, Priyam and Gamidi, Rama Krishna and Vanka, Kumar and Das, Utpal} } @article {49622, title = {Phosphite mediated molecular editing via switch to meta-C-H alkylation of isoquinolines: emergence of a distinct photochemical [1,3] N to C rearrangement}, journal = {Chemical Science}, volume = {16}, year = {2025}, month = {JAN}, pages = {1809-1818}, type = {Article}, abstract = {

The isoquinoline core is present in one of the largest subsets of bioactive natural products. The multifunctional isoquinoline core exerts diverse bioactivity, resulting in the development of numerous isoquinoline-based drugs and molecules that are currently under clinical trials. We developed a new approach for phosphite-mediated [1,2] alkyl migration for an overall ortho-C-H alkylation via N-alkylation of isoquinoline. Tuning the phosphite-mediated protocol to switch the site selectivity would expedite direct and diverse multi-C-H bond functionalization. We report a new approach starting with a simple N-alkylation of isoquinoline with sterically and electronically diverse alkyl bromides for their phosphite-mediated photochemical [1,3] N to C rearrangement followed by a rearomatization sequence that leads to meta-C-H (C4) alkylation. Combined experimental and computational studies unveiled the emergence of an unprecedented C-N bond cleavage pathway from the singlet excited state of the enamine-type intermediate. Our radical bond-cleavage pathway favors substituted alkyl group migration that complements the recently successful meta-alkylation methods with smaller and more reactive electrophiles. This switch in site selectivity via tuning the phosphite-mediated protocol resulted in sequential C-H difunctionalization of isoquinoline including regiodivergent ortho, meta-dialkylations of isoquinolines.

}, issn = {2041-6520}, doi = {10.1039/d4sc07127a}, author = {Rani, Soniya and Ray, Anuj Kumar and Dewangan, Devendra Kumar and Patil, Nita Aruna Ramchandra and Aarthika, M. and Paul, Ankan and Maity, Pradip} } @article {49492, title = {Photocatalytic hydrogen evolution by MoO3@g-C3N4 and MoO3@f-MWCNT nanocomposites in deionized and natural seawater under visible light}, journal = {ACS Applied Nano Materials}, volume = {8}, year = {2025}, month = {MAR}, pages = {7175-7189}, type = {Article}, abstract = {

Visible-light-driven photocatalysts are predominantly useful for converting solar to hydrogen energy via photocatalytic water-splitting reactions. The heterojunction composite materials have exhibited remarkable advantages for visible-light photocatalytic H-2 evolution. We have successfully synthesized MoO3@f-MWCNT and MoO3@g-C3N4 nanocomposites and characterized them using PXRD, UV-DRS, Raman spectroscopy, XPS, PL, TRPL, FE-SEM, HR-TEM, BET, and photocurrent. The photocatalytic water-splitting efficiency of MoO3@f-MWCNT and MoO3@g-C3N4 was measured under visible light (lambda \>= 420 nm) irradiation using TEOA as a sacrificial reagent in DI water and natural seawater. The H-2 evolution rate in DI water for MoO3@f-MWCNT is 2313.56 mu mol g(-)(1) h(-)(1), and for MoO3@g-C3N4 is 2530.35 mu mol g(-1) h(-1) with an apparent quantum efficiency (AQE) of 6.38 and 6.93\%, respectively. In natural seawater, the H-2 evolution rate is 2632.20 and 2845.06 mu mol g(-1) h(-1), with an AQE of 7.21 and 7.77\%, respectively. The rate of H-2 evolution slightly increased in natural seawater than DI water. The Tafel slope values for MoO3@g-C3N4 and MoO3@f-MWCNT are 59 and 92 mV dec(-1), respectively. The lowest Tafel value of MoO3@g-C3N4 exhibited a faster rate of reaction. Thus, the surface interaction between the MoO3 and the porous g-C3N4 materials may create synergistic effects, which facilitate electron transport at the interface and significantly boost the photocatalytic activity. Thus, MoO3@g-C3N4 is a promising photocatalyst for renewable energy production.

}, keywords = {deionized water, electrochemicalHER, MoO3@f-MWCNT, MoO3@g-C3N4 nanocomposites, natural seawater, photocatalytic H-2 evolution}, doi = {10.1021/acsanm.5c00297}, author = {Kangutkar, Raju S. and Walko, Priyanka and Dhepe, P. L. and Nayaka, G. P. and Manjanna, J.} } @article {49623, title = {Photocatalytic oxidation of α-substituted amines to lactams/amides}, journal = {Advanced Synthesis \& Catalysis}, volume = {367}, year = {2025}, month = {FEB }, type = {Article}, abstract = {

We, herein, report a base free, photocatalytic decyanation of alpha-aminonitriles. A range of amides and lactams were obtained in 52-95\% yields. Control experiments indicate O2 as an amide/lactam oxygen source and the reaction (lactam formation) follows radical pathway via dioxetanimine species. This methodology also applied for alpha-ester/aldehyde substituted pyrrolidines in the presence of a base, probably via decarboxylation pathway.

}, keywords = {alpha-Aminonitriles, Decyanation, Dioxetanimine, Photocatalytic, pyrrolidine}, issn = {1615-4150}, doi = {10.1002/adsc.202400871}, author = {Kumar, Manish and Kumar, Pawan and Das, Utpal} } @article {49903, title = {Platinum-free electrocatalysts based on electrodeposited Co-Mn-Ni alloys for efficient electrocatalytic alkaline water splitting}, journal = {ACS Applied Energy Materials}, volume = {8}, year = {2025}, month = {AUG }, pages = {11633-11642}, type = {Article}, abstract = {

The development of a Pt-free electrocatalyst for efficient and stable water splitting is crucial for the commercialization of green hydrogen production. A low-cost electrocatalyst with good hydrogen and oxygen evolution activities (HER and OER, respectively) displaying long durability is the first step in this direction, and if the catalyst can be synthesized via an easy, convenient, and scalable procedure, that would be an added advantage. Multicomponent alloys, with their tunable compositions and abundant active sites, present a promising solution in this direction. Herein, a cost-effective CoMnNi (CMN) alloy is synthesized via electrodeposition and with optimized composition by tuning the electrolyte concentration and deposition potential to enhance electrocatalytic performance. The resulting single-phase alloy exhibits a high electrochemical surface area with an average particle size of similar to 4 nm, demonstrating excellent hydrogen evolution reaction (HER) and oxygen evolution reaction (OER) activities in 1 M KOH, with overpotentials of 121 mV at -10 mA cm-2 and 285 mV at 20 mA cm-2, respectively. Moreover, the catalyst exhibits remarkable stability, sustaining 100 h of operation at 100 mA cm-2. The CMN alloy also performs efficiently under harsh conditions, including 6 M KOH and alkaline seawater, in both symmetric and asymmetric cell configurations. This work highlights the potential of multicomponent alloys as durable, high-performance electrocatalysts for scalable water splitting, paving the way for sustainable hydrogen production.

}, keywords = {alkaline seawater, electrocatalysis, Electrodeposition, hydrogen evolution reaction(HER), multicomponentalloy, oxygen evolution reaction (OER), stability, watersplitting}, issn = {2574-0962}, doi = {10.1021/acsaem.5c01775}, author = {Chandran, M. Athira and Dutta, Pritha and Singh, Ashutosh K. and Prasad, Bhagavatula L. V.} } @article {49971, title = {Precision integrated identification of predictive first-trimester metabolomics signatures for early detection of gestational diabetes mellitus}, journal = {Cardiovascular Diabetology}, volume = {24}, year = {2025}, month = {NOV }, pages = {434}, type = {Article}, abstract = {

Background and aimGestational diabetes mellitus (GDM), a common pregnancy-related metabolic disorder, often goes undiagnosed until the second trimester, limiting early intervention opportunities. Given the higher prevalence of GDM in India, there is a critical need to investigate metabolomic biomarkers among Asian Indians, who exhibit greater insulin resistance and are predisposed to developing type 2 diabetes at an earlier age. This study aimed to identify early pregnancy metabolomic signatures predictive of GDM. MethodsAmong 2115 pregnant women from the STratification of Risk of Diabetes in Early pregnancy (STRiDE) study, we performed untargeted metabolomic profiling using UPLC-MS/MS at early pregnancy (\< 16 weeks) plasma samples from 100 women-comprising 50 with GDM and 50 normal (without GDM) based on oral glucose tolerance test (OGTT) at 24-28 weeks. Statistical and machine learning approaches, including logistic regression and random forest (RF), were applied to identify GDM-associated metabolites and construct predictive models. Pathway enrichment analysis was conducted using KEGG database annotations. ResultsA total of 49 metabolites were significantly associated with GDM, primarily involving lipid classes such as phosphatidylcholines, sphingomyelins, and triacylglycerols. RF analysis identified a panel of eight metabolites that achieved best predictive performance (AUC 0.880; 95\% CI: 0.809-0.951) for GDM. When combined with conventional clinical risk factors, the integrated model showed comparable prediction of GDM with AUC 0.88;: 95\% CI: 0.810-0.952). Enrichment analysis highlighted dysregulated pathways including glycerophospholipid and sphingolipid metabolism, autophagy, and insulin resistance. ConclusionThis study demonstrates the utility of early-pregnancy metabolomic profiling for predicting GDM in Indian women. The eight-metabolite panel offers a promising tool for early risk stratification of GDM, warranting validation in diverse populations.

}, keywords = {First trimester, Gestational diabetes mellitus, Indian women, Mass spectrometry, Metabolomics, Prediction}, doi = {10.1186/s12933-025-02978-0}, author = {Sharma, Sapna and Subrahmanyam, Yalamanchili Venkata and Gupta, Payal and Vadivel, Sangeetha and Deepa, Mohan and Tandon, Ansh and Sreedevi, Sreekumar and Ram, Uma and Narad, Priyanka and Parmar, Dharmeshkumar and Anjana, Ranjit Mohan and Raghunathan, Anu and Balasubramanyam, Muthuswamy and Mohan, Viswanathan and Sengupta, Abhishek and Adamski, Jerzy and Saravanan, Ponnusamy and Panchagnula, Venkateswarlu and Usharani, Dandamudi and Gokulakrishnan, Kuppan} } @article {49926, title = {Precursor-dependent heteroatom diversity in luminescent carbon quantum dots: their impact on physicochemical properties and free radical scavenging and antibacterial activities}, journal = {Langmuir}, volume = {41}, year = {2025}, month = {SEP}, pages = {24281-24294}, type = {Article}, abstract = {

The fabrication of a multifunctional carbon quantum dot (CQD) from a novel carbon source is still continuing to be demanding and fascinating. The carbon precursor plays a crucial role in developing any particular properties of a CQD to suit a specific application. In this study, green (Rhus chinensis fruits) as well as chemical-based (ascorbic acid and urea) carbon sources were used for the fabrication of CQDs using a simple, cost-effective, and eco-friendly method. The various physicochemical and optical properties of R. chinensis fruit-derived CQD (CQD-RCF) and urea-assisted ascorbic acid-derived CQD (CQD-AAU) were thoroughly investigated by using multiple characterization techniques such as XRD, TEM, HR-TEM, Raman, XPS, FT-IR, UV-vis, PL, and zeta potential. The synthesized CQDs were screened for antioxidant properties by a DPPH assay and antibacterial activity by the agar tip-well method. Both of these synthesized CQDs exhibited a variety of dissimilarities regarding their heteroatom compositions and surface functional groups, which subsequently led to an enhanced DPPH radical scavenging efficacy of CQD-AAU and a declared antibacterial efficacy of CQD-RCF. Therefore, the outcome of this study shows that the physicochemical properties and functionalities of CQDs are influenced by the chemical composition of the precursor material.

}, issn = {0743-7463}, doi = {10.1021/acs.langmuir.5c02171}, author = {Konwar, Pollab Mohan and Devi, Suman and Pandey, Satish Kumar and Devi, Khomdram Sandhyarani and Devi, Ayekpam Bimolini and Luwang, Meitram Niraj} } @article {49840, title = {Pushing the boundaries of pnictogen-bonding organocatalysis: a clash of Sb(III) versus Bi(III)}, journal = {ChemPhysChem}, volume = {26}, year = {2025}, month = {AUG }, pages = {e202500265}, type = {Article}, abstract = {

The sigma-hole-mediated noncovalent organocatalysis involving the pnictogen (Pn) elements has thus far been explored mostly from nitrogen to antimony, with antimony identified as the most effective catalyst. Herein, density functional theory calculations have been carried out to demonstrate that tri-aryl (Ar)-substituted bismuth(III) complexes can outperform their antimony counterparts in both anion (Cl-) binding and catalytic activity. Using a range of computational methods, a good correlation between the sigma-hole strength, chloride binding affinity, and the reaction barrier is established. Notably, the findings reveal that dispersion interactions are the dominant force in catalysts with weaker sigma-holes, while electrostatic interactions prevail in catalysts with stronger sigma-holes (for the anion abstraction step). In all cases, Bi(III) catalysts emerge as the winner over the Sb(III) analogues. Additionally, beyond the primary Pn. . .Cl interactions, several secondary interactions such as Cl. . .H/F-C(Ar) and Cl-. . . H-C(Si-TBS) also play a significant role in stabilizing the transition states.

}, keywords = {Antimony, Bismuth, organocatalysis, pnictogen, sigma (sigma) holes}, issn = {1439-4235}, doi = {10.1002/cphc.202500265}, author = {Sharma, Jyoti and Dash, Soumya Ranjan and Vanka, Kumar} } @article {49701, title = {Recycling textile dyeing effluent through ozonation: an environmentally sustainable approach for reducing freshwater and chemical consumption and lowering operational costs}, journal = {Journal of Cleaner Production}, volume = {510}, year = {2025}, month = {JUN}, pages = {145641}, type = {Article}, abstract = {

Dyeing operations in textile industries require large quantities of freshwater, which creates handling challenges and generates wastewater with high organic load that is difficult to treat and incurs high treatment costs. Minimizing freshwater consumption is essential for adopting sustainable practices. A limited number of studies are available in the literature exploring the possibility of recycling dyeing effluent through ozonation as an ecofriendly approach. Therefore, in the present work, the recycling of effluents obtained after dyeing with Reactive Red 198 (RR198) and Reactive Blue 21 (RB21) dyes through ozonation treatment has been studied. Nearly complete decolourization with COD removal efficiency of 32 \% was obtained for both dye effluents after 15 min of ozonation. The qualities of recycled dyed fabrics were compared to fresh water-dyed fabrics through spectrophotometric analysis and colour fastness tests. These qualities for both dyed fabrics with recycled effluent were found to be either in excellent or good category after each recycle. Comparative analysis of freshwater and chemical requirements, along with cost savings, was conducted over four dyeing attempts. The study revealed significant savings with recycled effluent dyeing including 60 \% reduction in fresh water usage and 75 \% in salt consumption compared to conventional freshwater dyeing. Thus, recycling textile dyeing effluent through ozonation treatment was found to be a resource efficient approach. This approach not only significantly reduces wastewater volumes but also freshwater demand without compromising the colour-related qualities of dyed fabrics. Additionally, it minimizes operational expenses, thereby, supporting textile industry{\textquoteright}s shift toward sustainable practices.

}, keywords = {Chemical saving, Freshwater consumption, Ozonation, Recycling, Textile industry effluent}, issn = {0959-6526}, doi = {10.1016/j.jclepro.2025.145641}, author = {Deogaonkar-Baride, Smita and Koli, Mitesh and Ghuge, Santosh P.} } @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 {49575, title = {SANS and SAXS investigation of the melt state structure in disentangled ultrahigh molecular weight polyethylene}, journal = {ACS Macro Letters}, volume = {14}, year = {2025}, month = {MAR}, pages = {349-353}, type = {Article}, abstract = {

Disentangled ultrahigh molecular weight polyethylene exhibits a time-dependent increase in rheology modulus when molten. This originates from its kinetically evolving heterogeneous microstructure consisting of disentangled and entangled regions. We report a quantitative analysis of this microstructure using X-rays and neutrons that capture the signatures of these regions. We analyze the absolute intensities to obtain the volume fraction and size distribution of the disentangled domains in the melt. Employing neutrons, we follow the changes in these parameters with time. The trends are qualitatively similar to those of the previous rheological observations. Our methodology also provides an experimental verification of the theoretical report by McLeish, T. C. B. Soft Matter 2007, 3 (1), 83-87, which predicts the presence of high density disentangled domains in a low density entangled matrix. The analysis presented here is a useful instrument for unveiling the origin of differences in the properties of polymers obtained through different processing routes.

}, doi = {10.1021/acsmacrolett.5c00100}, author = {Sharma, Aakash and Kruteva, Margarita and Willner, Lutz and Romano, Dario and Porcar, Lionel and Dulle, Martin and Zhou, Fuhai and Rastogi, Sanjay and Richter, Dieter} } @article {49567, title = {Separation of isomers of chiral thiourea derivatives via spontaneous resolution and rationale of molecular recognition}, journal = {CrystEngComm}, volume = {27}, year = {2025}, month = {FEB}, pages = {1240-1247}, type = {Article}, abstract = {

Enrichment of enantiomers during crystallization of racemic thiourea derivatives was investigated. The spontaneous resolution of a chiral thiourea derivative via preferential crystallization is attributed to thermodynamic stability when molecules of identical chirality bind with each other in the crystal lattice. Single crystal X-ray analysis reveals the interactions responsible for self-recognition of molecules of the same chirality in the unit cell. The tendency of the thiourea derivative to form a conglomerate is supported by IR spectroscopy, thermal analysis and computational studies.

}, doi = {10.1039/d4ce01226g}, author = {Dwivedi, Astha M. and Gonnade, Rajesh G. and Sahoo, Suban K. and Bedekar, Ashutosh V.} } @article {49679, title = {Steric hindrance modulated efficient thermally activated delayed fluorescence with non-linear optical, ferroelectric and piezoelectric properties}, journal = {Chemical Science}, volume = {16}, year = {2025}, month = {JUL}, pages = {11989-11998}, type = {Article}, abstract = {

Multi-carbazole-based benzonitrile systems are efficient thermally activated delayed fluorescence (TADF) materials for organic light-emitting diodes (OLEDs). However, they suffer from low PLQY due to the large dihedral angle arising from steric crowding. Addressing this challenge, we demonstrate a potent strategy to engineer steric crowding in this work. To achieve our goal, we have designed three luminogens, namely, CzPHCN, tCzPHCN and Cz2CzPHCN based on phenanthrene-9,10-dicarbonitrile (PHCN), as an acceptor core to minimize the steric hindrance between the donor groups. Among the three luminogens, tCzPHCN exhibits a maximum PLQY of 86\% and the highest RISC rate of 3.5 x 105 s-1, the underlying cause being the least dihedral angle of 45.72 degrees and suppressed intermolecular interaction due to the presence of the bulky tert-butyl group. Interestingly, our QM/MM calculations and experimental evidence suggest that the RISC process of both CzPHCN and tCzPHCN takes place via a hot exciton channel. Unlocking a new realm of applications, the unique non-centrosymmetric space group (Cmc21) of CzPHCN offers excellent SHG with a chi(2) value of 0.21 pm V-1 at 1320 nm. In addition to this, the molecule depicts good ferroelectric (PS = 0.32 mu C cm-2), piezoelectric energy harvesting (VOC = 2.8 V) and two-photon absorption properties.

}, issn = {2041-6520}, doi = {10.1039/d5sc02107c}, author = {Dutta, Madhusudan and Chatterjee, Abhijit and Deka, Nilotpal and Tanwar, Riteeka and Mishra, Vishnu and Saha, Arindam and Mandal, Pankaj and Boomishankar, Ramamoorthy and Hazra, Partha} } @article {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 {49933, title = {Supercooled liquid phases of luminescent zero dimensional metal halide hybrids}, journal = {Journal of Physical Chemistry Letters}, volume = {16}, year = {2025}, month = {SEP}, pages = {9391-9400}, type = {Article}, abstract = {

Chemical design of metal halide hybrids (MHHs) with suppressed melting point (T-m) allows access to glassy phases from their liquid-melts. Thermal phase change (crystal-melt-glass) properties of glassy MHHs (with glass transition temperature T-g \> room temperature) have been exploited for device applications. However, room temperature stable supercooled liquid (SCL) MHHs (with T-g \< room temperature), originating from glass-SCL phase change, remain inaccessible. Here, a molecular design strategy is reported to access ambient stable, melt-processable, SCL multimetallic bromide hybrids (Mn2+,Cd2+; Mn2+,Zn2+; Benzyltributylammonium) with low T-g (15-16 degrees C), low T-m (90-100 degrees C), green luminescence, and high optical transparency. Structural, optical, thermal, and computational analyses highlight chemical design principles and support dopant (Mn2+) based luminescence. Rheological measurements confirm the SCL phase that shows thermal hysteresis and estimate relaxation time scales. This work provides a new material platform showcasing enhanced melt-processability for fabrication of moldable devices, unravelling chemical makeup-property correlation and expanding the material phase types of MHHs.

}, issn = {1948-7185}, doi = {10.1021/acs.jpclett.5c01979}, author = {Kumar Das, Deep and Marayathungal, Jumana Hasin and Palakkolil, Athira and Sarma, Dhritismita and Khan, Akram Aadil and Kumar, M. Praveen and Kudlu, Ashwath and Choudhary, Mahendra and Hathwar, Venkatesha R. and Pujala, Ravi Kumar and Mahata, Arup and Kundu, Janardan} } @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 {49939, title = {Surfactant-assisted tungsten oxide for enhanced acetone sensing and solar-driven photocatalysis: exploring the role of surfactants}, journal = {RSC Advances}, volume = {15}, year = {2025}, month = {AUG }, pages = {27895-27907}, type = {Article}, abstract = {

Surfactants play a pivotal role in the kinetics of nucleation and accretion of nanoparticles in such a way that they serve as a template for the development of nanostructures, consequently influencing the morphology, dimensions, and other surface properties. Herein, we report the influence of cationic and anionic surfactants (CTAB, SDS, PVP and HMT) on the development of pristine WO3 nanostructures and their impact on gas sensing and photocatalytic properties of WO3. The various surfactant-assisted WO3 nanostructures were synthesized via a straightforward hydrothermal route and systematically analyzed using XRD, FESEM-EDAX, TEM/HRTEM, XPS, UV-Vis, and BET measurements. Gas sensing properties of various oxidizing and reducing gases revealed superior selectivity towards acetone. Among the various surfactant-assisted WO3, CTAB/WO3 exhibited an excellent response of 84.84\% towards 100 ppm acetone at an optimal operating temperature of 300 degrees C. The CTAB/WO3 sensor exhibited a linear response to acetone at lower concentrations, showing a 4.8\% response at 0.8 ppm, which delineates the threshold between healthy and diabetic breath acetone levels. At 1.8 ppm, the sensor recorded 8.1\% response, aligning with diabetes values reported by National Institute for Occupational Safety and Health (NIOSH). Moreover, photocatalytic performance evaluations demonstrated a methylene blue degradation efficiency of 47.19\% under natural solar irradiation. This work will motivate researchers in developing high performance acetone gas sensors and photocatalytic dye-degradation by the integration of appropriate surfactants in WO3 nanostructures.

}, doi = {10.1039/d5ra02593a}, author = {Patil, Abhijeet P. and Patil, Suraj S. and Tamboli, Mohaseen S. and Damkale, Shubhangi R. and Nadargi, Digambar Y. and Nadargi, Jyoti D. and Mulla, Imtiaz S. and Suryavanshi, Sharad S.} } @article {49948, title = {Sustainable cellulose nanofiber extraction from Borassus flabellifer: a comprehensive study and analytical insights}, journal = {Biomass Conversion and Biorefinery}, volume = {15}, year = {2025}, month = {SEP}, pages = {25359-25373}, type = {Article}, abstract = {

Cellulose, a biodegradable and renewable material, is versatile and transforms various fields. This work uses a chemo-mechanical method to discuss the extraction and analysis of palmyra (Borassus flabellifer) fruit derived cellulose nanofibers (PFCNF). The mild acid treatment, steam explosion, and homogenization could increase the physico-chemical properties of Borassus flabellifer fiber. The chemical composition and FTIR analysis confirmed the successful elimination of the hemicellulose, lignin, and other extractives in the palmyra fruit pulp. The solid-state 13C NMR proved the cellulose type I structure of the extracted PFCNF. The crystallinity index of PFCNF was found to be 57\%. The yield of the cellulose was calculated to be 44\%. PFCNF exhibited fibrous morphology with a nanodimension of 10-80 nm, validated using scanning electron microscopy and transmission electron microscopy. With progressive treatments, the thermal stability was increased, and the Tmax of PFCNF was 32 degrees C higher compared to the raw fibers. These superior properties further support their potential in eco-friendly packaging, advanced composites, biomedical materials, film production, electronics, coating materials, and paper production.

}, keywords = {Borassus flabellifer, Biomass, Cellulose nanofiber, Eco-friendly extraction, Sustainable materials, Waste valorization}, issn = {2190-6815}, doi = {10.1007/s13399-025-06859-0}, author = {Surya, S. and Soman, Arathy and Krishnan, Akhil and Suresh, M. Parvana and Neenu, K. V. and Ajithkumar, T. G. and Parameswaranpillai, Jyotishkumar and Begum, P. M. Sabura and Dominic, C. D. Midhun} } @article {49961, title = {Sustainable isolation of cellulose nanofibers with superior crystallinity and thermal stability from Terminalia catappa L. fruit peel waste}, journal = {Biomass Conversion and Biorefinery}, volume = {15}, year = {2025}, month = {JUL}, pages = {21557-21572}, type = {Article}, abstract = {

Turning agricultural waste into value-added products is a key focus of sustainable development. Herein, cellulose nanofibers (CNF) were extracted from the pericarp of Terminalia catappa L. for the first time. The CNF was extracted by chlorine-free pretreatment methods followed by oxalic acid hydrolysis (5 wt\%) assisted with steam explosion. The prepared CNF were characterized by Fourier transform infrared spectroscopy (FTIR), solid-state 13C nuclear magnetic resonance spectroscopy, scanning electron microscopy (SEM), transmission electron microscopy (TEM), X-ray diffraction (XRD), and thermogravimetric analysis (TGA and DTG). FTIR analysis confirmed the successful removal of lignin and hemicellulose during chemical treatment which was again validated by solid-state 13C NMR analysis. TEM image revealed that the diameter of the extracted nanofibers ranges from 14 to 18 nm. From XRD analysis, the crystallinity index of the CNF was 82\%, while that of the raw sample was 62 \%. The temperature at which the maximum degradation (Tmax) of CNF occurred was found to be 372 degrees C which is superior to that of the raw sample (334 degrees C). The extracted cellulose nanofibers were used to prepare cellulose paper, demonstrating a tensile strength of 1.1 MPa, indicating its potential suitability for biodegradable packaging applications.

}, keywords = {cellulose, Cellulose nanofiber, green synthesis, Waste to wealth}, issn = {2190-6815}, doi = {10.1007/s13399-025-06726-y}, author = {Harsha, R. and Mol, A. P. Princy and Paul, Sharon and Badawi, Michael and Ajithkumar, T. G. and Rao, H. Jeevan and Parameswaranpillai, Jyotishkumar and Nair, Ajalesh B. and Begum, P. M. Sabura and Dominic, C. D. Midhun} } @article {49917, title = {Synergistic effect of acidic-basic features of copper-doped layered double hydroxides nanocatalysts in valorization of biomass-derived furfural to biofuels}, journal = {ChemPlusChem}, volume = {90}, year = {2025}, month = {DEC}, pages = {e202500416}, type = {Article}, abstract = {

Valorization of biomass-derived chemicals into high-quality compounds and biofuels is enormously fundamental to diminish dependence on fossil-based resources. Furfural is a bio-based valuable compound which can be proficiently upgraded to 4-(2-furyl)-3-buten-2-one (FAc) and 1,4-pentadiene-3-one, 1,5-di-2-furanyl (F 2 Ac) via aldol condensation of furfural with acetone. In the present work, efficient Cu-doped Mg-Al layered double hydroxides (LDH) nanocatalysts are fabricated by coprecipitation and are exploited for furfural conversion to obtained FAc and F 2 Ac. The structure-activity relationship is scrutinized by characterizing fresh and spent nanocatalysts via numerous techniques. The good correlation between the amount of weak acidic-weak basic catalytic sites and nanocatalysts performance is established. The superior performance of Cu-0.1 nanocatalyst (Cu-content = 1.85 wt\%) in aldol condensation is attributed to the presence of optimum weak acidic sites (0.21 mmol g-1) and weak basic sites (0.36 mmol g-1), synergistic acidic-basic effect, nano-sized Cu(OH) 2 nanoparticles (1.6 nm), high BET surface area (181 m2 g-1), and mesoporous architecture of material. Cu-0.1 nanocatalyst delivered 98\% FAc selectivity with 100\% furfural conversion at 85 degrees C. Furthermore, at 100 degrees C, the nanocatalyst gives 55\% F 2 Ac selectivity with 73\% furfural conversion. The catalyst displays good recyclability (7 recycles) and stability. Plausible mechanistic pathway for transformation of furfural to FAc and F 2 Ac is proposed.

}, keywords = {Aldol condensation, biofuels, biomass valorization, nanocatalysis, synergistic effect}, issn = {2192-6506}, doi = {10.1002/cplu.202500416}, author = {Gode, Nilesh G. and Nagpure, Atul S. and Rewatkar, Suresh B. and Bhagat, Shailesh K. and Deshmukh, Ganpat D. and Saini, Ajay} } @article {49496, title = {Synergistic improvement of narrow bandgap PbS quantum dot solar cells through surface ligand engineering, near-infrared spectral matching, and enhanced electrode transparency}, journal = {ACS Applied Materials \& Interfaces}, volume = {17}, year = {2025}, month = {JAN}, pages = {6614-6625}, type = {Article}, abstract = {

The tunability of the energy bandgap in the near-infrared (NIR) range uniquely positions colloidal lead sulfide (PbS) quantum dots (QDs) as a versatile material to enhance the performance of existing perovskite and silicon solar cells in tandem architectures. The desired narrow bandgap (NBG) PbS QDs exhibit polar (111) and nonpolar (100) terminal facets, making effective surface passivation through ligand engineering highly challenging. Despite recent breakthroughs in surface ligand engineering, NBG PbS QDs suffer from uncontrolled agglomeration in solid films, leading to increased energy disorder and trap formation. The limited NIR transparency of commonly used indium-doped tin oxide (ITO) electrodes and inadequate NIR radiation from commercially available solar simulators further compromise the true performance of NBG PbS QDs in solar cells. Here, we employ a hybrid ligand strategy based on inorganic cadmium halide and organic thiol molecules, leading to the partial substitution of surface Pb atoms with Cd heteroatoms. This hybrid ligand strategy substantially reduces undesired QD fusion in solid films, improving the photophysical and electronic properties. By modulating the thickness of the ITO layer and managing refraction loss through a ZnO layer coating, we improved NIR transparency to above 80\%. We combine an NIR light source with a solar simulator to achieve near-ideal spectral matching for a broader range with standard AM1.5G illumination. Enhancements in surface passivation of QDs, improvements in NIR transparency of electrodes, and a spectral matched light source setup help us achieve solar cell power conversion efficiencies of 12.4\%, 4.48\%, and 1.37\% under AM 1.5G, perovskite filter, and silicon filter illuminations, respectively. A record open-circuit voltage (V oc) of 0.54 V and short-circuit current density (J sc) of 38.5 mA/cm2 are achieved under AM 1.5G illumination. We attribute these advancements in photovoltaic parameters to the reduction in Urbach tail states and intermediate trap density originating from superior surface passivation of QDs.

}, keywords = {lead sulfide, ligand passivation, near-infrared, quantum dots, solar cell, tandem solarcell}, issn = {1944-8244}, doi = {10.1021/acsami.4c22334}, author = {Sharma, Anjali and Shinde, Dipak Dattatray and Mahajan, Chandan and Dambhare, Neha V. and Biswas, Arindam and Mitra, Anurag and Girade, Vrushali S. and Rath, Arup K.} } @article {49804, title = {syn-Selective hydrosilylation and hydroboration of alkynes at room temperature catalyzed by a phosphine-free (NNN)Fe(ii) complex}, journal = {Catalysis Science \& Technology}, volume = {15}, year = {2025}, month = {NOV}, pages = {6716-6725}, type = {Article}, abstract = {

Catalytic hydrofunctionalization of alkynes is the ideal and atom-economical route to synthesize vinylsilanes and vinylboronates, which are valuable organic building blocks. However, the process suffers from using expensive phosphine-ligated catalysts, sensitive organometallic activators, and elevated reaction temperatures. To overcome these challenges, herein, we developed a series of phosphine-free (NNN)-ligated iron complexes and demonstrated their potential as efficient catalysts for the hydrosilylation and hydroboration of both internal and terminal alkynes using NaOtBu as an activator. The reactions proceeded smoothly using 1.5 mol\% catalyst loading at room temperature and provided syn-selective vinylsilanes and vinylboronates. This hydrofunctionalization exclusively delivered mono-silylated and mono-borylated vinyls with tolerance of sensitive functionalities. At the same time, terminal alkynes provided excellent anti-Markovnikov selectivity with thermodynamically feasible beta-(E)-vinylsilanes and beta-(E)-vinylboronates. The presence of an N-H moiety in the ligand backbone is crucial in generating an Fe(ii) active catalyst and facilitating the catalytic process. Mechanistic investigations, including controlled reactions and external additive experiments, were performed to propose a redox-neutral reaction mechanism with iron maintaining its +2 oxidation state throughout the cycle. The DFT energy calculations unanimously support the proposed reaction mechanism.

}, issn = {2044-4753}, doi = {10.1039/d5cy00766f}, author = {Pradhan, Chandini and Dubey, Shivansh and Samal, Pragnya Paramita and Krishnamurty, Sailaja and Punji, Benudhar} } @article {49527, title = {Synthesis and concomitant polymorphs of green fluorescence protein chromophore-anthracene-based fluorescent analogue}, journal = {Crystal Growth \& Design}, volume = {25}, year = {2025}, month = {FEB}, pages = {1011-1022}, type = {Article}, abstract = {

Controlled variations in fluorescence properties hold significant promise for applications in optical sensors, bioimaging, and advanced display devices. However, constructing multicolor fluorescent systems remains a challenge. In this study, we demonstrate the development of multicolor fluorescence by generating polymorphs of a novel green fluorescent protein chromophore analogue, which exhibits distinct photoluminescence emissions in the solid state. The observed emission variations are attributed to differences in molecular conformation due to variations in pi-stacking interactions between the polymorphs. This offers a novel approach to designing materials with tunable fluorescence properties.

}, issn = {1528-7483}, doi = {10.1021/acs.cgd.4c01347}, author = {Mali, Bhupendra P. and Dabke, Niteen B. and Dash, Soumya R. and Biswas, Anupam and Vanka, Kumar and Manoj, Kochunnoonny and Gonnade, Rajesh G.} } @article {49983, title = {Synthesis and crystal structure analysis of bis-(benzo-thia-zole-2-thiol-ato-κS)(1,10-phen-anthroline-κ2N,N')zinc(II)}, journal = {Acta Crystallographica Section E, Crystallographic Communications}, volume = {81}, year = {2025}, month = {JUN}, pages = {642{\textendash}645}, type = {Article}, doi = {10.1107/S2056989025005468}, author = {Abdullayeva, Gulchekhra and Torambetov, Batirbay and Kadirova, Shakhnoza and Daminova, Shahlo} } @article {49993, title = {Synthesis and crystal structure of [Sr(urea)(NO3)2]n}, journal = {Acta crystallographica Section E, Crystallographic communications}, volume = {81}, year = {2025}, month = {FEB}, pages = {96-98.}, type = {Article}, abstract = {

The crystal structure of poly[di-μ2-nitrato-μ2-urea-strontium(II)], [Sr(NO3)2(CH4N2O)]\ n\ , was determined using single-crystal X-ray diffraction. Crystallizing in the ortho-rhom-bic space group\ Aba2, the asymmetric unit consists of an SrII\ cation, two nitrate anions, and two half urea mol-ecules. The SrII\ cation adopts a distorted deca-hedral geometry coordinated by ten oxygen atoms, with Sr-O bond lengths ranging from 2.573 (3) to 2.847 (5) {\r A}. The nitrate anions act as bidentate ligands, displaying both terminal and bridging coordination modes. The structure features a robust coordination network supported by hydrogen bonding. These results provide insight into the coord-ination behaviour of SrII\ with nitrate and urea ligands, contributing to the understanding of supra-molecular architectures in metal-organic frameworks (MOFs).

}, doi = {10.1107/S2056989024012386}, author = {Bektursinova, Aysanem and Djumanazarova, Zulfiya and Uzakbergenova, Zamira and Ashurov, Jamshid and Khan, Akram A. and Kadirova, Shakhnoza and Torambetov, Batirbay} } @article {49517, title = {Synthesis, characterization and theoretical investigations of the newly developed molecular salts of an anti-psychotic drug (Penfluridol)}, journal = {Journal of Molecular Structure}, volume = {1328}, year = {2025}, month = {APR}, pages = {141392}, type = {Article}, abstract = {

Penfluridol (PEN) is a clinically relevant antipsychotic medication used to treat schizophrenia; nevertheless, its bioavailability is limited due to its poor solubility. To address this issues, new molecular salts of PEN are being produced utilizing an array of GRAS (Generally Recognised AS Safe) salt formers such as oxalic acid (OXA), malonic acid (MAL), maleic acid (MAE), and an artificial sweetener (saccharin (SAC)). A variety of solid-state analytical techniques were used to identify and characterize the resulting molecular salts. Moreover, PEN and its novel salts{\textquoteright} solubility were assessed using high-performance liquid chromatography (HPLC) and the data revealed that among all the adducts PEN.MAL exhibited a significantly higher solubility which is similar to 15 times more than the parent drug PEN. Furthermore, in order to enhance comprehension of the hydrogen bonding interaction, the Hirshfeld surface (HS), frontier molecular orbital (HOMO-LUMO), non-covalent interaction plots (NCIs), and electrostatic potential maps (ESP) investigations are discussed. Additionally, the stability of the synthesized adducts was evaluated over a 2-week period under accelerated humidity (90 \% +/- 5 \% RH, 40 +/- 1 degrees C) and it was observed that all the adducts demonstrated excellent stability. In light of the aforementioned observations, we expect that the latest discovery will be a superior alternative for refining and strengthening the pharmacological features of PEN.

}, keywords = {Anti-psychotic drug, Hydrogen bond, Liquid-assisted grinding (LAG), solubility}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2025.141392}, author = {Kenguva, Gowtham and Rout, Smruti Rekha and Kar, Ananya and Giri, Lopamudra and Mahapatra, Sanat Kumar and Shaikh, Tabrez R. and Baidya, Debjani and Shelke, Nikita and Dandela, Rambabu} } @article {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 {49720, title = {Synthesis, crystal structure, DFT calculation and catalytic activity of a polymer complex of zinc(II) succinate with 2-amino-1,3,4-thiadiazole}, journal = {Journal of Molecular Structure}, volume = {1338}, year = {2025}, month = {AUG}, pages = {142274}, type = {Article}, abstract = {

A polymer complex of zinc(II) succinate with a 2-amino-1,3,4-thiadialole ligand, denoted as [Zn2L2(suc)2]n, was synthesized and characterized by NMR, ESI-MS, FTIR, and FT-Raman spectroscopy, TGA, and X-ray crystallography. The polymer complex crystallizes in the orthorhombic noncentrosymmetric Pna21 space group and features a five-coordinate zinc ion in a distorted spherical square pyramidal geometry. The Hirshfeld surface analysis was carried out to evaluate the intermolecular interactions. Additionally, computational studies were also conducted to assess the stability of the Zn polymer complex and analyze the electron density distribution of the HOMO and LUMO. The catalytic activity of our complex was tested, interestingly, that showed good results for Biginelli reactions with distinct substrate scope in good to high yield at mild reaction conditions.

}, keywords = {DFT, Dihydropyrimidinones, Polymer complex, succinate, Thiadiazole, zinc}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2025.142274}, author = {Nuralieva, Guzal and Alieva, Mushtariy and Torambetov, Batirbay and Leslee, Denzil Britto Christopher and Senthilkumar, Beeran and Kaur, Simranjeet and Dabke, Niteen B. and Vanka, Kumar and Ashurov, Jamshid and Kadirova, Shakhnoza and Gonnade, Rajesh G.} } @article {49836, title = {Synthesis of benzannulated [5,6] oxa-fused/spiro-lactones via [4+2] cycloaddition with quinone methides: new insights into deconjugated butenolide reactivity}, journal = {Journal of Organic Chemistry}, volume = {90}, year = {2025}, month = {OCT}, pages = {15185-15190}, type = {Article}, abstract = {

In this study, we unfold a Lewis-acid-catalyzed inverse electron demand hetero Diels-Alder (IEDHDA) [4 + 2] reaction, leveraging the unique beta-selective nucleophilicity of deconjugate lactone in conjunction with quinone methides for the synthesis of polycyclic fused and spiro acetals in a one-pot process. This cascade annulation reaction efficiently generates 3/4 chiral centers with high diastereoselectivity. The developed methodology proceeds under mild reaction conditions and exhibits a broad substrate scope for fused and spiro acetal formation.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.5c01468}, author = {Kumar, Manish and Kale, Someshwar B. and Jawahar, Subramani and Barkade, Apurva D. and Das, Utpal} } @article {49776, title = {Tetrahydrofuran ring construction through tandem iodocyclizations: synthesis of hagen{\textquoteright}s gland lactones, a pheromone of idea leuconoe , an oxylipid, and related compounds}, journal = {Synlett}, volume = {36}, year = {2025}, month = {SEP}, pages = {2299-2303}, type = {Article}, abstract = {

A simple and efficient common route was developed for the syntheses of tetrahydrofuran-ring-containing natural products such as Hagen{\textquoteright}s gland lactones and their epimers, a pheromone of the butterfly Idea leuconoe, an oxylipid, and some valuable synthons. Brown{\textquoteright}s allylation, cross-metathesis, iodocyclization, and a tandem aminoxylation/allylation were employed as key steps in the syntheses.

}, keywords = {Cross-metathesis, Hagen{\textquoteright}s gland lactone, Iodocyclization, oxylipids, pheromones, tetrahydrofurans}, issn = {0936-5214}, doi = {10.1055/a-2550-1785}, author = {Nookaraju, U. and Danve, Shivam S. and Kumar, Pradeep} } @article {49702, title = {Transcriptome analyses reveal TaWRKY41 as a potential candidate governing spot blotch resistance in wheat}, journal = {Physiology and Molecular Biology of Plants}, volume = {31}, year = {2025}, month = {APR}, pages = {591-608}, type = {Article}, abstract = {

Spot blotch disease caused by Bipolaris sorokiniana poses a significant threat to wheat production. Cultivation of disease-resistant wheat genotypes appears to be the most practical approach to mitigate the impact of this devastating disease. However, the molecular responses of wheat plants during spot blotch disease progression remain poorly understood. This study employed RNA-sequencing to unravel the spatiotemporal molecular events underlying the resistance mechanism in the spot blotch susceptible and resistant wheat genotypes. This study further provides a comprehensive overview of differentially expressed transcripts through functional analysis and transcription factor identification, elucidating the biological mechanisms governing wheat-B. sorokiniana interaction. In the resistant genotype, the expression of one of the key transcription factors, TaWRKY41, was significantly induced upon pathogen inoculation. Computational studies, electrophoretic-mobility shift assay, and yeast one-hybrid assay confirmed the interaction of the recombinant TaWRKY41 protein with W-box elements present in the promoters of plant defense-related genes. Furthermore, co-expression network analyses identified downstream genes positively correlated with TaWRKY41, providing insights into their probable involvement in the defense response. Overall, our investigation suggests that TaWRKY41 contributes to spot blotch resistance in wheat. This knowledge can help develop new disease-resistant wheat varieties.

}, keywords = {Plant defense, plant-pathogen interaction, TaWRKY41, Transcription factors, Transcriptomics}, issn = {0971-5894}, doi = {10.1007/s12298-025-01583-5}, author = {Dayama, Bhakti R. and Mahadik, Varsha A. and Somani, Deepika and Shinde, Balkrishna A. and Kondhare, Kirtikumar R. and Karthikeyan, Muthukumarasamy and Kadoo, Narendra Y.} } @article {49519, title = {Triple G-C-T base-coded self-assembling water-soluble nucleobase monomers with a broad scope for biomaterial and protein bioconjugation applications}, journal = {Journal of Organic Chemistry}, volume = {90}, year = {2025}, month = {FEB}, pages = {2822-2829}, type = {Article}, abstract = {

We report self-assembling water-soluble nucleobase monomers with a broad scope for biomaterial and protein bioconjugation applications. These nucleobase monomers are adorned with nature-inspired triple G-C-T nucleobases featuring three recognition sites: DDA (G mimic), DAA (C mimic), and ADA (T mimic). Using readily accessible starting materials, these monomers can be synthesized in excellent yields, making them good choices for diverse applications. Their unique structural features, coupled with their water solubility, may offer exciting opportunities for the creation of new biomaterials.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.4c02745}, author = {Singh, Dharmendra and Gone, Nilu V. and Bandi, Kiran and Davis, Disiya and Nair, Kiran Sukumaran and Sanjayan, Gangadhar J.} } @article {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 {49495, title = {Unlocking enhanced redox dynamics: the power of a bifunctional catalytic zinc phosphide interface in full cell and pouch lithium-sulfur batteries}, journal = {ACS Applied Materials \& Interfaces}, volume = {17}, year = {2025}, month = {JAN}, pages = {7657-7669}, type = {Article}, abstract = {

Lithium-sulfur (Li-S) batteries face significant challenges, such as polysulfide dissolution, sluggish reaction kinetics, and lithium anode corrosion, hindering their practical application. Herein, we report a highly effective approach using a zinc phosphide (ZnP2) bifunctional catalyst to address these issues. The ZnP2 catalyst effectively anchors lithium polysulfides (LiPSs), catalytically reactivates them, and enhances lithium-ion diffusion. Utilizing a ZnP2-modified separator in a Li-S half-cell achieves an impressive initial capacity of 1145.4 mAh g-1, retaining 954 mAh g-1 and 99.8\% Coulombic efficiency after 100 cycles, compared to the pristine separator. The underlying reaction mechanisms are thoroughly investigated through post-mortem analyses and density functional theory (DFT) calculations. Moreover, a Li-S full cell with an E/S ratio of 10 mu L mg-1 demonstrates stable cycling performance, achieving an initial capacity of 797.5 and 534 mAh g-1 after 100 cycles at 0.1C, with a negative-to-positive mass ratio of 3:1. Additionally, the real-world feasibility of lightweight and flexible Li-S pouch batteries with ZnP2-modified separators is explored, showing a stable performance over 100 cycles at 0.1C with 80\% capacity retention. This engineered separator can be integrated with advanced sulfur cathodes to create high-energy-density, stable Li-S batteries for commercial applications.

}, keywords = {catalytic interlayer, full cell, lithium dendrite, lithium sulfur battery, polysulfide shuttling, pouchcell}, issn = {1944-8244}, doi = {10.1021/acsami.4c17192}, author = {Das, Anoushka K. and Yadav, Poonam and Verma, Tushar S. and Marulasiddappa, Thripuranthaka and Krishnamurty, Sailaja and Shelke, Manjusha V.} } @article {49722, title = {Unravelling chain confinement and dynamics of weakly entangled polymers in one component nanocomposites}, journal = {Soft Matter}, volume = {21}, year = {2025}, month = {JUN }, pages = {4378-4392}, type = {Article}, abstract = {

Structure and dynamics of polymer chains grafted to a nanoparticle (NP) surface in one component nanocomposites (OCNC) are investigated by small angle scattering (SAXS, SANS) and neutron spin echo (NSE). The OCNC were realized by self-assembly of block-copolymers and subsequent cross-linking of the core. The sizes of the resulting NPs were narrowly distributed. Owing to equal core and shell volumes the melt structure is that of a concentrated colloidal dispersion of cores. The melt structure could be reasonably well described by a Percus-Yevick structure factor. In order to access more deeply the dynamics, three differently labeled materials with labels at the inner- or outer part and the whole graft were studied. The experimental data were evaluated in terms of models allowing for site dependent friction. For this purpose, the Langevin equation containing a friction profile was solved and the dynamic structure factor in terms of its eigenvalues and eigenvectors was compared to the data. The evaluation shows increased friction towards the grafting points. In addition, topological restrictions of motion due to the dense arrangements of micellar cores and the presence of neighboring chains were considered and compared with those of a corresponding melt. Assuming homogenous relaxation of all grafts did not yield a satisfactory data description, but rather at least two differently relaxing chain ensembles had to be considered.

}, issn = {1744-683X}, doi = {10.1039/d4sm01505c}, author = {Kruteva, M. and Monkenbusch, M. and Sharma, A. and Allgaier, J. and Hoffmann, I. and Rosi, B. and Dulle, M. and Porcar, L. and Matsarskaia, O. and Richter, D.} } @article {49565, title = {Unravelling the Cu-Co nanoparticle synergy over Ceria-Zirconia support toward efficient reverse water gas shift (RWGS) conversion under H2 lean conditions}, journal = {Chemical Engineering Journal}, volume = {508}, year = {2025}, month = {MAR}, pages = {160705}, type = {Article}, abstract = {

CO2 emissions leading to global warming and environmental and socio-economic issues have propelled the research community to develop technologies capable of capturing and converting CO2 into valuable products. Controlling the selectivity toward platform molecules like CO, methanol, or methane is a fundamental challenge in CO2 hydrogenation. Supported cobalt nanoparticles are known for hydrocarbon production through FischerTropsch (FT) reaction, and Cu-based catalysts are known for reverse water gas shift (RWGS) reaction. Here, we show that d-band centre can be carefully modulated by making bimetallic combinations of Cu and Co for a highly active RWGS catalyst. An oxygen vacancy-rich nanostructured ceria-zirconia (CZ) support with Cu nanoparticles (2 wt\%) modified with as low as 0.05 wt\% Co shows excellent conversion for CO2 hydrogenation and selectivity for CO below 500 degrees C. The optimized catalyst shows CO2 conversion even under hydrogen lean conditions (H2/ CO2 ratio 0.5:1), with a breakthrough rate of 206023 mmol/gmetal/h for CO at 600 degrees C, having H2 utilization of 80\% for the RWGS process.

}, keywords = {Bimetallic catalyst, Ceria-zirconia, CO 2 hydrogenation, Cobalt catalyst, Copper catalyst, Reverse water gas shift (RWGS), synergistic effect}, issn = {1385-8947}, doi = {10.1016/j.cej.2025.160705}, author = {Jagtap, Anuradha Vijay and Bamnia, Mahesh Kumar and Maibam, Ashakiran and Bajpai, Jyotsna Paliwal and Gupta, Sharad and Thomas, Sharon K. and Dabke, Niteen B. and Vinod, C. P.} } @article {49628, title = {Upgradation of biomass-derived furfural by nanostructured layered double hydroxides: Influence of stirring rate on structural features of materials}, journal = {Inorganic Chemistry Communications}, volume = {172}, year = {2025}, month = {FEB}, pages = {113756}, type = {Article}, abstract = {

The proficient conversion of biomass-derived compounds into the high-quality platform chemicals and bio-fuels is enormously imperative to decrease dependence on fossil feedstock. Furfural is a significant bio-based chemical which can be efficiently converted to valuable 4-(2-furyl)-3-buten-2-one (FAc) via aldol condensation. In this work, we have developed prominent layered double hydroxides (LDHs) catalysts for mild aldol condensation of furfural and acetone to acquired high performance with admirable FAc selectivity. Various nanostructured Mg-Al LDHs were synthesized through co-precipitation procedure under different stirring rate conditions. The structural, morphological and optical attributes of materials as well as recyclability aspect and structure-activity relationship was examined by characterizing the fresh and spent catalysts via numerous techniques (XRD, N2 sorption, DLS, CO2-TPD, NH3-TPD, FT-IR, UV-Visible spectroscopy, TGA, SEM, TEM, ICP-OES, 27Al NMR spectroscopy, XPS, Raman spectroscopy, etc). Several reaction parameters were also optimized. Among the catalysts tested, LDH-1200 catalyst exhibits outstanding performance by delivering 100\% furfural conversion with 99\% FAc selectivity. Moreover, catalyst illustrates excellent recyclability and stability. The mechanistic insight for aldol condensation was also investigated by monitoring the intermediates at different stages and intervals during the course of the reaction. This study confirms that stirring rate has significant influence on physico-chemical attributes of materials and the amount of weak basic sites plays imperative role in catalytic performance.

}, keywords = {Aldol condensation, Biomass-derived compounds, Flower-shaped nanocrystals, heterogeneous catalysis, Nanostructured mesoporous LDH}, issn = {1387-7003}, doi = {10.1016/j.inoche.2024.113756}, author = {Bhagat, Shailesh K. and Nagpure, Atul S. and Lanjewar, Mamata R. and Gode, Nilesh G. and Deshmukh, Ganpat D. and Saini, Ajay} } @article {49712, title = {Vastly increased mesophase range due to superstructure formation from in situ prepared gold nanoparticles with liquid crystalline ligands: toward enhanced optoelectronic applications}, journal = {ACS Applied Nano Materials}, volume = {8}, year = {2025}, month = {MAY }, pages = {10340-10350}, type = {Article}, abstract = {

Gold nanoparticle (Au NP)-liquid crystal (LC) composites have gained considerable interest in developing cutting-edge electro-optical materials. This study introduces an innovative synthetic approach that significantly augments the capabilities of Au NP-LC composites by utilizing an amine-functionalized LC as both a reducing and capping agent in the refined Brust-Schiffrin method. In its standard form, this method yields Au NP-LC composites with appealing features like improved clearing temperature. However, the optical characteristics do not display any additional features and resemble simple LC-ligand functionalized Au NP, attributed here to the surplus LC employed to obtain the dual capabilities of reduction and capping. Thus, it was gratifying to observe a dramatic enhancement in mesophase stability with the removal of just a few percentages of excess LC, which is attributed to a remarkable and unprecedented one-dimensional superstructure formation. Furthermore, the removal of surplus LC caused the composite to exhibit Fano-like resonance in the UV-vis spectrum, a noteworthy optical feature likely resulting from dynamic plasmonic interactions, including plasmon-polariton interactions and lattice plasmon modes. Thus, the simple yet robust protocol employed yields Au NP-LC composites with an ultrawide thermal range of the mesophase that paves the way for realizing next-generation electro-optic materials featuring enhanced performance and response.

}, keywords = {Fano-resonance, gold nanoparticles, liquid crystals, nanosoftcomposites, superstructure}, doi = {10.1021/acsanm.5c00923}, author = {Duggal, Muskan and Khatavi, Santosh and Yelamaggad, Channabasaveshwar V. and Shankar Rao, Doddamane Sreenivasamurthy and Krishna Prasad, Subbarao and Prasad, Bhagavatula L. V.} } @article {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 {49906, title = {WS2 nanoparticle-decorated, vertically aligned SnS2-based high-performance heterostructures for ambient-stable ultrafast photodetection}, journal = {ACS Applied Nano Materials}, volume = {8}, year = {2025}, month = {OCT }, pages = {21047-21056}, type = {Article}, abstract = {

The development of visible-light photodetectors with high responsivity, rapid response, and long-term ambient stability remains a critical challenge in optoelectronics. Here, we report a high-performance photodetector based on a vertically aligned SnS2 film interfaced with WS2 nanoparticles, forming a p-n heterojunction. This device is fabricated using a scalable two-step method-chemical vapor deposition (CVD) for SnS2 growth and solution-based drop-casting for WS2 deposition-enabling precise control over the heterointerface, but trap states are inevitable due to the use of thermal CVD and the drop-casting method. The resulting photodetector exhibits remarkable optoelectronic characteristics, including a responsivity of 0.76 A/W, a detectivity of 7.56 x 10(11) Jones, a photo-to-dark current ratio of 119, and a fast rise time of 0.297 ms under visible illumination. These performance metrics are directly attributed to the optimized heterointerface, where the built-in electric field at the nanoscale WS2/SnS2 junctions promotes efficient charge separation and minimizes recombination losses. Notably, the device retains over 95\% of its initial performance even after 1 week of ambient exposure, highlighting its superior environmental robustness. This work introduces an interface-engineering strategy that leverages the unique electronic properties of earth-abundant, nontoxic two-dimensional materials, offering a viable pathway for scalable, high-speed, and stable photodetectors suitable for next-generation optoelectronic systems.

}, keywords = {2D, CVD, heterojunction, photodetector, SnS2, WS2}, doi = {10.1021/acsanm.5c04078}, author = {Das, Chayan and Kumar, Suresh and Sharma, Anjali and Kumar, Mahesh and Rath, Arup K. and Sahu, Satyajit} } @article {49963, title = {Zincke-derived viologen covalent organic framework as a high-performance cathode for aqueous zinc-iodine batteries}, journal = {Small}, volume = {21}, year = {2025}, month = {DEC }, type = {Article}, abstract = {

Aqueous zinc-iodine (Zn-I2) batteries are among the most promising energy storage technologies, offering high energy density, low cost, and intrinsic safety. However, their practical deployment is hindered by the polyiodide shuttle effect, leading to rapid capacity fading and poor cycling performance. This work demonstrates the application of a crystalline viologen-based covalent organic framework (TAB-DNP-BP COF), synthesized via a one-pot Zincke reaction, as an efficient iodine host material. The cationic backbone of the TAB-DNP-BP COF effectively confines iodine (I2) species and electrostatically traps polyiodides, suppressing their migration and protecting the zinc anode. Zinc-iodine batteries assembled with an I2-enriched TAB-DNP-BP COF (TAB-DNP-BP COF@I2) cathode deliver a high specific capacity of 337 mAh g-1 at 0.5 C, surpassing the performance of most reported COF-, MOF-, and cage-based systems, while exhibiting excellent cycling stability over 5000 cycles. This work highlights the potential of ionic COFs for stabilizing iodine chemistry and offers a promising strategy toward the development of high-performance, durable aqueous Zn-I2 batteries.

}, keywords = {iCOF, iodine confinement, viologen, zinc-iodine batteries, Zincke reaction}, issn = {1613-6810}, doi = {10.1002/smll.202506012}, author = {Das, Gobinda and Shivade, Rajkiran and Pandey, Priyanshi and Varghese, Sabu and Rajput, Nitul and Matouk, Zineb and Martinez, Jose Ignacio and Straubinger, Rainer and Benyettou, Farah and Gandara, Felipe and Olson, Mark A. and Aouad, Samer and Shelke, Manjusha V. and Trabolsi, Ali} } @article {50045, title = {2,6-Dioxabicyclo[3.3.1]nonan-3-ones: from natural product treasure troves to synthetic triumphs}, journal = {RSC Advances}, volume = {16}, year = {2026}, month = {FEB}, pages = {9118-9142}, type = {Review}, abstract = {

2,6-Dioxabicyclo[3.3.1]nonan-3-ones represent a structurally captivating and biologically potent class of natural products. This review comprehensively chronicles the discovery, isolation, and synthetic evolution of 2,6-disubstituted THP containing diverse bridged bicyclic lactone derivatives. Spanning over three decades of research, we present a chronological survey of naturally occurring THP-fused lactones highlighting their origins, structural diversity, and the synthetic ingenuity employed to construct these challenging frameworks. Emphasis is placed on oxa-Michael addition, tandem isomerization followed by C-O and C-C bond forming reaction, Prins reactions, and ring-closing metathesis each offering unique strategic advantages. Particular attention is paid to the stereochemical complexity and regioselectivity challenges inherent in assembling the densely functionalized polyol systems of these compounds. The purpose of this review is to offer a comprehensive introduction for those new to the field, while also spotlighting the latest exciting advancements in the field.

}, doi = {10.1039/d5ra07728a}, author = {Choudhury, Utkal Mani and Das, Pragna Pratic and Mohapatra, Debendra Kumar} } @article {49841, title = {Coupled computational fluid dynamics-population balance model approach for investigating effect of breakage, coalescence, and interfacial forces in continuous emulsification using static mixers}, journal = {Industrial \& Engineering Chemistry Research}, volume = {65}, year = {2026}, month = {JAN}, pages = {978-1000}, type = {Article}, abstract = {

This study employs a coupled CFD-PBM framework to investigate the effects of breakage and coalescence kernels as well as interfacial force models on droplet dynamics in turbulent liquid-liquid dispersions. An Euler-Euler two-phase model integrated with the population balance model was used to evaluate the influence of turbulence models and breakup-coalescence kernels on droplet formation. The role of interfacial forces, including drag, lift, and turbulent dispersion, was systematically assessed with respect to interfacial area concentration, dispersed phase volume fraction variation, turbulent dissipation rate, Sauter mean diameter (d 32), and droplet size distribution. Through sensitivity analysis, an optimized CFD-PBM model was developed, capable of accurately predicting droplet dynamics. The predicted d 32 showed excellent agreement with the measured experimental data, with a deviation of approximately 0.2\% relative to the reported values. Incorporating the lift force improved the prediction of dispersed phase volume fraction by approximately 6.06\%, while the inclusion of the turbulent dispersion force enhanced the phase redistribution and increased the local turbulent dissipation rate in the initial mixing zone by nearly 4.68\%, thereby promoting droplet breakage. Furthermore, spectral analysis of velocity time-series data using the fast Fourier transform revealed a -5/3 slope in the energy spectrum, confirming that the simulations captured the inertial subrange of turbulence.

}, issn = {0888-5885}, doi = {10.1021/acs.iecr.5c04247}, author = {Salunkhe, Neha Sudhakar and Dastane, Gaurav and Mali, Chaitanya R.} } @article {50044, title = {Effect of sulfonation density on acid strength in ion exchange resins: Insights from solid-state NMR and density functional theory}, journal = {Molecular Catalysis}, volume = {593}, year = {2026}, month = {MAR }, pages = {115794}, type = {Article}, abstract = {

Ion-exchange (IE) resins are widely used as solid acid catalysts; however, their surface acidity remains poorly characterized because their limited thermal stability precludes conventional NH3-based acidity measurements. Moreover, acid-site accessibility in IE resins is strongly governed by solvent- or reactant-induced swelling. Here, we investigate the surface acidity of commercial Amberlyst and Indion IE resins using \& sup3;\& sup1;P MAS NMR (Magic Angle Spinning Nuclear Magnetic Resonance), employing TMPO as a molecular probe dispersed on the resin with moderately swelling dichloromethane, thereby capturing the swollen-state acidity relevant for predicting catalytic activity. The deconvolution of the P-31 MAS NMR spectra reveals three distinct acid-strength zones arising from inhomogeneous sulfonation of the polymer matrix. The overall acidity, quantified by the area-weighted average P-31 chemical shift (delta), increases monotonically with sulfonation density. Notably, only resins containing acid sites stronger than similar to 80 ppm exhibited measurable catalytic activity in alpha-pinene isomerization, establishing a direct correlation between acidity and activity. Density functional theory (DFT) calculations on representative resin models, supported by electron-density analyses, attribute the enhancement of acid strength at higher sulfonation densities to cooperative hydrogen-bonding networks among neighboring sulfonic acid groups. Together, these findings establish P-31 MAS NMR-derived surface acidity as a catalytically relevant descriptor for the rational selection of IE resins in liquid phase acid-catalyzed chemistries.

}, keywords = {Acid strength, Density functional theory, heterogeneous catalysis, Ion-exchange resins, Solid acids, Solid-state NMR}, issn = {2468-8231}, doi = {10.1016/j.mcat.2026.115794}, author = {Tumulu, Goutam Narayan and Datar, Sarvesh and Shelke, Ankita and Swain, Gitanjali and Ajithkumar, T. G. and Thirumalaiswamy, Raja and Mohan, Ojus and Mahajani, Sanjay M.} } @article {50056, title = {Exploring the mechanisms of yoga-based cardiac rehabilitation in heart failure via assessment of endothelial function, genomics and arterial health (Yoga-EndOmics): a study protocol}, journal = {BMJ Open}, volume = {16}, year = {2026}, month = {JAN}, pages = {e110239}, type = {Article}, abstract = {

Introduction Heart failure (HF) remains a major global health challenge, particularly in low-resource settings where access to comprehensive cardiac rehabilitation (CR) is limited. Yoga, a culturally contextualised mind-body intervention, holds promise as an adjunctive therapy in CR. The Yoga-EndOmics study aims to evaluate the effects of Yoga-based cardiac rehabilitation (Yoga-CaRe) on gene expression, endothelial function, vascular biomarkers and clinical outcomes in systolic HF, providing mechanistic insights into its potential integration into conventional cardiac rehabilitation.Methods and analysis This is a prospective, randomised, open-label, blinded-endpoint (PROBE) mechanistic trial enrolling 78 patients with HF with reduced ejection fraction (HFrEF). Participants will be randomised in a 1:1 ratio to receive either a structured Yoga-CaRe intervention or enhanced standard care for 3 months. The Yoga-CaRe group will attend 20 supervised sessions with guided home practice involving tailored asanas, pranayama and meditation. Primary outcomes are changes in endothelial-dependent flow-mediated dilation (FMD) and functional exercise capacity at 3 months. Secondary outcomes include changes in arterial compliance and stiffness, circulating biomarkers of endothelial dysfunction, oxidative stress and inflammation, and immediate changes in global gene expression profiles in peripheral blood mononuclear cells following the Yoga-CaRe intervention. Data will be analysed using analysis of covariance (ANCOVA) for between-group comparisons and significant analysis of microarray (SAM) for global gene expression profiles.Ethics and dissemination The study has received ethical clearance from the Institutional Ethics Committee of the SDM College of Medical Sciences and Hospital, India (SDMIEC/2025/1072) and is registered with the Clinical Trials Registry of India. Findings will be disseminated through peer-reviewed journals, scientific conferences and stakeholder engagement platforms to inform future integrative strategies in HF management.Trial registration number CTRI/2023/12/060758

}, keywords = {DNA Methylation, Genetics, Heart failure, Molecular Biology, Randomized Controlled Trial}, issn = {2044-6055}, doi = {10.1136/bmjopen-2025-110239}, author = {Shetty, Vindya Vasu and Patil, Laxmi Ramchandra and Patil, Satish G. and Aithal, Kiran and Oli, Ajay Kumar and Yenagi, Vijay Aravind and Kaulgud, Ram S. and Dharne, Mahesh and Chandra Sekaran, Ambalam M. and Prabhakaran, Dorairaj} } @article {50020, title = {Metal films from a single source and their application in nanoporous filtration synthesis, electromagnetic interference shielding, and electroadhesion}, journal = {ACS Omega}, volume = {11}, year = {2026}, month = {MAR}, pages = {14203-14211}, type = {Article}, abstract = {

Electroless metal depositions are carried out by a series of reduction steps involving multiple metal ions to obtain a film on synthetic and natural substrates. Herein, we report the use of metal ions from a single element to deposit metal films on various substrates. In a typical metal deposition procedure, Pd2+ ions are anchored on a polycarbonate membrane with vertically aligned pores of 0.6 mu m, which was reduced to its nanoparticles by sodium borohydride. The Pd nanoparticle-modified membrane was then immersed in a Pd plating bath. The Pd2+ ions are reduced by the reducing agent present in the plating bath. The reaction is catalyzed by the Pd nanoparticles. The Pd-modified membrane with vertically aligned Pd tubes were used to convert p-nitrophenol to p-aminophenol, which is an important molecule in the production of acetaminophen. While filtering the reactants through the Pd tubes, due to increased collision between the reactants and the catalyst Pd tubes, 100\% conversion is achieved within 5 min. On the contrary, the conversion is only 10\% if the membrane is placed in a vessel comprising the reactants. Due to the versatile nature of the metal deposition procedure, nickel was deposited on cotton substrates by a similar procedure. The nickel film-coated cotton cloth showed an impressive electromagnetic shielding interference efficiency of -60 dB while the uncoated cotton cloth did not shield electromagnetic radiation. To demonstrate the versatility of the approach, Pd-coated synthetic polymeric substrates are used to electroadhere gels and gel-like substances. Nickel-coated substrates are not suitable for electroadhesion; hence, a conjugated polymer was deposited on the substrate to electroadhere gel-like substances.

}, issn = {2470-1343}, doi = {10.1021/acsomega.4c07730}, author = {Veerasubash, Muthupandi and Birajdar, Sarika Hanamant and Kika, Sharmin Percy and Senthilkumaran, Marimuthu and Deshpande, Karan and Shevate, Rahul and Krishnamoorthy, Kothandam} } @article {50052, title = {Methoxy substituted furan chalcones: an insight into anti-inflammatory, antioxidant, antidiabetic, antibacterial, and molecular docking studies}, journal = {ChemistrySelect}, volume = {11}, year = {2026}, month = {MAR}, pages = {e05798}, type = {Article}, abstract = {

A series of methoxy-substituted furan-based chalcones (5a-m) were synthesized, characterized, and evaluated for in vitro anti-inflammatory, antioxidant, antidiabetic, and antibacterial activities. Among the series, compounds 5l, 5j, 5h, 5a, 5g, 5f, 5c, 5k, and 5e showed remarkable anti-inflammatory activity when compared to diclofenac sodium. The compounds 5k, 5e, 5m, 5h, and 5l showed outstanding activity in the DPPH free radical scavenging experiment, along with remarkable ferric ion reducing power activity in comparison to standard ascorbic acid. Compounds 5l, 5m, and 5g demonstrated significant alpha amylase inhibitory activity, comparable to that of the standard drug Acarbose, suggesting their potential as effective antidiabetic agents along with a good antibacterial profile against S. aureus and E. coli. The molecular docking studies revealed that compounds 5f and 5c showed the best docking profiles with BSA, while 5l and 5m demonstrated superior binding characteristics with amylase, highlighting their potential as promising bioactive candidates.

}, keywords = {Anti-inflammatory, Antibacterial, antidiabetic, Antioxidant, methoxy substituted furan chalcones, Molecular docking}, issn = {2365-6549}, doi = {10.1002/slct.202505798}, author = {Ghorpade, Sujay A. and Kulkarni, Arati S. and Dandge, Padma B. and Chaugule, Hanmant N. and Ingle, Snehal S. and Bavi, Rohit S. and Bhosale, Raghunath B. and Peerzade, Nargisbano A. and Zaki, Magdi E. A. and Masand, Vijay H. and Patil, Nita R. and Jadhav, Shravan Y.} } @article {50053, title = {Novel biosurfactant assisted biodegradation of polystyrene by Actinomycetes and its chemical understanding}, journal = {Polymer Degradation and Stability}, volume = {246}, year = {2026}, month = {APR}, pages = {111946}, type = {Article}, abstract = {

The current study highlights the effective biodegradation of polystyrene by two actinobacterial strains, Glutamicibacter sp. K-1 and Rhodococcus sp. BG-30. FT-IR, Raman spectroscopy, and GPC data showed the degradation pattern of polystyrene. Additionally, GC-MS analysis showed that strain K-1 produced a variety of degradation by-products, including alkanes, 2,4-Di-ter-butyl phenol, 2-propenoic acid, tridecyl ester, and dibutyl phthalate, while strain BG-30 produced a greater amount of alkenes, phthalic acid, and isobutyl octyl esters. GPC detected a drop in polystyrene{\textquoteright}s average molecular weight (Mn), which suggests chain scission of the polymer. Changes in polystyrene{\textquoteright}s roughness and other morphological properties were shown by AFM and FE-SEM. The effects of a conventional rhamnolipid and a novel thermostable biosurfactant fatty alkene (0.1 \% each) on the breakdown of polystyrene were examined. Strain K-1 and BG-30 resulted in increasing the degradation of polystyrene to 12 \% (w/w) and 16 \% (w/w), respectively in the presence of fatty alkene biosurfactant, there was 10 \% (w/w) and 8 \% (w/w), degradation in presence of rhamnolipid. To the best of our knowledge, degradation of polystyrene by Glutamicibacter sp. has been reported as a newly identified strain and use of a novel biosurfactant together revealed their potential in biodegradation of plastic to mitigate the plastic pollution using microbial resources.

}, keywords = {Biodegradation, Fatty alkene biosurfactant, Glutamicibacter sp., Polystyrene, Rhamnolipid, Rhodococcus sp.}, issn = {0141-3910}, doi = {10.1016/j.polymdegradstab.2026.111946}, author = {Sakpal, Amrapali and Haq, Nazrul and Dasgupta, Santanu and Alanazi, Fars and Alsarra, Ibrahim A. and Alam, Mahboob and Dastager, Syed G.} } @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 {50031, title = {Reaction kinetics for dehydrogenation of decahydroquinoline to quinoline for hydrogen generation}, journal = {Chemical Engineering \& Technology}, volume = {49}, year = {2026}, month = {FEB}, pages = {e70177}, type = {Article}, abstract = {

Catalytic dehydrogenation of decahydroquinoline (DHQ) to quinoline is a promising pathway for hydrogen release in liquid organic hydrogen carrier systems. In this work, solvent-free DHQ dehydrogenation over Pd/Al2O3 is systematically investigated to evaluate hydrogen release performance and reaction kinetics. High DHQ conversion (83.9\%) and degree of dehydrogenation (82.7\%) are achieved at optimal reaction conditions. A power-law kinetic model based on a simplified reaction mechanism is developed and simulated using a Markov Chain Monte Carlo (MCMC) approach for estimation of rate constants and validation of concentration profiles with experimental data. The apparent activation energies are determined to be 45.85 kJ/mol for DHQ to 5,6,7,8-tetrahydroquinoline (bz-THQ) and 185.43 kJ/mol for bz-THQ to quinoline formation, identifying latter as the rate-limiting step. This framework provides mechanistic insight and supports the potential of DHQ as an efficient hydrogen carrier.

}, keywords = {Decahydroquinoline (DHQ), degree of dehydrogenation, Dehydrogenation, rate-limiting step, Reaction kinetics, Weisz-Prater criterion}, issn = {0930-7516}, doi = {10.1002/ceat.70177}, author = {Bagwan, Farahanaz M. and Dadkar, Sarthak S. and Kinage, Anil K. and Vasireddy, Satyam Naidu} } @article {49946, title = {Self-powered photodetection in AgBiS2 nanocrystals synthesized from AgBi-mixed-metal thiolate}, journal = {ACS Applied Nano Materials}, volume = {9}, year = {2026}, month = {JAN}, pages = {448-456}, type = {Article}, abstract = {

AgBiS2 has emerged as a promising optoelectronic material owing to its high absorption coefficient, environmentally friendly and abundant components, offering a sustainable alternative to lead- and cadmium-based chalcogenides. Realizing the full potential of AgBiS2 devices, however, requires scalable synthesis routes that include development of suitable precursors and minimize the use of harsh solvents, elevated temperatures, inert environments, etc. Here, we present a facile, solvent-free synthesis of phase pure AgBiS2 nanocrystals (NCs) at room temperature and under ambient conditions, enabled by the AgBi mixed-metal thiolate (AgBi-MMT) precursor complex. The initial choice of metal salts determines the nature of the metal thiolate intermediate complex, which subsequently influences the quality of the resulting AgBiS2 NCs. As a single-source precursor of the metals, AgBi-MMT enables controlled release of Ag+ and Bi3+ ions, yielding phase-pure AgBiS2 NCs. Furthermore, the MMT that is derived from AgI and BiI3 precursors promotes in situ surface passivation of the AgBiS2 NCs by iodide ions by trapping molecular I2 within its matrix. Under illumination, these iodide ions undergo reversible migration, generating a built-in potential and enabling self-powered photodetection in devices prepared from the as-synthesized NCs. This work expands the synthesis methodology of AgBiS2, highlighting the importance of metal thiolates as precursors in nanomaterial syntheses, and influence of iodine species in photo-operational devices.

}, keywords = {built-in potential, iodine, ion migration, layered, quantum dots}, doi = {10.1021/acsanm.5c04724}, author = {Das, Mouli and Swathi, S. P. and Prasad, Bhagavatula L. V.} } @article {50035, title = {Sustainable nanocellulose extraction from salacca zalacca peel using chlorine-free and low-acid treatments}, journal = {ACS Omega}, volume = {11}, year = {2026}, month = {MAR}, pages = {13253-13267}, type = {Article}, abstract = {

Conversion of agro-waste to value-added products is one of the important principles of a green circular economy. A novel sustainable technique has been reported by using chlorine-free extraction of cellulose nanofibers (CNFs) from the peels of Salacca zalacca, a common fruit found in Asia. The fruit peels were exposed to alkali treatment using 2\% NaOH (60 degrees C, 2 h), chlorine-free bleaching using 15\% hydrogen peroxide (60 degrees C, 2 h), and sulfuric acid hydrolysis (15\% v/v) for the extraction of CNFs. Various analytical methods were employed to characterize the prepared CNFs. The Fourier transform infrared spectroscopy (FTIR) and 13C solid state nuclear magnetic resonance (NMR) spectra showed the complete elimination of lignin and hemicellulose in the prepared CNFs. The elemental composition and high purity of CNFs were further verified by energy-dispersive X-ray analysis (EDX). The scanning electron microscopy (SEM) and transmission electron microscopy (TEM) images proved the fibrous morphology of the prepared CNFs, and the diameters of the cellulose nanofibers were found to be 15-30 nm. The X-ray diffraction (XRD) studies disclosed the type-I cellulosic structure in the prepared CNFs with a high crystallinity index (73\%). The thermogravimetric analysis (TGA) demonstrated the superior thermal stability of the prepared CNFs (T max is 350 degrees C) compared to the raw fiber (T max is 320 degrees C). Based on the obtained results, it has been explored that the extracted highly pure CNFs can be used for fabricating bionanocomposites for high performance applications, including food packaging, sensors, water treatment, green tires, etc.

}, issn = {2470-1343}, doi = {10.1021/acsomega.5c09694}, author = {Krishnan, Akhil and Paul, Sharon and Phiri, Resego and Srisuk, Rapeeporn and Kumar Singh, Manoj and Palaniappan, Sathish Kumar and Rangappa, Sanjay Mavinkere and Dominic, C. D. Midhun and Ajithkumar, Thalasseril G. and Siengchin, Suchart} } @article {50030, title = {Switchable solid-state emission in GFP chromophore analogue cocrystals via competing AIE and ACQ pathways}, journal = {CrystEngComm}, volume = {28}, year = {2026}, month = {MAR}, pages = {1775-1780}, type = {Article}, abstract = {

We present a crystal-engineering approach enabling switchable solid-state emission (green -\> orange -\> quenched) in GFP-chromophore analogue cocrystals. The coformer{\textquoteright}s electronic and supramolecular effect shifts the photophysical pathway: intramolecular CT in cocrystal-I (green) and cocrystal-III (quenched) and intermolecular CT in cocrystal-II, yielding orange emissions and highlighting cocrystallization{\textquoteright}s power for tunable luminophores.

}, doi = {10.1039/d6ce00041j}, author = {Mali, Bhupendra P. and Dabke, Niteen B. and Sharma, Himanshu and Dash, Soumya Ranjan and Manoj, Kochunnoonny and Vanka, Kumar and Gonnade, Rajesh G.} } @article {49953, title = {Transition metal complexes of Thiadiazole-Picolinic acid: Crystal structures, DFT insights and anticancer activity}, journal = {Journal of Molecular Structure}, volume = {1354}, year = {2026}, month = {MAR 5}, pages = {144763}, type = {Article}, abstract = {

Five novel transition metal complexes [Ni(H2aeth)2(Pic)2] (1), [Co(H2aeth)2(Pic)2] (2), [Ni(H2aeth)2(Pic)(HPic)] ClO4 (3), [Co(H2aeth)2(Pic)(HPic)]ClO4 (4) and [Zn(H2aeth)2 (Pic)(HPic)]ClO4 (5) were synthesized using a 2amino-5-ethylthio-1,3,4-thiadiazole (H2aeth) and picolinic acid (HPic) as co-ligands. These complexes were characterized by FT-IR, UV-Vis., X-ray photoelectron spectroscopy, TG-DTA, and single-crystal X-ray techniques. Crystallographic analysis confirmed distorted octahedral geometries around the metal centers with extensive hydrogen bonding networks promoting supramolecular assembly in the solid state. X-ray photoelectron spectroscopy (XPS), validated the +2 oxidation state of each metal center. Thermal studies indicated multistep decomposition processes resulting in the formation of metal oxides. Density functional theory (DFT) and timedependent DFT calculations were employed to explore electronic structures and predict UV-Vis. transitions, which showed good agreement with experimental data. Frontier molecular orbital (FMO) analysis revealed that Ni(II) complexes 1 and 3 are softer and more reactive, consistent with their observed biological activity. The anticancer potential of complexes 1-5 was evaluated in vitro using the MCF-7 human breast cancer cell line and the MTT assay. Complex 1 exhibited the strongest cytotoxicity (IC50 = 26.5 mu g/mL) followed by complexes 3 (34.9 mu g/mL), 4 (46.4 mu g/mL), 2 (81.1 mu g/mL), and 5 (103.3 mu g/mL). The observed activity trends correlate with metal identity and coordination environment, underlining the role of electronic and structural factors in modulating bioactivity. These findings suggest that thiadiazole-picolinate metal complexes, particularly those based on Ni (II), are promising scaffolds for anticancer drug development.

}, keywords = {Anti-cancer activity, crystal structure, DFT calculation, MCF-7 cell line, Picolinic acid, Thiadiazole complexes}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2025.144763}, author = {Torambetov, Batirbay and Khojabaeva, Gulnaz and Bharty, M. K. and Gupta, Sushil K. and Kadirova, Shakhnoza and Pradeep, S. and Dastager, Syed G. and Gonnade, Rajesh G.} }