@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:000227915900011, title = {Overview on the degradability of polymer nanocomposites}, journal = {Polymer Degradation and Stability}, volume = {88}, number = {2}, year = {2005}, month = {MAY}, pages = {234-250}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

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

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

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

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

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

}, keywords = {absorption edge energy, Alumina, ethylbenzene, Nitrous oxide, oxidative dehydrogenation, polyvanadates, styrene, vanadia}, issn = {0021-9517}, doi = {10.1016/j.jcat.2005.01.010}, author = {Shiju, N. R. and Anilkumar, Mettu and Mirajkar, Subhash P. and Gopinath, Chinnakonda S. and Rao, B. S. and Satyanarayana, C. V.} } @article { ISI:000227266100034, title = {Oxyfunctionalization of limonene using vanadium complex anchored on functionalized SBA-15}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {229}, number = {1-2}, year = {2005}, month = {MAR}, pages = {241-247}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {covalently anchored vanadium complex, functionalized Si-SBA-15, limonene, oxofunctionalization, UHP}, issn = {1381-1169}, doi = {10.1016/j.molcata.2004.12.008}, author = {Joseph, Trissa and Halligudi, Shivappa B.} } @article { ISI:000241717400014, title = {Off-site emergency scenario, a case study from a LPG bottling plant}, journal = {Journal of Loss Prevention in the Process Industries}, volume = {19}, number = {6}, year = {2006}, month = {NOV}, pages = {645-647}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

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

}, keywords = {BLEVE, emergency plan, LPG, off-site}, issn = {0950-4230}, doi = {10.1016/j.jlp.2006.03.003}, author = {Ruj, Biswajit and Rehman, Imranur and Bandyopadhya, A. K.} } @article { ISI:000242519200007, title = {Optically transparent magnetic nanocomposites based on encapsulated Fe3O4 nanoparticles in a sol-gel silica network}, journal = {Nanotechnology}, volume = {17}, number = {22}, year = {2006}, month = {NOV}, pages = {5565-5572}, publisher = {IOP PUBLISHING LTD}, type = {Article}, address = {DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND}, abstract = {

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

}, issn = {0957-4484}, doi = {10.1088/0957-4484/17/22/007}, author = {Thomas, Senoy and Sakthikumar, D. and Joy, Pattayil Alias and Yoshida, Yasuhiko and Anantharaman, Maliemadom R.} } @article { ISI: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 { ISI:000237909100023, title = {Organic dye molecules as reducing agent for the synthesis of electroactive gold nanoplates}, journal = {Journal of Colloid and Interface Science}, volume = {298}, number = {2}, year = {2006}, month = {JUN}, pages = {679-684}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

Highly crystalline, hexagonal and triangular nanoplates of gold are synthesized in high yield by a new wet chemical method using multifunctional molecules. Bismarck brown R (BBR) and Bismarck brown Y (BBY). This method involves a simple approach by keeping a mixture of aqueous HAuCl(4) solution and BBR/BBY solution in presence of poly(vinyl pyrrolidone) for 24 h. These nanostructures show unprecedented electrochemical properties exhibiting Surface confinement effect. The UV-visible (UV-vis) spectrum shows certain distinct features with absorptions at 300, 400,and 650 nm extending up to the near infrared region. Selected area electron diffraction patterns of these nanoparticles show highly oriented (111) crystal facets. X-ray diffraction analysis also confirms the Predominant orientation in the (111) crystal planes with lattice constant similar to 4.07 angstrom of face-centered-cubic (fcc) gold. X-ray photoelectron (XP) and Fourier transform infrared (FTIR) spectroscopic analysis shows the presence of a fraction of reducing molecules as surface passivating agent either in the unreacted molecular state or as a mixture of reacted and unreacted product which probably undergoes charge transfer with gold nanocrystals giving absorption at similar to 300 nm. (c) 2005 Elsevier Inc. All rights reserved.

}, keywords = {Bismarck brown, cyclic voltammetry, gold nanoplates, poly(vinyl pyrrolidone), surface plasmon resonance}, issn = {0021-9797}, doi = {10.1016/j.jcis.2005.12.048}, author = {Sharma, Jadab and Vijayamohanan, Kunjukrishna P.} } @article { ISI:000239869200010, title = {Organosilanesulfonic acid-functionalized Zr-TMS catalysts: synthesis, characterization and catalytic applications in condensation reactions}, journal = {Applied Catalysis A-General}, volume = {310}, year = {2006}, month = {AUG}, pages = {79-90}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Organosilanesulfonic acid (-Si-R3S-R4SO3H, OSA)-functionalized mesoporous Zr-TMS (Zr-TMS-Si-R3S-R4SO3H, Zr-TMS-OSA) was synthesized either by post-synthetic modification of Zr-TMS (zirconia-based transition metal oxide mesoporous molecular sieves) with 3-mercaptopropyltrimethoxysilane (3-MPTS) and further with 1,4-butanesultone (1,4-BS) or by in situ one-pot synthesis procedure. A number of physico-chemical characterization techniques have been used to show that the organosilanesulfonic acid groups were anchored on to the walls of Zr-TMS. MCM-41-Si-R3S-R4SO3H-20 (MCM-41-OSA-20) was also prepared by post-synthesis procedure for comparison. Physico-chemical properties of in situ made A-Zr-OSA-20, Zr-TMS-SO3H-20 and MCM-41-OSA-20 were compared with Zr-TMS-OSA catalysts. The catalytic activity of the materials was tested in liquid phase condensation of aniline with p-formaldehyde to 4,4{\textquoteright}-diaminodiphenylmethane (4,4{\textquoteright}-DADPM). Results showed that Zr-TMS-OSA catalysts were more active than Zr-TMS-SO3H-20, MCM-41-OSA-20 and A-Zr-OSA-20 and more selective than Zr-TMS-SO3H-20 and A-Zr-OSA-20 catalysts. (C) 2006 Elsevier B.V. All rights reserved.

}, keywords = {Acid catalyst, condensation of aniline, mesoporous ZrO2, organic functionalization, organosilanesulfonic acid}, issn = {0926-860X}, doi = {10.1016/j.apcata.2006.05.024}, author = {Chidambaram, M. and Venkatesan, C. and Singh, A. P.} } @article { ISI:000240352900023, title = {Ossification: a new approach to immobilize metal complex catalysts - applications to carbonylation and Suzuki coupling reactions}, journal = {Journal of Catalysis}, volume = {242}, number = {1}, year = {2006}, month = {AUG}, pages = {231-238}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

A simple approach for immobilization of transition metal complexes is reported here based on the transformation of the complex into its intrinsically insoluble counterpart, thus generating solid molecular catalysts. This approach that we call {\textquoteleft}{\textquoteleft}ossification{\textquoteright}{\textquoteright} is based on a principle, in which the water-soluble analogues of the metal complexes are precipitated out from aqueous solutions as insoluble ionic ensembles having catalytically active metal-centered coordination environments and robust framework. The approach has been illustrated for I{\textquoteright}d complex catalyzed carbonylation and Suzuki coupling reactions. {\textquoteleft}{\textquoteleft}Ossification{\textquoteright}{\textquoteright} was found to be an economically and environmentally attractive alternative to other exotic immobilization methodologies. (c) 2006 Elsevier Inc. All rights reserved.

}, keywords = {Carbonylation, Heterogeneous catalysts, Immobilization, ossification, Palladium complex, Suzuki coupling}, issn = {0021-9517}, doi = {10.1016/j.jcat.2006.05.032}, author = {Sarkar, Bibhas R. and Chaudhari, Raghunath V.} } @article { ISI:000239159600002, title = {Oxidation of aniline over titania pillared montmorillonite clays}, journal = {Applied Clay Science}, volume = {33}, number = {2}, year = {2006}, month = {JUL}, pages = {89-98}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {aniline oxidation, Azoxybenzene, hydrothermal treatment, pillared clays}, issn = {0169-1317}, doi = {10.1016/j.clay.2006.04.001}, author = {Jagtap, Neelam and Ramaswamy, Veda} } @article { ISI:000241306300020, title = {Oxidation of ethyl benzene and diphenyl methane over ordered mesoporous M-MCM-41 (M = Ti, V, Cr): synthesis, characterization and structure-activity correlations}, journal = {Microporous and Mesoporous Materials}, volume = {95}, number = {1-3}, year = {2006}, month = {OCT}, pages = {154-163}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {diphenyl methane, Ethyl benzene, MCM-41, Oxidation}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2006.04.018}, author = {Jha, Ratnesh Kumar and Shylesh, S. and Bhoware, Shrikant S. and Singh, A. P.} } @article { ISI:000242775600009, title = {Oxovanadium(IV) complex of 2-(alpha-hydroxyethyl)benzimidazole covalently bonded to chloromethylated polystyrene for oxidation of benzoin}, journal = {Applied Catalysis A-General}, volume = {315}, year = {2006}, month = {NOV}, pages = {74-82}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Vanadyl sulphate reacts with 2-(alpha-hydroxyethyl)benzimidazole covalently bonded to chloromethylated polystyrene (PS-Hhebmz) cross-linked with 5\% divinyl benzene to give PS-[VO(hebmZ)(2)]. Characterisation of the catalyst was carried out by IR, electronic and EPR spectroscopic studies, thermogravimetry, scanning electron micrographs and elemental analyses. Catalytic potential of the complex was tested for the oxidation of benzoin using tert-butyl hydroperoxide (TBHP) as an oxidant in methanol where benzil, methylbenzoate, benzoic acid and dimethylacetal were obtained as products. Various parameters such as different solvents and concentration of the substrate as well as oxidant have been taken into consideration for the maximum oxidation of the benzoin. Under optimised reaction conditions, a maximum of 98.9\% conversion of the benzoin was achieved after 6 h of reaction time where selectivity of the obtained reaction products varied in the order: methylbenzoate (48.5\%) \> benzil (19.5\%) \> dimethylacetal (17.1\%) \> benzoic acid (11.5\%). Neat complex was also prepared to compare its catalytic property with polymer-anchored one. EPR spectra of neat and polymer anchored catalyst are characteristics of V(IV) complexes with typical axial pattern and possible square pyramidal geometry. The identical EPR spectral patterns of both freshly prepared and recovered anchored catalysts indicate that the complex is stable and the coordination environment is retained at the end of the catalytic reaction. (c) 2006 Elsevier B.V. All rights reserved.

}, keywords = {2-(alpha-hydroxyethyl)benzimidazole, oxidation of benzoin, polymer-anchored complex, Polystyrene, vanadium(IV) complex}, issn = {0926-860X}, doi = {10.1016/j.apcata.2006.09.003}, author = {Maurya, Mannar R. and Sikarwar, Sweta and Manikandan, Palanichamy} } @article { ISI:000240615500001, title = {Oxy-CO2 reforming of methane to syngas over CoOx/CeO2/SA-5205 catalyst}, journal = {Energy \& Fuel}, volume = {20}, number = {5}, year = {2006}, month = {SEP}, pages = {1753-1756}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The oxy-CO2 methane reforming (OCRM) process has been investigated over the CoOx/CeO2/SA-5205 catalyst at varying reaction temperatures (750-900 degrees C), O-2/CH4 ratios (0.3- 0.45), and space velocities (20 000 - 100 000 cm(3)/g/h). With an increasing OCRM reaction temperature, the contribution from the CO2 methane reforming reaction increased while that from methane combustion reactions decreased. Correspondingly, there was an increase in the H-2/CO ratio and a sharp decrease in reaction exothermicity. At 900 C (gas hourly space velocity = 46 000 cm(3)/g/h and O-2/CH4 = 0.4), the OCRM reaction over the CoOx/CeO2/SA-5205 catalyst was mildly endothermic with \> 90\% CH4 conversion, \> 95\% H-2 selectivity, and a H-2/CO ratio of 1.63. CH4 conversion was relatively unaffected by the O-2/CH4 ratio used in the OCRM reaction; however, CO2 conversion decreased on increasing the O-2/CH4 ratio. While H-2 selectivity was not significantly affected by the O-2/CH4 ratio, the H-2/CO ratio increased linearly with an increasing O-2/CH4 ratio. The endothermicity of the reaction was found to decrease with an increasing CH4/O-2 ratio, which can be explained on the basis of increased contribution from the methane partial oxidation reaction with an increasing O-2/CH4 ratio.

}, issn = {0887-0624}, doi = {10.1021/ef060138o}, author = {Choudhary, Vasant R. and Mondal, Kartick C. and Choudhary, Tushar V.} } @article { ISI:000241929400015, title = {Oxy-CO2 reforming of methane to syngas over CoOx/MgO/SA-5205 catalyst}, journal = {Fuel}, volume = {85}, number = {17-18}, year = {2006}, month = {DEC}, pages = {2484-2488}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

The OXY-CO2 methane reforming reaction (OCRM) has been investigated over CoOx supported on a MgO precoated highly macroporous silica-alumina catalyst carrier (SA-5205) at different reaction temperatures (700-900 degrees C), O-2/CH4 ratios (0.3-0.45) and space velocites (20,000-100,000cc/g/h). The reaction temperature had a profound influence on the OCRM performance over the CoO/MgO/SA-5205 catalyst; the methane conversion, CO2 conversion and H-2 selectivity increased while the H-2/CO ratio decreased markedly with increasing reaction temperature. While the O-2/CH4 ratio did not strongly affect the CH4 and CO2 conversion and H-2 selectivity, it had an intense influence on the H-2/CO ratio. The CH4 and CO2 conversion and the H-2 selectivity decreased while the H-2/CO increased with increasing space velocity. The O-2/CH4 ratio and the reaction temperature could be used to manipulate the heat of the reaction for the OCRM process. Depending on the O-2/CH4 ratio and temperature the OCRM process could be operated in a mildly exothermic, thermal neutral or mildly endothermic mode. The OCRM reaction became almost thermoneutral at an OCRM reaction temperature of 850 degrees C, O-2/CH4 ratio of 0.45 and space velocity of 46,000 cc/g/h. The CH4 conversion and H-2 selectivity over the CoO/MgO/SA-5205 catalyst corresponding to thermoneutral conditions were excellent: 95\% and 97\%, respectively with a H-2/CO ratio of 1.8. (c) 2006 Elsevier Ltd. All rights reserved.

}, keywords = {methane, oxy-CO2 reforming, Syngas}, issn = {0016-2361}, doi = {10.1016/j.fuel.2006.04.013}, author = {Choudhary, Vasant R. and Mondal, Kartick C. and Choudhary, Tushar V.} } @article {42750, title = {O-2-Naphthyl diphenylthiophosphinate}, journal = {Acta Crystallographica Section E-Crystallographic Communications}, volume = {63}, year = {2007}, month = {DEC}, pages = {4644}, type = {Article}, abstract = {

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

}, doi = {10.1107/S1600536807056127}, author = {Mague, Joel T. and Punji, Benudhar and Ganesamoorthy, Chelladurai and Balakrishna, Maravanji S.} } @article { ISI:000244106200013, title = {One step synthesis of chromium-containing periodic mesoporous organosilicas and their catalytic activity in the oxidation of cyclohexane}, journal = {Microporous and Mesoporous Materials}, volume = {99}, number = {3}, year = {2007}, month = {FEB}, pages = {334-344}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Chromium-containing ethane-bridged hybrid mesoporous materials (Cr-PMO) with uniform hexagonal arrangement were synthesized by two different synthesis routes using 1,2-bis(triethoxysilyl)ethane (BTEE) and tetraethyl orthosilicate (TEOS) as silica sources and alkyltrimethyl ammonium salts (ATMA) as surfactants. Powder X-ray diffraction, TEM, N-2 adsorption-desorption, FT-IR, in situ FT-Raman, UV-ViS, XPS, Si-29 MAS NMR and C-13 CP MAS NMR were used to probe the mesoporous structure and the nature of chromium sites in the hybrid catalyst matrix. PXRD, TEM and N-2 adsorption-desorption analysis showed that the original hexagonal structure of the materials is maintained after chromium substitution, while FT-Raman, UV-Vis and XPS analysis showed that chromium atoms exist in a highly dispersed state. The catalytic performance of the chromium-containing hybrid samples was tested in the liquid-phase oxidation of cyclohexane with aqueous hydrogen peroxide (H2O2) and non-aqueous tert-butylhydroperoxide (TBHP) as oxidants. The hybrid materials exhibited better catalytic activities and were more stable than the conventional Cr-MCM-41 catalyst. The higher catalytic activity of the new chromium-containing molecular sieves is attributed to the improved hydrophobicity of the materials and to the complementary structural features that facilitates the accessibility of cyclohexane to the active framework chromium sites. (c) 2006 Elsevier Inc. All rights reserved.

}, keywords = {Cr-MCM-41, Cr-PMO, Cyclohexane, hybrid mesoporous materials, Oxidation}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2006.09.029}, author = {Shylesh, S. and Srilakshmi, Ch. and Singh, A. P. and Anderson, B. G.} } @article {43290, title = {One-step preparation of alpha-chlorostyrenes}, journal = {Tetrahedron Letters}, volume = {48}, year = {2007}, month = {JUL}, pages = {4869-4872}, abstract = {alpha-Chlorostyrenes were prepared via a one-step method involving Friedel-Crafts reaction of various aromatic substrates with acid chlorides in the presence of a heterogeneous Si-Fe catalyst. (c) 2007 Elsevier Ltd. All rights reserved.}, doi = {10.1016/j.tetlet.2007.05.065}, author = {Borate, Hanumant B. and Galkwad, Abaji G. and Maujan, Suleman R. and Sawargave, Sangmeshwer P. and Kalal, Kamalakar M.} } @article { ISI:000250085300004, title = {One-step preparation of nanosized Ag-PdCo-powder and its alloy formation at low temperature}, journal = {Synthesis and Reactivity in Inorganic Metal-Organic and Nano-Metal Chemistry}, volume = {37}, number = {7}, year = {2007}, month = {SEP}, pages = {531-539}, publisher = {TAYLOR \& FRANCIS INC}, type = {Article}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {

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

}, keywords = {alloy, Chemical synthesis, nano-powder, noble metal, Transition Metal}, issn = {1553-3174}, doi = {10.1080/15533170701563707}, author = {Khanna, P. K. and Singh, N. and Kulkarni, D. and Marimuthu, R. and Charan, Shobhit and Patil, K. R. and Jain, G. H.} } @article { ISI:000250931100037, title = {One-step synthesis of SBA-15 containing tungsten oxide nanoclusters: a chemoselective catalyst for oxidation of sulfides to sulfoxides under ambient conditions}, journal = {Chemical Communications}, number = {45}, year = {2007}, month = {SEP}, pages = {4806-4808}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

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

}, issn = {1359-7345}, doi = {10.1039/b709459k}, author = {Bordoloi, Ankur and Vinu, Ajayan and Halligudi, Shivaraj B.} } @article { ISI:000249771600036, title = {Organocatalytic activation of TMSCN by basic ammonium salts for efficient cyanation of aldehydes and imines}, journal = {Tetrahedron Letters}, volume = {48}, number = {40}, year = {2007}, month = {OCT}, pages = {7211-7214}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {aldehydes, aminonitriles, cyanohydrin, cyanosilylation, multicomponent reactions, TMSCN}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2007.07.188}, author = {Raj, I. Victor Paul and Suryavanshi, Gurunath and Sudalai, A.} } @article { ISI:000252092000023, title = {Organo-catalytic approach to the enantioselective synthesis of (R)-selegiline}, journal = {Tetrahedron}, volume = {63}, number = {39}, year = {2007}, month = {SEP}, pages = {9758-9763}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, issn = {0040-4020}, doi = {10.1016/j.tet.2007.07.012}, author = {Talluri, Siva Kumar and Sudalai, Arumugam} } @article { ISI:000244735900014, title = {Organocatalytic sequential alpha-amination-horner-wadsworth-emmons olefination of aldehydes: enantioselective synthesis of gamma-amino-alpha,beta-unsaturated esters}, journal = {Organic Letters}, volume = {9}, number = {6}, year = {2007}, month = {MAR}, pages = {1001-1004}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A novel and highly enantioselective method for the synthesis of gamma-amino-alpha,beta-unsaturated esters via tandem alpha-amination-Horner-Wadsworth-Emmons (HWE) olefination of aldehydes is described. The one-pot assembly has been demonstrated for the construction of functionalized chiral 2-pyrrolidones, subunits present in several alkaloids.

}, issn = {1523-7060}, doi = {10.1021/ol063012j}, author = {Kotkar, Shriram P. and Chavan, Vilas B. and Sudalai, Arumugam} } @article {51}, title = {Organotin-oxometalate coordination polymer catalyzed oxyfunctionalization of monoterpenes}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {270}, number = {1-2}, year = {2007}, month = {JUN}, pages = {177-184}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, keywords = {Heck reaction, kinetics, Palladacycle}, issn = {1381-1169}, doi = {10.1016/j.molcata.2007.01.035}, author = {Bordoloi, Ankur and Lefebvre, F. and Halligudi, Shivaraj B.} } @article { ISI:000248918000008, title = {Oxidation of benzylic alcohols and sulfides over LaCoO3 and TBHP}, journal = {Arkivoc}, number = {1}, year = {2007}, month = {JAN}, pages = {70-75}, publisher = {ARKAT USA INC}, type = {Article}, address = {C/O ALAN R KATRITZKY, UNIV FLORIDA, DEPT CHEMISTRY, PO BOX 117200, GAINESVILLE, FL 32611 USA}, abstract = {

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

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

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

}, keywords = {adamantane, inorganic-organic hybrid materials, oxyfunctionalisation, vanadium (V) superoxo intermediate}, issn = {0926-860X}, doi = {10.1016/j.apcata.2007.09.025}, author = {Bordoloi, Ankur and Vinu, Ajayan and Halligudi, Shivaraj B.} } @article { ISI:000243163000068, title = {Oxy-methane reforming over high temperature stable NiCoMgCeOx and NiCoMgOx supported on zirconia-haffnia catalysts: accelerated sulfur deactivation and regeneration}, journal = {Catalysis Communications}, volume = {8}, number = {3}, year = {2007}, month = {MAR}, pages = {561-564}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

NiCoMgOx and NiCoMgCeOx on commercial low surface area zirconia-haffnia catalysts have unusually high thermal stability (\>= 2000 degrees C) for syngas generation via the methane partial oxidation process (J. Catal., 233, 36, 2005). Herein we report the results on accelerated sulfur deactivation (0.74 mol\% sulfur in feed) and corresponding regeneration (at 800 degrees C in 1:1 O-2 + N-2 flow) over these catalysts. The NiCoMgCeOx catalyst, due to a larger mobility of lattice oxygen, showed a considerably higher resistance to sulfur poisoning; the higher mobility of the lattice oxygen in case of the NiCoMgCeOx catalyst may be related to the presence of CeO2. During the deactivation process, the selectivity for H-2 was decreased to a much greater extent than that for CO. Regeneration studies showed that even after complete deactivation of the catalysts, the original activity/selectivity of both the catalysts could be completely restored after a simple regeneration process. Based on their exceptionally high thermal stability, high activity/selectivity and easily regenerability, the NiCoMOx, and NiCoMgCeOx catalysts appear to be very promising candidates for the CPOM process. (c) 2006 Elsevier B.V. All rights reserved.

}, keywords = {Deactivation, high temperature stable, methane, Partial oxidation, Regeneration, Sulfur}, issn = {1566-7367}, doi = {10.1016/j.catcom.2006.08.007}, author = {Choudhary, Vasant R. and Mondal, Kartick C. and Choudhary, Tushar V.} } @article { ISI:000253715400006, title = {Observations of enhanced aerosol longwave radiative forcing over an urban environment}, journal = {Geophysical Research Letters}, volume = {35}, number = {4}, year = {2008}, month = {FEB}, pages = {L04817}, publisher = {AMER GEOPHYSICAL UNION}, address = {2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA}, abstract = {

Collocated measurements of sun/ sky radiance, aerosol chemical composition and radiative fluxes have been utilized to estimate longwave aerosol radiative forcing over Pune, an Indian urban site during dry winter [Dec2004 to Feb2005] by two methods. Hybrid method which uses observed downwelling and modeled upwelling longwave fluxes for different aerosol loadings yielded a surface forcing of 9.4 Wm(-2). Model approach includes utilization of skyradiometer derived spectral aerosol optical properties in the visible and near infra-red wavelengths, modeled aerosol properties in 1.2-40 mu m using observed soot and chemical composition data, MODIS water vapor and TOMS column ozone in a radiative transfer model. Estimates from model method showed longwave enhancement of 6.5 and 8.2Wm(-2) at the surface with tropical model atmosphere and temporally varying profiles of temperature and humidity, respectively. Study reveals that about 25\% of the aerosol shortwave cooling is being compensated by increase in longwave radiation due to aerosol absorption.

}, issn = {0094-8276}, doi = {10.1029/2007GL032879}, author = {Panicker, A. S. and Pandithurai, G. and Safai, P. D. and Kewat, S.} } @article { ISI:000257228100019, title = {Optimal xylanase production using Penicilium janthinellum NCIM 1169: a model based approach}, journal = {Biochemical Engineering Journal}, volume = {40}, number = {2}, year = {2008}, month = {JUN}, pages = {348-356}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

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

}, keywords = {Artificial intelligence, Enzyme activity, Fermentation, Modeling, Optimization, Xylanase}, issn = {1369-703X}, doi = {10.1016/j.bej.2008.01.003}, author = {Meshram, Mukesh and Kulkarni, Abhijit and Jayaraman, Valadi K. and Kulkarni, B. D. and Lele, S. S.} } @article {43245, title = {Orbital optimization in the density matrix renormalization group, with applications to polyenes and ss-carotene}, journal = {Journal of Chemical Physics}, volume = {128}, year = {2008}, month = {APR}, doi = {10.1063/1.2883976}, author = {Ghosh, Debashree and Hachmann, Johannes and Yanai, Takeshi and Chan, Garnet Kin-Lic} } @article { ISI:000271775108158, title = {ORGN 511-Total synthesis of 7-chloro-10-methoxycamptothecin: an important synthon for commercially important derivatives of camptothecin}, journal = {Abstracts of Papers of the American Chemical Society}, volume = {235}, year = {2008}, note = {235th American-Chemical-Society National Meeting, New Orleans, LA, APR 06-10, 2008}, month = {APR}, publisher = {Amer Chem Soc}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, issn = {0065-7727}, author = {Sharma, Anil and Chavan, Subhash P. and Venkatraman, M. S.} } @article { ISI:000272010100009, title = {Optical investigations of interaction between zinc tetra phenyl porphyrin and CdSe nanoparticles}, journal = {Chemical Physics Letters}, volume = {483}, number = {4-6}, year = {2009}, month = {DEC}, pages = {227-232}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Interactions between nanoparticles of zinc tetra phenyl porphyrin (ZnTPP) with CdSe nanoparticles in dimethyl sulphoxide solvent have been investigated. A ZnTPP-CdSe complex was formed which showed substantial changes in the UV-Vis absorption spectra in the presence of CdSe. Fluorescence measurements showed an interesting behavior at low as well as high concentrations of CdSe. When low concentrations of CdSe nanoparticles were added to the ZnTPP nanoparticles solution, besides two fluorescence bands due to ZnTPP nanoparticles, an intense new band appeared. On the other hand at high concentrations of CdSe one of the fluorescence band of ZnTPP at similar to 604 nm increased. (C) 2009 Published by Elsevier B. V.

}, issn = {0009-2614}, doi = {10.1016/j.cplett.2009.10.074}, author = {Lihitkar, N. B. and Singh, S. B. and Singh, Jai and Srivastava, O. N. and Naik, R. H. and Kulkarni, S. K.} } @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:000268233800070, title = {Optoelectronic photoinduced charge transfer system with mu 3PhN-Ru-3 cluster functionalized single-walled carbon nanotubes}, journal = {Journal of Materials Chemistry C}, volume = {113}, number = {30}, year = {2009}, month = {JUN}, pages = {13403-13408}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Optoelectronic photoinduced charges have been attracting great attention lately in view of their applicability to diverse optoelectronic device systems. Here, we report the design and implementation of a charge transfer system based on triruthenium (Ru) cluster compounds on viologen modified single-walled carbon nanotubes (V-SWNTs) by an in situ preparation method. We examine the photoinduced (intensity dependent and temporal) changes in the transport properties of the Ru-cluster functionalized V-SWNT coating and identify the possible charge transfer mechanism. Furthermore, we demonstrate the applicability of such Ru-cluster functionalized V-SWNT films to photoelectrochemical cells.

}, issn = {1932-7447}, doi = {10.1021/jp901683g}, author = {Lee, Wonjoo and Koo, Gumae and Ogale, Satishchandra B. and Han, Sung-Hwan} } @article {42580, title = {Organic memory and electrical bistability in a quinone {\textendash}based charge transfer complex}, journal = {Proceedings of the IEEE}, volume = {97}, year = {2009}, month = {AUG}, abstract = {

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

}, doi = {10.1109/JPROC.2009.2021962}, author = {Rath, Arup Kumar and Pal, Amlan J.} } @article { ISI:000270126100012, title = {Organocatalytic enantioselective synthesis of beta-blockers: (S)-propranolol and (S)-naftopidil}, journal = {Tetrahedron-Asymmetry}, volume = {20}, number = {15}, year = {2009}, month = {AUG}, pages = {1767-1770}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

An efficient enantioselective synthesis of beta-adrenergic blockers (S)-propranolol and (S)-naftopidil with \> 98\% ee using an L-proline-catalyzed alpha-aminoxylation of an aldehyde as a key step is described. (c) 2009 Elsevier Ltd. All rights reserved.

}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2009.07.002}, author = {Panchgalle, Sharad P. and Gore, Rohitkumar G. and Chavan, Subhash P. and Kalkote, Uttam R.} } @article { ISI:000265933700042, title = {Origin of high room temperature ferromagnetic moment of nanocrystalline multiferroic BiFeO3}, journal = {Applied Physics Letters}, volume = {94}, number = {18}, year = {2009}, month = {MAY}, pages = {182507}, publisher = {AMER INST PHYSICS}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {

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

}, keywords = {bismuth compounds, Combustion synthesis, crystallites, ferromagnetic materials, high-temperature effects, magnetic impurities, Magnetic moments, Magnetisation, Multiferroics, Nanostructured materials, Neel temperature, X-ray diffraction}, issn = {0003-6951}, doi = {10.1063/1.3132586}, author = {Vijayanand, S. and Potdar, H. S. and Joy, Pattayil Alias} } @article { ISI:000272083700044, title = {Orthogonal activation of propargyl and n-pentenyl glycosides and 1,2-orthoesters}, journal = {Journal of Organic Chemistry}, volume = {74}, number = {23}, year = {2009}, month = {DEC}, pages = {9233-9236}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

}, issn = {0022-3263}, doi = {10.1021/jo901837z}, author = {Vidadala, Srinivasa Rao and Thadke, Shivaji A. and Hotha, Srinivas} } @article { 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:000263491600003, title = {Oxidative kinetic resolution of alcohols using chiral Mn-salen complex immobilized onto ionic liquid modified silica}, journal = {Applied Catalysis A-General}, volume = {354}, number = {1-2}, year = {2009}, month = {FEB}, pages = {17-25}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The supported ionic liquid strategy has been applied for the immobilization of chiral Mn(III) salen complex onto ionic liquid modified silica. Chiral Mn(III) salen complex was immobilized over silica through a thin film of covalently anchored imidazolium ionic liquid. These catalysts were characterized by N(2) sorption, XRD, MR, DRUV-vis, and elemental analysis. The results showed that the chiral Mn(III) salen complex could be successfully immobilized onto the modified mesoporous materials and that the long-range mesoporous ordering of parent supports was maintained after the immobilization. The immobilized catalyst provided good enantioselectivity and activity in the heterogeneous catalysis of the oxidative kinetic resolution of secondary alcohol and can be recovered and recycled for four times without obvious loss of enantioselectivity and activity. Oxidative kinetic resolutions of meso-diols, hydroxyl ester and primary alcohol were also studied using this catalyst system. (C) 2008 Elsevier B.V. All rights reserved.

}, keywords = {Mesoporous silica, Mn(III) salen, Oxidative kinetic resolution, Secondary alcohol, Supported ionic liquid}, issn = {0926-860X}, doi = {10.1016/j.apcata.2008.10.039}, author = {Sahoo, Suman and Kumar, Pradeep and Lefebvre, F. and Halligudi, Shivaraj B.} } @article { ISI:000275045600020, title = {Observation of photoconductivity in Sn-doped ZnO nanowires and their photoenhanced field emission behavior}, journal = {Journal of Physical Chemistry C}, volume = {114}, number = {9}, year = {2010}, month = {MAR}, pages = {3843-3849}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

}, issn = {1932-7447}, doi = {10.1021/jp911080f}, author = {Sheini, Farid Jamali and More, Mahendra A. and Jadkar, Sandesh R. and Patil, K. R. and Pillai, Vijaymohanan K. and Joag, Dilip S.} } @article { ISI:000275170800011, title = {One-pot synthesis of oleic acid-capped cadmium chalcogenides (CdE: E = Se, Te) nano-crystals}, journal = {Journal of Nanoparticle Research}, volume = {12}, number = {1, SI}, year = {2010}, month = {JAN}, pages = {101-109}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

Surface-capped CdSe and CdTe nano-crystals (NCs) have been synthesized using cadmium acetate, oleic acid and respective tri-octylphosphine chalcogenide (TOPE; E = Se/Te) in diphenyl ether (DPE). Well-dispersed CdSe particles showed two absorption bands at the region of 431-34 and 458-60 nm in optical absorption study. A band-edge emission resulted at 515 nm with an excitation energy of 400 nm, in its photoluminescence (PL) spectrum. Similarly, UV-visible absorption study of CdTe revealed an absorption band at \< 700 nm. The broadened X-ray diffraction (XRD) pattern showed that at higher reaction temperature cubic CdSe but hexagonal CdTe can be obtained with crystallite size of \< 10 nm. Scanning electron microscopy (SEM) and transmission electron microscopy (TEM) revealed that agglomerated particles are of spherical nature. The inter-planar spacing in CdTe was measured to be 0.406 nm, a characteristic of (100) lattice plane in hexagonal CdTe. X-ray photoelectron spectroscopy (XPS) showed that CdSe NCs have better air stability stable than CdTe. Presence of organic moiety around the semiconductor particles was confirmed by infrared (IR) spectroscopy.

}, keywords = {Chemical synthesis, photoluminescence, Semiconductors, Surface capping}, issn = {1388-0764}, doi = {10.1007/s11051-008-9581-y}, author = {Khanna, P. K. and Rao, K. Srinivasa and Patil, K. R. and Singh, V. N. and Mehta, B. R.} } @article { ISI:000284728400014, title = {Organocatalytic asymmetric synthesis of (-)-delta-coniceine based on sequential proline-catalyzed asymmetric alpha-amination-HWE olefination}, journal = {Tetrahedron-Asymmetry}, volume = {21}, number = {19}, year = {2010}, month = {OCT}, pages = {2399-2401}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

An efficient asymmetric synthesis of (-)-delta-coniceine via sequential proline-catalyzed asymmetric alpha-amination and Horner-Wadsworth-Emmons olefination of an aldehyde with excellent enantiomeric excess (\>99\%) and high yields (overall yield 44\%) is described. (C) 2010 Elsevier Ltd. All rights reserved.

}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2010.08.009}, author = {Panchgalle, Sharad P. and Bidwai, Harshad B. and Chavan, Subhash P. and Kalkote, Uttam R.} } @article { ISI: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:000278611900017, title = {Orthogonally protected cyclohexanehexols by a {\textquoteleft}{\textquoteleft}one reaction - one product{\textquoteright}{\textquoteright} approach: efficient access to cyclitols and their analogs}, journal = {European Journal of Organic Chemistry}, number = {15}, year = {2010}, month = {MAY}, pages = {2945-2953}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {

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

}, keywords = {Alkylation, cyclitols, Inositol, Protecting groups, Regioselectivity}, issn = {1434-193X}, doi = {10.1002/ejoc.201000009}, author = {Jagdhane, Rajendra C. and Shashidhar, Mysore S.} } @article { ISI:000285797300007, title = {Oxidation of propane to acrylic acid and acetic acid over alkaline earth-doped Mo-V-Sb-O-x catalysts}, journal = {Journal of Natural Gas Chemistry}, volume = {19}, number = {6}, year = {2010}, month = {NOV}, pages = {593-599}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Alkaline earth metal (Mg, Ca, Sr and Ba)-doped Mo-V-Sb-O-x catalysts, prepared by a dry-up method, have been investigated for their catalytic performance in the oxidation of propane under different reaction conditions. The catalysts have been characterized by N-2 adsorption-desorption, temperature-programmed desorption (TPD) of NH3, SEM and XRD. Influence of water vapor on the catalytic performance, particularly on the selectivities to acetic acid and acrylic acid, has also been studied. The selectivity to acrylic acid was improved significantly by the doping of alkaline earth metals to Mo-V-Sb-O-x catalysts. The surface acidic sites of the catalyst decreased with the doping of the catalyst with alkaline earth metals, which ultimately was found to be beneficial for obtaining high selectivity to acrylic acid. The catalytic activity and product selectivities were found to be influenced by the reaction temperature, C3H8/O-2 ratio and space velocity. A significant improvement in the selectivity to acrylic acid has also been observed by the addition of water vapor in the feed of propane and oxygen in the oxidation of propane.

}, keywords = {Acetic acid, acrylic acid, alkaline earth doped Mo-V-Sb-O-x catalysts, oxidation of propane, Surface acidity}, issn = {1003-9953}, doi = {10.1016/S1003-9953(09)60122-5}, author = {Chaudhari, Chandan S. and Sable, Shailesh S. and Gurav, Hanumant and Kelkar, Ashutosh A. and Rane, Vilas H.} } @article { ISI:000274498300005, title = {Oxidative coupling of methane over La-promoted CaO catalysts: influence of precursors and catalyst preparation method}, journal = {Journal of Natural Gas Chemistry}, volume = {19}, number = {1}, year = {2010}, month = {JAN}, pages = {25-30}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The oxidative coupling of methane to C(2) hydrocarbons has been studied over a series of La-promoted CaO (La/Ca = 0.05) catalysts, prepared using different precursor salts for CaO and La(2)O(3) (viz. acetates, carbonates, nitrates and hydroxides) and catalyst preparation methods (viz. physical mixing of precursors, co-precipitation using ammonium carbonate/sodium carbonate as a precipitating agent), under different reaction conditions (temperature: 700-850 degrees C, CH(4)/O(2) ratio: 4.0 and 8.0, and GHSV: 51360 cm(3).g(-1).h(-1)). The surface area and surface basicity/base strength distribution of the catalysts have also been investigated. The surface properties and catalytic activity/selectivity of the La-promoted CaO catalysts vary from catalyst to catalyst depending on the catalyst precursors used and catalyst preparation method. The basicity/base strength distribution is strongly influenced by the precursors (for CaO and La(2)O(3)) and catalyst preparation method. Basicity (total and strong basic sites measured in terms of CO(2) chemisorbed at 50 degrees C and 500 degrees C, respectively) observed for the catalyst prepared by co-precipitation method is higher than that of the catalysts prepared by physical mixing method. The catalysts prepared by the nitrates of La- and Ca- and co-precipitated by the solution of sodium carbonate and ammonium carbonate exhibit different catalytic performance in OCM. The finding that no direct relationship between the surface basicity and catalytic activity/selectivity in OCM exists indicates that basicity is not solely responsible for obtaining high selectivity to C(2) hydrocarbons.

}, keywords = {basicity distribution, La-promoted CaO catalysts, oxidative coupling of methane}, issn = {1003-9953}, doi = {10.1016/S1003-9953(09)60023-2}, author = {Rane, Vilas H. and Chaudhari, Sopan T. and Choudhary, Vasant R.} } @article {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:000289600300032, title = {One-step in situ synthesis of NHx-adsorbed rhodium nanocrystals at liquid-liquid interfaces for possible electrocatalytic applications}, journal = {Journal of Colloid and Interface Science}, volume = {358}, number = {1}, year = {2011}, month = {JUN}, pages = {238-244}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

Nearly monodisperse rhodium nanoparticles with adsorbed NHx were synthesized at the CCl4-water interface. The presence of NHx-adsorbed species was confirmed by energy-dispersive X-ray analysis (EDX) and X-ray photoelectron spectroscopy (XPS) studies. The synthesis of controlled size 2-38 nm rhodium particles was studied as a function of reducing agent concentration by transmission electron microscopy (TEM). HRTEM confirmed the formation of rhodium nanoparticles having fringe spacing consistent with reported Rh (1 1 1) planes. The continuity of these films over an area of 1 x 1 pm was revealed by atomic force microscopy (AFM) studies. The electrocatalytic application of these nanostructure Rh-NHx), thin films for formaldehyde oxidation in 0.5 M NaOH was investigated by cyclic voltammetry. The Rh nanoparticles formed by the present strategy are expected to be useful for other catalytic applications also. (C) 2011 Elsevier Inc. All rights reserved.

}, keywords = {Hydrazine hydrate, Liquid-liquid interface, Nanoparticles, Rhodium, Thin films}, issn = {0021-9797}, doi = {10.1016/j.jcis.2011.02.065}, author = {Patil, V. S. and Krishna, S. R. and Hawaldar, Ranjit R. and Gaikwad, A. B. and Sathaye, S. D. and Patil, K. R.} } @article { ISI:000294656400011, title = {One-step stereospecific strategy for the construction of the core structure of the 5,11-methanomorphanthridine alkaloids in racemic as well as in optically pure form: synthesis of (+/-)-pancracine and (+/-)-brunsvigine}, journal = {European Journal of Organic Chemistry}, number = {24}, year = {2011}, month = {AUG}, pages = {4571-4587}, publisher = {WILEY-V C H VERLAG GMBH}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {

The unique core structure of the complex pentacyclic 5,11-methanomorphanthridine has been constructed stereospecifically in one step by an intramolecular [3+2] cycloaddition of a non-stabilized azomethine ylide (AMY), generated by the sequential double desilylation of 14 using (AgF)-F-I as a one-electron oxidant. The formation of the single diastereomer in the key step is explained by the preferred transition state produced by endo attack of the AMY on the {\textquoteleft}{\textquoteleft}Re{\textquoteright}{\textquoteright} face of the dipolarophile. An asymmetric version of the cycloaddition using a chiral dipolarophile was applied to construct the core structure 68 with 63 \% ee. This strategy was successfully applied to the formal synthesis of (+/-)-pancracine and the total synthesis of (+/-)-brunsvigine. An unprecedented and interesting skeletal rearrangement product 49 was observed during the attempted assembly of the E ring from 46 through Horner-Wadsworth-Emmons reactions. Mechanisms involving azetidinium salt formation or the Grob-type fragmentation are advanced to explain the observed rearrangement.

}, keywords = {alkaloids, Azomethine ylides, Cycloaddition, Ring-closing metathesis, synthesis design}, issn = {1434-193X}, doi = {10.1002/ejoc.201100601}, author = {Pandey, Ganesh and Kumar, Ravindra and Banerjee, Prabal and Puranik, Vedavati G.} } @article { ISI:000295552400021, title = {One-step synthesis of 4-alkyl-3-aryl-2,6-dicyanoanilines and their use in the synthesis of highly functionalized 2,3,5,6,7-and 2,3,4,5,7-substituted indoles}, journal = {Tetrahedron Letters}, volume = {52}, number = {42}, year = {2011}, month = {OCT}, pages = {5491-5493}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A three-component, one-step method for the synthesis of 4-alkyl-3-aryl-2,6-dicyanoanilines involving reaction of alkyl aldehyde, malononitrile and aryl aldehyde in presence of morpholine is reported. Highly functionalized 2,3,5,6,7- and 2,3,4,5,7-substituted indoles were prepared from these dicyanoanilines by reaction with ethyl bromoacetate. These substituted dicyanoanilines and indoles have a potential to be converted into various other compounds taking advantage of various functional groups present in these molecules. (C) 2011 Elsevier Ltd. All rights reserved.

}, keywords = {aldehydes, Dicyanoanilines, indoles, Malononitrile}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2011.08.064}, author = {Sawargave, Sangmeshwer P. and Kudale, Ananada S. and Deore, Jaydeep V. and Bhosale, Dattatry S. and Divse, Jaisingh M. and Chavan, Subhash P. and Borate, Hanumant B.} } @article { ISI:000295665400063, title = {Optical and photocatalytic properties of single crystalline ZnO at the air-liquid interface by an aminolytic reaction}, journal = {Langmuir}, volume = {27}, number = {20}, year = {2011}, month = {OCT}, pages = {12751-12759}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

}, issn = {0743-7463}, doi = {10.1021/la203006n}, author = {Vaishampayan, Mukta V. and Mulla, Imtiaz S. and Joshi, Satyawati S.} } @article { ISI:000293288500004, title = {Ordered mesoporous silica as supports in the heterogeneous asymmetric catalysis}, journal = {Catalysis Surveys from Asia}, volume = {15}, number = {3}, year = {2011}, month = {SEP}, pages = {200-214}, publisher = {SPRINGER/PLENUM PUBLISHERS}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Enantioselective synthesis of organic compounds has been studied by homogeneous catalysts for several years. However, these catalysts have yet to make a significant impact on industrial scales for fine chemical synthesis. A primary reason is the designing of a homogeneous asymmetric catalyst, which requires relatively bulky ligands and catalyst recovery and recycling often causes problems. One of the convincing ways to overcome this problem is to immobilise the asymmetric catalyst onto a solid support and the resulting heterogeneous asymmetric catalyst system can, in principle, be readily re-used. A large number of supports such as inorganic oxides including zeolites, alumina, zirconia, silica and organic polymers have been employed as supports in heterogeneous asymmetric catalysis. Therefore, in this review article we have summarized the work done by us in our laboratory on the immobilization of chiral transition metal complexes such as Ru, Ir, Mn and Ti onto ordered mesoporous silica and its asymmetric catalysis. All these immobilized catalysts were well characterized by different physicochemical techniques to confirm the structural retention of the support as well as the active metal complex after immobilization. This report includes our asymmetric catalytic investigations in enantioselective reactions such as hydrogenation of ketones, olefins, oxidation of sulfides and oxidative kinetic resolution of alcohols and sulfoxides through immobilized heterogeneous catalyst systems.

}, keywords = {Enantioselective hydrogenation, Enantioselective oxidation, Immobilization, Mesoporous silica, Oxidative kinetic resolution}, issn = {1571-1013}, doi = {10.1007/s10563-011-9122-z}, author = {Sahoo, Suman and Bordoloi, Ankur and Halligudi, Shivaraj B.} } @article { ISI:000297791400001, title = {Organocatalytic asymmetric 1,6-addition reactions}, journal = {Chemcatchem}, volume = {3}, number = {12}, year = {2011}, month = {DEC}, pages = {1847-1849}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, keywords = {Asymmetric synthesis, catalysis, Michael addition, organocatalysis, phase-transfer catalysis}, issn = {1867-3880}, doi = {10.1002/cctc.201100279}, author = {Biju, Akkattu T.} } @article { ISI:000291302900019, title = {Organocatalytic enantioselective approach to the synthesis of verbalactone and (R)-massoialactone}, journal = {Synthesis-Stuttgart}, number = {12}, year = {2011}, month = {JUN}, pages = {1954-1959}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

The organocatalytic enantioselective synthesis of verbalactone and (R)-massoialactone is described. The requisite stereogenic centers of the target molecules were constructed using L-proline-catalyzed alpha-aminoxylation and Horner-Wadsworth-Emmons (HWE) olefination. Yamaguchi macrolactonization and ring-closing metathesis were employed as key steps in the syntheses.

}, keywords = {alpha-aminoxylation, Horner-Wadsworth-Emmons olefination, L-proline, massoialactone, Ring-closing metathesis, verbalactone, Yamaguchi macrolactonization}, issn = {0039-7881}, doi = {10.1055/s-0030-1260051}, author = {Harbindu, Anand and Kumar, Pradeep} } @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:000295000900025, title = {Oxidative dehydrogenation of ethylbenzene using nitrous oxide over vanadia-magnesia catalysts}, journal = {Catalysis Science \& Technology}, volume = {1}, number = {7}, year = {2011}, month = {AUG}, pages = {1262-1270}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A series of V-Mg-O catalysts with different loadings of vanadia were prepared by the wet impregnation method and the effect of the local structure of these catalysts on the oxidative dehydrogenation of ethylbenzene with N(2)O was investigated. High styrene selectivity (similar to 97\%) was obtained at 773 K. The characterization of catalysts with methods such as XRD, FTIR, UV-visible, TPR, NMR and Laser Raman spectroscopy suggested that magnesium orthovanadate is the predominant vanadium containing phase and the size of the orthovanadate domains increases with increasing vanadia loading. The rate of ODH of ethylbenzene per V atom increases with vanadia loading and reaches a maximum at 10 wt\%. The specific activity, i.e. the conversion of ethylbenzene per unit surface area of the catalysts, also exhibited a maximum at a vanadia loading of 10 wt\% leading to the conclusion that activity of these catalysts is due to the presence of very small domains of Mg(3)(VO(4))(2) on the surface of MgO rather than crystallites of bulk Mg(3)(VO(4))(2). The higher styrene yield in the presence of N(2)O can be ascribed to the ability of N(2)O to keep vanadium species at a higher oxidation state.

}, issn = {2044-4753}, doi = {10.1039/c1cy00168j}, author = {Shiju, N. Raveendran and Anilkumar, Mettu and Gokhale, S. P. and Rao, B. Seshagiri and Satyanarayana, C. V. V.} } @article { ISI: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:000299290200019, title = {One-dimensional confinement of a nanosized metal organic framework in carbon nanofibers for improved gas adsorption}, journal = {Chemical Communications}, volume = {48}, number = {14}, year = {2012}, month = {DEC}, pages = {2009-2011}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The loading of a Zn-terephthalate based MOF in the inner cavity as well as on the outer walls of a hollow carbon nanofiber (CNF) creates MOF@CNF hybrids. This hybrid {\textquoteleft}{\textquoteleft}MOF@CNF{\textquoteright}{\textquoteright} displayed improved thermal stability as well as gas adsorption compared to the individual counterparts.

}, issn = {1359-7345}, doi = {10.1039/c2cc16877d}, author = {Pachfule, Pradip and Balan, Beena K. and Kurungot, Sreekumar and Banerjee, Rahul} } @article { ISI: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:000302634800023, title = {Organization of cubic CeO2 nanoparticles on the edges of self assembled tapered ZnO nanorods via a template free one-pot synthesis: significant cathodoluminescence and field emission properties}, journal = {Journal of Materials Chemistry}, volume = {22}, number = {18}, year = {2012}, month = {MAR}, pages = {8887-8895}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The present investigation explores the controlled architecture of a CeO2-ZnO nanocomposite via a template-free, low temperature, facile single step solvothermal approach. This complex architecture depicts cubic single crystalline CeO2 nanoparticles (size similar to 15 nm) grown on the edges of tapered ZnO nanorods with definite orientations and alignments. The formation of wurtzite ZnO, cubic CeO2 and the coexistence of Ce3+ and Ce4+ on the surface of the CeO2-ZnO nanocomposites are confirmed using various characterization tools. The finding of such unique nanostructures by a facile method is exemplified by a plausible growth mechanism. Surprisingly, the aqueous mediated ultrasonication reaction conferred the formation of crystalline ZnO nanotubes of diameter similar to 50 nm. Spatially resolved cathodoluminescence spectra are obtained by linearly scanning an individual CeO2-ZnO nanorod along its length, which reveals the size-dependent surface effects. Interestingly, such hybrid CeO2-ZnO nanoarchitecture is observed to exhibit enhanced field emission properties, demonstrating better current stability as compared to other ZnO nanostructures. This is attributed mainly to strong surface interactions between the Ce-ionic species and the ZnO nanorods. Herein, a soft-chemical approach is used for the first time to architect a binary oxide nanostructure, which is otherwise accomplished using high temperature techniques, as reported elsewhere. Also, the present work not only gives insight into understanding the hierarchical growth behaviour of the CeO2-ZnO nanocomposite in a solution phase synthetic system, but also provides an efficient route to enhance the field emission performance of ZnO nanostructures, which could be extended to other potential applications, such as chemical sensors, optoelectronic devices and photocatalysts.

}, issn = {0959-9428}, doi = {10.1039/c2jm30226h}, author = {Warule, Sambhaji S. and Chaudhari, Nilima S. and Kale, Bharat B. and Patil, Kashinath R. and Koinkar, Pankaj M. and More, Mahendra A. and Murakami, Ri-ichi} } @article { ISI:000310215100010, title = {Organocatalytic dynamic kinetic resolution via conjugate addition: synthesis of chiral trans-2,5-dialkylcyclohexanones}, journal = {Organic \& Biomolecular Chemistry}, volume = {10}, number = {41}, year = {2012}, month = {AUG}, pages = {8260-8267}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A novel strategy of initiating an organocatalysed dynamic kinetic resolution (dr up to 99 : 1 and er up to 94 : 6) for the synthesis of chiral trans-2,5-dialkylcyclohexanones by an asymmetric conjugate addition of dimethyl malonate on to 6-substituted cyclohexenones is reported.

}, issn = {1477-0520}, doi = {10.1039/c2ob26597d}, author = {Pandey, Ganesh and Adate, Priyanka A. and Puranik, Vedavati G.} } @article { ISI:000304129000011, title = {Organocatalytic sequential alpha-amination/corey-chaykovsky reaction of aldehydes: a high yield synthesis of 4-hydroxypyrazolidine derivatives}, journal = {Organic Letters}, volume = {14}, number = {10}, year = {2012}, month = {MAY}, pages = {2468-2471}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A tandem reaction of in situ generated a-amino aldehydes with dimethyloxosulfonium methylide under Corey-Chaykovsky reaction conditions proceeds efficiently to give 4-hydroxypyrazolidine derivatives in high yields with excellent enantio- and diastereoselectivities. This organocatalytic sequential method provides for the efficient synthesis of anti-1,2-aminoalcohols, structural subunits present in several bioactive molecules as well.

}, issn = {1523-7060}, doi = {10.1021/ol300739b}, author = {Kumar, B. Senthil and Venkataramasubramanian, V. and Sudalai, Arumugam} } @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 { ISI:000307143600015, title = {Overview on the cellulose based conducting composites}, journal = {Composites Part B-Engineering}, volume = {43}, number = {7, SI}, year = {2012}, month = {OCT}, pages = {2822-2826}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

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

}, keywords = {Fibres, mechanical properties, Nano-structures, Polymer-matrix composites (PMCs)}, issn = {1359-8368}, doi = {10.1016/j.compositesb.2012.04.045}, author = {Pandey, Jitendra Kumar and Takagi, Hitoshi and Nakagaito, Antonio Norio and Saini, Daulat Ram and Ahn, Sung-Hoon} } @article { ISI:000315818200024, title = {One pot room temperature synthesis of robust gold nanochains}, journal = {RSC Advances}, volume = {3}, number = {13}, year = {2013}, month = {JAN}, pages = {4261-4270}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

We report a room temperature reduction and stabilization of gold nanoparticles (AuNPs) from auric chloride in the presence of 1.5 and 3 mM linear poly(amidoamine) (PAmAm), which leads to 1D assembly of AuNPs. At higher concentrations, isolated AuNPs are formed. Detailed investigations show that the morphology is governed primarily by pH rather than concentration. This is the first report to demonstrate the stability of nanochains against pH switching. The nanochains are robust as revealed by stability at higher temperature, salt concentration, thiol exchange, and would be useful in developing electronic devices for biological applications.

}, issn = {2046-2069}, doi = {10.1039/c3ra22803g}, author = {Biradar, Satish C. and Kulkarni, Mohan G.} } @article { ISI:000313694200024, title = {One pot solvent free synthesis and in vitro antitubercular screening of 3-aracylphthalides against mycobacterium tuberculosis}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {23}, number = {3}, year = {2013}, month = {FEB}, pages = {711-714}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

One pot synthesis of 3-Aracylphthalide was accomplished in good yield by reacting 2-carboxy benzaldehyde with various aromatic methyl ketones in presence of methane sulphonic acid. Various phthalides thus obtained were characterized with spectral techniques. These phthalides were subjected to in vitro antitubercular screening against Mycobacterium tuberculosis H37Ra (MTB) by using XRMA protocol. Among the phthalides screened, four exhibited half maximal inhibitory concentration (IC50) in the range of 0.81-1.24 mu g/ml thereby providing potential lead compounds for future drug discovery studies. (c) 2012 Elsevier Ltd. All rights reserved.

}, keywords = {3-Aracylphthalide, Antitubercular activity, Methane sulphonic acid, One pot synthesis}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2012.11.097}, author = {Limaye, Rohan A. and Kumbhar, Virendra B. and Natu, Arun D. and Paradkar, Madhusudan V. and Honmore, Varsha S. and Chauhan, Rubia R. and Gample, Suvarna P. and Sarkar, Dhiman} } @article { ISI:000316238400025, title = {One pot synthesis, growth mechanism and optical properties of Zn1-xCdxSe graded core/shell and alloy nanocrystals}, journal = {Journal of Luminescence}, volume = {135}, year = {2013}, month = {MAR}, pages = {154-159}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Comparatively higher photoluminescence yield along with robustness of core/shell semiconductor nanocrystals make them attractive candidates for studying intricate quantum size effects. Here, we report, one pot synthesis of Zn1-xCdxSe graded core/shell structures by exploiting change in the reactivity of precursors. Optical and structural measurements indicate formation of graded structure. Growth mechanism probed by inductively coupled plasma atomic emission spectroscopy shows formation of graded core/shell structure, with CdSe rich core and ZnSe rich shell. Annealing these nanocrystals, in chemical bath, leads to diffusion of Cd from core to shell region. Formation of Zn1-xCdxSe alloy is also observed in X-ray photoelectron spectroscopic measurements, confirming the diffusion of Cd from core to shell region. Substantially high photoluminescence quantum efficiency of 60\% with narrow line width of about 27 nm, was observed and is attributable to the reduced strain due to graded core/shell structure. (C) 2012 Elsevier B.V. All rights reserved.

}, keywords = {Graded core/shell, II-VI Semiconductor, Luminescence, Optical properties, Semiconductor alloy}, issn = {0022-2313}, doi = {10.1016/j.jlumin.2012.10.042}, author = {Sonawane, Kiran G. and Patil, K. R. and Mahamuni, Shailaja} } @article { ISI:000316351800012, title = {One size does not fit all: on how markov model order dictates performance of genomic sequence analyses}, journal = {Nucleic Acids Research}, volume = {41}, number = {3}, year = {2013}, month = {FEB}, pages = {1416-1424}, publisher = {OXFORD UNIV PRESS}, address = {GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND}, abstract = {

The structural simplicity and ability to capture serial correlations make Markov models a popular modeling choice in several genomic analyses, such as identification of motifs, genes and regulatory elements. A critical, yet relatively unexplored, issue is the determination of the order of the Markov model. Most biological applications use a predetermined order for all data sets indiscriminately. Here, we show the vast variation in the performance of such applications with the order. To identify the {\textquoteleft}optimal{\textquoteright} order, we investigated two model selection criteria: Akaike information criterion and Bayesian information criterion (BIC). The BIC optimal order delivers the best performance for mammalian phylogeny reconstruction and motif discovery. Importantly, this order is different from orders typically used by many tools, suggesting that a simple additional step determining this order can significantly improve results. Further, we describe a novel classification approach based on BIC optimal Markov models to predict functionality of tissue-specific promoters. Our classifier discriminates between promoters active across 12 different tissues with remarkable accuracy, yielding 3 times the precision expected by chance. Application to the metagenomics problem of identifying the taxum from a short DNA fragment yields accuracies at least as high as the more complex mainstream methodologies, while retaining conceptual and computational simplicity.

}, issn = {0305-1048}, doi = {10.1093/nar/gks1285}, author = {Narlikar, Leelavati and Mehta, Nidhi and Galande, Sanjeev and Arjunwadkar, Mihir} } @article { ISI:000326122200015, title = {One-pot fluorescent labeling protocol for complex hydroxylated bioactive natural products}, journal = {Journal of Organic Chemistry}, volume = {78}, number = {20}, year = {2013}, month = {OCT}, pages = {10192-10202}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

}, issn = {0022-3263}, doi = {10.1021/jo401559t}, author = {Haldar, Saikat and Kumar, Santosh and Kolet, Swati P. and Patil, Harshal S. and Kumar, Dhiraj and Kundu, Gopal C. and Thulasiram, Hirekodathakallu V.} } @article { ISI:000323020400047, title = {One-pot migration-formylation of benzyl aryl ethers under duff reaction condition}, journal = {Tetrahedron Letters}, volume = {54}, number = {35}, year = {2013}, month = {AUG}, pages = {4789-4792}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A one-pot migration-formylation of benzyl aryl ethers under Duff reaction condition is described. The reaction was performed with HMTA (hexamethylene tetramine) and TFA (trifluoroacetic acid). Under the optimal reaction conditions, a variety of Bn and PMB ethers underwent ortho rearrangement. (C) 2013 Elsevier Ltd. All rights reserved.

}, keywords = {Benzyl aryl ethers, Duff reaction, Hexamethylene tetramine, One-pot, ortho Rearrangement}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2013.06.133}, author = {Chavan, Subhash P. and Lasonkar, Pradeep B.} } @article {42690, title = {One-pot process for the conversion of aroyl chlorides to acyl thioureas}, number = {US 14/650,778}, year = {2013}, month = {JUL}, type = {Application}, chapter = {PCT/IN2013/000758}, abstract = {

The present invention disclose an improved one pot process for synthesis of acyl thioureas of formula (I), with yield greater than 80\%, from aroyl chlorides of formula (I) wherein, R' is an aryl or a heteroarylene group substituted with one or more groups selected from hydrogen, alkyl, alkylene, alkynyl, alkoxy, alkenyloxy, halo, hydroxyl, nitro, amino, carboxyl, ester, halogenated hydrocarbon or an aryl or heteroaryl; R" and R'" are selected independently from hydrogen, alkyl, alkylene, alkynyl, alkoxy, alkenyloxy, halo, hydroxyl, nitro, amino or halogenated hydrocarbon.

}, author = {Ramana, Chepuri V. and Senthilkumar, B.} } @article { ISI:000314381700030, title = {One-pot synthesis of gold nanoparticle/molybdenum cluster/graphene oxide nanocomposite and its photocatalytic activity}, journal = {Applied Catalysis B-Environmental}, volume = {130}, year = {2013}, month = {FEB}, pages = {270-276}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The paper reports on a facile one-pot synthesis of a tri-component gold nanoparticle/molybdenum cluster/graphene oxide (AuNPs@Mo-GO) nanohybrid composite. The synthetic methodology consists on direct UV irradiation of an aqueous solution containing graphene oxide (GO), Na-2[Mo6Br8(N-3)(6)], HAuCl4 center dot 3H(2)O and isopropanol at room temperature in air using a UV fiber lamp. The composite material exhibits very high photocatalytic activity for the degradation of rhodamine B under visible light irradation. The resulting nanohybrid material was characterized using Raman spectroscopy, UV-vis spectrometry, transmission electron microscopy (TEM) and X-ray photoelectron spectroscopy (XPS). (c) 2012 Elsevier B.V. All rights reserved.

}, keywords = {gold nanoparticles, graphene oxide, Nanohybrid, Photodegradation, Rhodamine B, visible light, [Mo6Br8(N-3)(6)](2-)cluster}, issn = {0926-3373}, doi = {10.1016/j.apcatb.2012.11.017}, author = {Barras, Alexandre and Das, Manash R. and Devarapalli, Rami Reddy and Shelke, Manjusha V. and Cordier, Stephane and Szunerits, Sabine and Boukherroub, Rabah} } @article { ISI:000315540200007, title = {One-step method for the synthesis of aryl olefins from aryl aldehydes and aliphatic aldehydes}, journal = {Tetrahedron Letters}, volume = {54}, number = {12}, year = {2013}, month = {MAR}, pages = {1528-1530}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A conceptually new one-step reaction affording unexpected aryl olefinic product from aromatic aldehyde, aliphatic aldehyde and malononitrile in the presence of acetic acid-ammonium acetate under mild reaction conditions without using any metal catalyst is reported. This novel reaction was used to prepare a number of substituted aryl olefins including new molecules. (c) 2013 Elsevier Ltd. All rights reserved.

}, keywords = {Aliphatic aldehyde, Aromatic aldehyde, Aryl olefin, Dicyanoaniline, Malononitrile}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2013.01.008}, author = {Borate, Hanumant B. and Gaikwad, Supriya H. and Kudale, Ananada S. and Chavan, Subhash P. and Pharande, Shrikant G. and Wagh, Vitthal D. and Sawant, Vikram S.} } @article { ISI: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:000312999200020, title = {Optimization of the production of a maltooligosaccharides producing amylase from the alkalophilic streptomyces lonarensis strain NCL 716 using SVR modeling}, journal = {Starch-Starke}, volume = {65}, number = {1-2}, year = {2013}, month = {JAN}, pages = {179-185}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

The Streptomyces lonarensis strain NCL 716 hydrolyses starch to produce a mixture of maltotriose (G3) and maltotetraose (G4) along with maltose (G2). The objective of the present work was to determine an optimum cost effective media composition for the production of a-amylase from this strain. The most influential factor was found to be starch while the least influential factor found was peptone by PlackettBurman method. Peptone amount was kept constant throughout the fermentation. Peptone, which is one of the expensive media components was used at a concentration of 1?g/L, which made the optimum media composition cost effective. A support vector regression-based process model was developed for approximating the non-linear relationship between the fermentation operating variables and the a-amylase yield. Multicanonical Jump Walk Annealing, a stochastic optimization technique is used to obtain optimal operating variables to maximize amylase yield. The maximum amylase activity thus obtained was in good agreement with the experimental values at the optimized levels. The optimum media composition obtained by this method was: yeast extract: 4.53?g/L, starch: 20.246?g/L, K2HPO4: 0.0827\%, MgSO4: 0.15\%, peptone: 1?g/L. A maximum enzyme activity of 297?U/mL, which was achieved using the above approaches compares well with the activity of reported amylases producing maltooligosaccharides.

}, keywords = {Alkaline a-amylase, Optimization, Streptomyces, Support vector regression analysis}, issn = {0038-9056}, doi = {10.1002/star.201200094}, author = {Sharma, Trupti K. and Bhadane, Vaibhav A. and Kumar, Lalitha S. and Rele, Meenakshi V. and Bhawar, Gajanan and Rahman, Imran} } @article { ISI:000315968900025, title = {Organophotocatalysis in nanostructured soft gel materials as tunable reaction vessels: comparison with homogeneous and micellar solutions}, journal = {Journal of Materials Chemistry A}, volume = {1}, number = {14}, year = {2013}, month = {FEB}, pages = {4577-4588}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Riboflavin tetraacetate-catalyzed aerobic photooxidation of 1-(4-methoxyphenyl)ethanol was investigated as a model reaction under blue visible light in different soft gel materials, aiming to establish their potential as reaction vessels for photochemical transformations. Three strategies involving different degrees of organization of the catalyst within the gel network were explored, and the results compared to those obtained in homogeneous and micellar solutions. In general, physical entrapment of both the catalyst and the substrate under optimized concentrations into several hydrogel matrices (including low-molecular-weight and biopolymer-based gels) allowed the photooxidation with conversions between 55 and 100\% within 120 min (TOF similar to 0.045-0.08 min(-1); k(obs) similar to 0.011-0.028 min(-1)), albeit with first-order rates ca. 1-3-fold lower than in solution under comparable non-stirred conditions. Remarkably, the organogel made of a cyclohexane-based bisamide gelator in CH3CN not only prevented the photodegradation of the catalyst but also afforded full conversion in less than 60 min (TOF similar to 0.167 min(-1); k(obs) similar to 0.073 min(-1)) without the need of additional proton transfer mediators (e. g., thiourea) as it occurs in CH3CN solutions. In general, the gelators could be recycled without detriment to their gelation ability and reaction rates. Moreover, kinetics could be fine-tuned according to the characteristics of the gel media. For instance, entangled fibrillar networks with relatively high mechanical strength were usually associated with lower reaction rates, whereas wrinkled laminated morphologies seemed to favor the reaction. In addition, the kinetics results showed in most cases a good correlation with the aeration efficiency of the gel media.

}, issn = {2050-7488}, doi = {10.1039/c3ta01109g}, author = {Bachl, Jurgen and Hohenleutner, Andreas and Dhar, Basab Bijayi and Cativiela, Carlos and Maitra, Uday and Koenig, Burkhard and Diaz, David Diaz} } @article { ISI:000319647600012, title = {Orientation of the beta-hydroxyl group controls the diastereoselectivity during the hydride reduction and grignard reaction of inososes}, journal = {Tetrahedron}, volume = {69}, number = {25}, year = {2013}, month = {JUN}, pages = {5144-5151}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A comparison of the results of the Grignard reaction and the hydride reduction of the carbonyl group of epi- and scyllo-inososes reveals that the extent of diastereoselectivity of these reactions is decided by the orientation of the beta-hydroxyl group (or its derivative). Presence of an axial beta-hydroxyl group generally results in the formation of relatively larger amount of the axial alcohol as a result of the reduction of the carbonyl group. The possible reasons for the observed differences in diastereoselectivity between the reactions of these isomeric epi- and scyllo-inososes have been discussed. The sequence of reactions reported here provides convenient access to C-allcylated inositols, such as iso-laminitol and iso-mytilitol as well as 2-O-methyl epi-inositol, an epimer of the naturally occurring ononitol. (C) 2013 Elsevier Ltd. All rights reserved.

}, keywords = {Cyclitol, diastereoselectivity, Grignard, Inositol, Nucleophile, reduction}, issn = {0040-4020}, doi = {10.1016/j.tet.2013.04.081}, author = {Jagdhane, Rajendra C. and Patil, Madhuri T. and Krishnaswamy, Shobhana and Shashidhar, Mysore S.} } @article { ISI:000315168800015, title = {Orthanilic acid-promoted reverse turn formation in peptides}, journal = {Chemical Communications}, volume = {49}, number = {22}, year = {2013}, month = {JAN}, pages = {2222-2224}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Orthanilic acid (2-aminobenzenesulfonic acid, (S)Ant), an aromatic beta-amino acid, has been shown to be highly useful in inducing a folded conformation in peptides. When incorporated into peptide sequences (Xaa-(S)Ant-Yaa), this rigid aromatic beta-amino acid strongly imparts a reverse-turn conformation to the peptide backbone, featuring robust 11-membered-ring hydrogen-bonding.

}, issn = {1359-7345}, doi = {10.1039/c3cc40522b}, author = {Kale, Sangram S. and Priya, Gowri and Kotmale, Amol S. and Gawade, Rupesh L. and Puranik, Vedavati G. and Rajamohanan, P. R. and Sanjayan, Gangadhar J.} } @article { ISI:000313009000014, title = {Over-expression of a subgroup 4 R2R3 type MYB transcription factor gene from Leucaena leucocephala reduces lignin content in transgenic tobacco}, journal = {Plant Cell Reports}, volume = {32}, number = {1}, year = {2013}, month = {JAN}, pages = {161-171}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

LlMYB1 , a subgroup 4 R2R3-type MYB transcription factor gene from Leucaena leucocephala appears to be a repressor of lignin biosynthesis pathway by regulating the transcription of general phenylpropanoid pathway genes. R2R3MYB transcription factors are known to play a wide role in regulating the phenylpropanoid pathway in plants. In this study, we report isolation, cloning and characterization of an R2R3MYB transcription factor gene (LlMYB1) from an economically important tree species, Leucaena leucocephala. LlMYB1 consists of 705 bp coding sequence corresponding to 235 amino acids. Sequence alignment revealed that the N-terminal (MYB) domain of the gene shares up to 95 \% similarity with subgroup 4 (Sg4) members of R2R3Myb gene family functionally known to be lignin repressors. Highly divergent C-terminal region of the gene carried an ERF-associated amphiphilic repression (EAR) motif, another characteristic of the Sg4. The gene was phylogenetically grouped closest with AmMYB308, a known repressor of monolignol biosynthetic pathway genes. Spatio-temporal expression studies at different ages of seedlings using quantitative real-time PCR (QRT-PCR) showed highest transcript level of the gene in 10 day old stem tissues. Over-expression of the gene in transgenic tobacco showed statistically significant decline in the transcript levels of the general phenylpropanoid pathway genes and reduction in lignin content. Our study suggests that LlMYB1 might be playing the role of a repressor of lignin biosynthesis in L. leucocephala.

}, keywords = {Leucaena leucocephala, lignin, R2R3MYB, Repressor, Transcript level}, issn = {0721-7714}, doi = {10.1007/s00299-012-1350-9}, author = {Omer, Sumita and Kumar, Santosh and Khan, Bashir Mohammad} } @article { ISI:000327052700035, title = {Oxidative dehydrogenation of ethyl benzene to styrene over hydrotalcite derived cerium containing mixed metal oxides}, journal = {Green Chemistry}, volume = {15}, number = {11}, year = {2013}, month = {SEP}, pages = {3259-3267}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Cerium containing mixed oxides derived from hydrotalcites was prepared and its catalytic activity was studied for oxidative dehydrogenation of ethyl benzene to styrene. Structural, spectroscopic and morphological features of the catalyst have been thoroughly examined with various physico-chemical characterization methods. Raman spectroscopy studies show evidence for oxygen vacancies in lower loadings of cerium which enhanced the oxygen migration. The transmission electron microscopy image showed good dispersion of ceria clusters on the mixed metal oxide. The catalytic activity results suggested that the conversion of ethyl benzene and styrene yield is stable for at least 12 hours without any significant catalyst deactivation. The styrene selectivity and ethyl benzene conversion were higher in a catalyst containing 0.03 mole percentage of cerium. Structural features of the spent catalysts have also been examined to demonstrate the stability of the catalyst during the reaction.

}, issn = {1463-9262}, doi = {10.1039/c3gc41321g}, author = {Venugopal, Ashok Kumar and Venugopalan, Aswathy Thareparambil and Kaliyappan, Periyasamy and Raja, Thirumalaiswamy} } @article { ISI: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: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:000341619600016, title = {Observation of the marcus inverted region for bimolecular photoinduced electron-transfer reactions in viscous media}, journal = {Journal of Physical Chemistry B}, volume = {118}, number = {36}, year = {2014}, month = {SEP}, pages = {10704-10715}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The general observation of Marcus inverted region (MIR) for bimolecular electron-transfer (ET) reactions in different viscous media, e.g., micelles, reverse micelles, vesicles, ionic liquids, DNA scaffold, etc. has been doubted in some recent publications arguing limitations in SternVolmer (SV) analysis to account for the static and transient stages of quenching in these slow diffusing media. Thus, following a theoretical treatment based on a spherically symmetric diffusion equation coupled with conventional Marcus ET description, it has been suggested that the MIR observed in viscous media arises due to the inadequate consideration of different quenching regimes and also due to the differential excited-state lifetimes of the fluorophores used than a genuine one (J. Am. Chem. Soc. 2012, 134, 11396). However, the overall treatment in this study is severely compromised by setting the minimum solvent reorganization energy (?s) to (lambda) to similar to 0.96 eV while fitting the experimental data, which unambiguously suggests that the inversion in ET rate will never appear in the exergonicity (-Delta G(0)) range of 0.16 to 0.71 eV, as is the case for the studied ET systems. Besides, the applicability of the conventional Marcus ET model (instead of Sumi-Marcus two-dimensional ET model) in such extremely viscous media with exceptionally slow solvent response is highly debatable and perhaps is the main cause of the failure in fitting the experimental data quite satisfactorily. In the present study involving ultrafast ET quenching for coumarin derivatives by dimethylaniline donor in viscous ionic liquid media, we demonstrate clear MIR for the intrinsic ET rates, directly obtained from the ultrafast decay components of 110 ps, a time scale in which diffusion of reactants is negligible and the ET rates are either faster than or, at the most, competitive with the solvent reorganization. The appearance of MIR at ?Delta G(0) similar to-0.5 eV, significantly lower than expected from the lambda(s) value, further substantiate the nonapplicability of conventional ET description but certainly advocate for the applicability of the SumiMarcus two-dimensional ET model in such media. Moreover, no obvious correlation has experimentally been observed between the excited-state lifetimes of the coumarin derivatives and the ET rates for a large number of dyes used in the present study. On the basis of the present results and drawing inferences from reported literatures in viscous media, we conclude that not only is the appearance of MIR very genuine but also the mechanistic model necessary to account the observed facts for the bimolecular ET reactions in a viscous medium is the two-dimensional ET description, which deals with an extremely slow relaxing solvent coordinate and a fast relaxing intramolecular coordinate to describe the ET reactions.

}, issn = {1520-6106}, doi = {10.1021/jp506885r}, author = {Kumbhakar, Manoj and Manna, Arpan and Sayed, Mhejabeen and Kumar, Anil and Pal, Haridas} } @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:000344132400051, title = {Oligomer-salt derived 3D, heavily nitrogen doped, porous carbon for Li-ion hybrid electrochemical capacitors application}, journal = {Carbon}, volume = {80}, year = {2014}, month = {DEC}, pages = {462-471}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

3D high surface area porous carbon is seen to form via self assembly of porous graphene sheets by direct pyrolysis of an oligomer salt tailored for the realization of molecular level activation. The oligomer salt was derived from 4-amino benzoic acid as the monomer by a facile free radical polymerization process. Incorporation of the functional groups (-COONa) eliminate the need for any external activating agents (KOH, ZnCl2, etc.) and also render high degree of sub-nanoscale homogeneity. This oligomer derived carbon (ODC) exhibits efficient performance in non-aqueous charge storage application namely Li-ion hybrid electrochemical capacitor (Li-HEC) owing to its high surface area, 3D interconnectivity and an appropriate pore size distribution. The Li-HEC fabricated with ODC based electrodes delivered a maximum energy density of similar to 63 Wh kg(-1) with spinel L4Ti5O12 as the anode. (C) 2014 Elsevier Ltd. All rights reserved.

}, issn = {0008-6223}, doi = {10.1016/j.carbon.2014.08.086}, author = {Gokhale, Rohan and Aravindan, Vanchiappan and Yadav, Prasad and Jain, Srashti and Phase, Deodatta and Madhavi, Srinivasan and Ogale, Satishchandra} } @article { ISI:000344458100024, title = {One molecule of ionic liquid and tert-alcohol on a polystyrene-support as catalysts for efficient nucleophilic substitution including fluorination}, journal = {Organic \& Biomolecular Chemistry}, volume = {12}, number = {45}, year = {2014}, month = {OCT}, pages = {9264-9271}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The tert-alcohol and ionic liquid solvents in one molecule [mim-(OH)-O-t][OMs] was immobilized on polystyrene and reported to be a highly efficient catalyst in aliphatic nucleophilic substitution using alkali metal salts. Herein, we investigated the catalytic activity of a new structurally modified polymer-supported tert-alcohol functionalized imidazolium salt catalyst in nucleophilic substitution of 2-(3-methanesulfonyl-oxypropyoxy) naphthalene as a model substrate with various metal nucleophiles. The tert-alcohol moiety of the ionic liquid with a hexyl chain distance from polystyrene had a better catalytic activity compared to the other resin which lacked an alkyl linker and tert-alcohol moiety. We found that the maximum [mim-(OH)-O-t][OMs] loading had the best catalytic efficacy among the tested polystyrene-based ionic liquids (PSILs) in nucleophilic fluorination. The catalytic efficiency of the PS[him-(OH)-O-t][OMs] as a phase transfer catalyst (PTC) was determined by carrying out various nucleophilic substitutions using the corresponding alkali metal salts from the third to sixth periodic in CH3CN or tert-BuOH media. The scope of this protocol with primary and secondary polar substrates containing many heteroatoms is also reported. This PS [him-(OH)-O-t][OMs] catalyst not only enhances the reactivity of alkali metal salts and reduces the formation of by-products but also affords high yield with easy isolation.

}, issn = {1477-0520}, doi = {10.1039/c4ob01781a}, author = {Shinde, Sandip S. and Patil, Sunil N.} } @article { ISI:000338748400051, title = {One-pot synthesis of 5-hydroxymethylfurfural by cellulose hydrolysis over highly active bimodal micro/mesoporous H-ZSM-5 catalyst}, journal = {ACS Sustainable Chemistry \& Engineering}, volume = {2}, number = {7}, year = {2014}, month = {JUL}, pages = {1928-1932}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Direct synthesis of 5-hydroxymethylfurfural (5-HMF), a useful renewable biofuel and biochemical, was systematically studied by hydrolysis of microcrystalline cellulose over Bimodal-HZ-5 zeolite. Bimodal-HZ-5 zeolite obtained by post-synthesis modification of H-ZSM-5 with desilication was found to be a potential heterogeneous catalyst with 67\% cellulose conversion and 46\% yield of 5-HMF. Bimodal-HZ-5 was observed to be reusable for four cycles, without any loss in activity. The detailed optimization of process parameters and catalyst reusability are also presented. The present study opens a new avenue for the renewable one-pot synthesis of 5-HMF, a valuable product.

}, keywords = {5-Hydroxymethylfurfural, Biomodal-HZ-5, glucose, Hydrolysis, Microcrystalline cellulose}, issn = {2168-0485}, doi = {10.1021/sc500270z}, author = {Nandiwale, Kakasaheb Y. and Galande, Nitish D. and Thakur, Pratika and Sawant, Sanjay D. and Zambre, Vishal P. and Bokade, Vijay V.} } @article { ISI:000328606500014, title = {One-pot synthesis of cyclic carbonates from aldehydes, sulfur ylide, and CO2}, journal = {Synlett}, volume = {25}, number = {1}, year = {2014}, month = {JAN}, pages = {97-101}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

Treatment of aldehydes with sulfur ylide (CH2=SOMe2 or CH2=SMe2), in the presence of CO2 (1 atm) bubbled sequentially under mild conditions, produces cyclic carbonates in preparative yields. Sodium iodide formed in situ promotes the reaction between epoxide as intermediate and CO2 at ambient conditions, thus constituting a powerful metal-free synthesis of organic cyclic carbonates directly from aldehydes.

}, keywords = {Carbon dioxide, cyclic carbonates, cyclization, epoxides, Insertion}, issn = {0936-5214}, doi = {10.1055/s-0033-1340072}, author = {Aher, Ravindra D. and Kumar, B. Senthil and Sudalai, Arumugam} } @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.} } @inbook {43326, title = {Open-source tools, techniques, and data in chemoinformatics}, booktitle = {Practical Chemoinformatics}, year = {2014}, pages = {1-92}, publisher = {Springer}, organization = {Springer}, chapter = {Open-Source Tools, Techniques, and Data in Chemoinformatics}, abstract = {

Chemicals are everywhere and they are essentially composed of atoms and bonds that support life and provide comfort. The numerous combinations of these entities lead to the complexity and diversity in the universe. Chemistry is a subject which analyzes and tries to explain this complexity at the atomic level. Advancement in this subject led to more data generation and information explosion. Over a period of time, the observations were recorded in chemical documents that include journals, patents, and research reports. The vast amount of chemical literature covering more than two centuries demands the extensive use of information technology to manage it. Today, the chemoinformatics tools and methods have grown powerful enough to handle and discover unexplored knowledge from this huge resource of chemical information. The role of chemoinformatics is to add value to every bit of chemical data. The underlying theme of this domain is how to develop efficient chemical with predicted physico-chemical and biological properties for economic, social, health, safety, and environment. In this chapter, we begin with a brief definition and role of open-source tools in chemoinformatics and extend the discussion on the need for basic computer knowledge required to understand this specialized and interdisciplinary subject. This is followed by an in-depth analysis of traditional and advanced methods for handling chemical structures in computers which is an elementary but essential precursor for performing any chemoinformatics task. Practical guidance on step-by-step use of open-source, free, academic, and commercial structure representation tools is also provided. To gain a better understanding, it is highly recommended that the reader attempts the practice tutorials, Do it yourself exercises, and questions given in each chapter. The scope of this chapter is designed for experimental chemists, biologists, mathematicians, physicists, computer scientists, etc. to understand the subject in a practical way with relevant and easy-to-understand examples and also to encourage the readers to proceed further with advanced topics in the subsequent chapters.

}, doi = {10.1007/978-81-322-1780-0_1 }, author = {Karthikeyan, Muthukumarasamy} } @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:000337785400041, title = {Organic soluble and uniform film forming oligoethylene glycol substituted BODIPY small molecules with improved hole mobility}, journal = {Physical Chemistry Chemical Physics}, volume = {16}, number = {26}, year = {2014}, month = {MAY}, pages = {13376-13382}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Judiciously chosen side chains of conjugated molecules have a positive impact on charge transport properties when used as the active material in organic electronic devices. Amongst the side chains, oligoethylene glycols (OEGs) have been relatively unexplored due to their hydrophilic nature. OEGs also affect the smooth film formation of conjugated molecules, which preclude device fabrication. However, X-ray diffraction studies have shown that OEGs facilitate intermolecular contact, which is a desirable property for the fabrication of organic electronic devices. Thus the challenge is to design and synthesize organic solvent soluble and uniform film forming conjugated molecules with OEG side chains. We have designed and synthesized conjugated small molecules (CSMs) comprising BODIPY as acceptor and triphenylamine as donor with an OEG side chain. This molecule forms smooth films when processed from organic solvents. In order to understand the impact of the OEG side chain, we have also synthesized alkyl chain analogs. All the molecules exhibit exactly the same HOMO and LUMO energy levels, but the packing in the solid state is different. CSM with methyl side chains exhibit an inter planar distance of 4.15 A. Contrary to this, the OEG side chain containing CSM showed an inter planar spacing of 4.30 A, which is 0.2 A less than the alkyl side chain comprising CSMs. Please note that the length of the hydrophobic and hydrophilic side chains is the same. Interestingly, the OEG side chain comprising CSM showed two orders of higher hole carrier mobilities compared to all the other derivatives. The same molecule also showed an extremely low threshold voltage of -0.27 V indicating the OEG side chains{\textquoteright} favourable interaction between substrate as well as between molecules.

}, issn = {1463-9076}, doi = {10.1039/c4cp01098a}, author = {Singh, Saumya and Venugopalan, Vijay and Krishnamoorthy, Kothandam} } @article { ISI:000329039000021, title = {Organocatalytic stereoselective approach to the total synthesis of (-)-halosaline}, journal = {RSC Advances}, volume = {4}, number = {7}, year = {2014}, month = {NOV}, pages = {3238-3244}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A practical and efficient organocatalytic approach to the synthesis of substituted piperidine alkaloids in high enantio- and diastereomeric excess was achieved using proline-catalyzed sequential alpha-aminoxylation/alpha-amination reaction and HWE olefination reaction of an aldehyde.

}, issn = {2046-2069}, doi = {10.1039/c3ra44700f}, author = {Jha, Vishwajeet and Kumar, Pradeep} } @article { ISI: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 { ISI:000361834900002, title = {One step synthesis of ethyl levulinate biofuel by ethanolysis of renewable furfuryl alcohol over hierarchical zeolite catalyst}, journal = {RSC Advances}, volume = {5}, number = {97}, year = {2015}, month = {SEP}, pages = {79224-79231}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Ethanolysis of renewable furfuryl alcohol (FAL) to ethyl levulinate (EL) biofuel over various zeolites viz. H-ZSM-5 (microporous, medium pore), Hierarchical-HZ-5 (combination of micro-and meso pore), H-Beta (microporous, large pore) and Ultra Stable Y (USY, microporous, large pore) was studied in detail. To the best of our knowledge, probably for the first time, Hierarchical-HZ-5 synthesized by desilication post-treatment has been employed as a heterogeneous catalyst for ethanolysis of FAL. The synthesized catalysts were characterized by powder X-ray diffraction (PXRD), temperature programmed NH3 desorption (TPAD), Energy dispersive X-ray analysis (EDAX), etc. Response surface methodology (RSM) with Box-Behnken experimental design (BBD) was used to investigate the influence of three crucial process variables of ethanolysis such as ethanol to FAL molar ratio, percent catalyst loading and reaction temperature on EL yield. The optimization tool of design expert software was employed to obtain the optimum reaction parameters for FAL ethanolysis over Hierarchical-HZ-5 catalyst. Three intermediates of FAL ethanolysis reaction such as, ethoxymethylfuran (EMF), 4,5,5-triethoxypentan-2-one and diethyl ether (DEE) have been identified and quantified from the product mixture with the aid of Gas Chromatography-Mass Spectroscopy (GC-MS). Hierarchical-HZ-5 was found to be a potential catalyst for ethanolysis of FAL with 73\% EL yield and 26\% EMF yield at optimized process parameters.

}, issn = {2046-2069}, doi = {10.1039/c5ra13520f}, author = {Nandiwale, Kakasaheb Y. and Pande, Ashwini M. and Bokade, Vijay V.} } @article { ISI:000356021900003, title = {One-dimensional water cages with repeat units of (H2O)(24) resembling pagodane trapped in a 3D coordination polymer: proton conduction and tunable luminescence emission by adsorption of anionic dyes}, journal = {Crystengcomm}, volume = {17}, number = {24}, year = {2015}, month = {MAY}, pages = {4439-4443}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A 3D-coordination polymer was shown to trap one-dimensional polyhedral water cages consisting of repeat units of (H2O)(24), the geometry of which resembles the exotic organic molecule pagodane. Further, this material exhibited proton conduction ability and tunable luminescence emission by adsorption of anionic dyes such as the fluorescein dianion.

}, issn = {1466-8033}, doi = {10.1039/c5ce00969c}, author = {Maity, Kartik and Kundu, Tanay and Banerjee, Rahul and Biradha, Kumar} } @article { ISI:000350222400046, title = {One-pot highly enantio- and diastereoselective synthesis of anti,anti vinylic 3-amino-1,2 diols via proline catalyzed sequential alpha-amination/benzoyloxyallylation of aldehydes}, journal = {RSC Advances}, volume = {5}, number = {28}, year = {2015}, month = {FEB}, pages = {21803-21805}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The first direct asymmetric synthesis of anti, anti vinylic 3-amino-1,2-diols from aldehydes is described via a one-pot sequential L-proline catalyzed alpha-amination/benzoyloxyallylation protocol. The reaction proceeds with exceptionally high diastereoselectivity (\>99\%) as can be explained based on the Felkin-Ahn transition state model. Its effectiveness is proven unambiguously by demonstrating a short asymmetric synthesis of D-ribo-phytosphingosine tetraacetate (93\% ee).

}, issn = {2046-2069}, doi = {10.1039/c5ra02830b}, author = {Ahuja, Brij Bhushan and Sudalai, Arumugam} } @article { ISI:000347229500001, title = {One-pot quadruple/triple reaction sequence: a useful tool for the synthesis of natural products}, journal = {Organic \& Biomolecular Chemistry}, volume = {13}, number = {4}, year = {2015}, month = {OCT}, pages = {970-973}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Multiple reactions in one pot has always been a useful technique for synthetic organic chemists, as it can minimizes solvent usage, time and the number of purification steps when compared to individual multi-step syntheses. In line with this, here in this perspective we discuss a one-pot quadruple/triple reaction sequence comprising an enyne ring-closing metathesis/cross-metathesis/Diels-Alder/aromatization for the synthesis of natural products setting.

}, issn = {1477-0520}, doi = {10.1039/c4ob02143f}, author = {Kashinath, K. and Reddy, D. Srinivasa} } @article { ISI:000355702900086, title = {One-pot synthesis of 2-thenoyltrifluoroacetone surface functionalised SrF2:Eu3+ nanoparticles: trace level detection of water}, journal = {RSC Advances}, volume = {5}, number = {58}, year = {2015}, month = {MAY}, pages = {47131-47139}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

This work reports the one pot synthesis of 2-thenoyltrifluoroacetone (TTA) surface functionalised SrF2:Eu3+ nanoparticles. The nanoparticles were characterised by X-ray diffraction (XRD), infra-red (IR), UV-absorption, transmission electron microscopy (TEM), and photoluminescence studies. Sensitization of Eu3+ ion by TTA in SrF2 nanoparticle matrix gives an enhanced luminescence in dry aprotic solvents like tetrahydrofuran (THF), acetonitrile (AN), dichloromethane (DCM) etc. We studied the effect of trace quantity of water on luminescence of the particles in THF solvent. Even a trace level of water content in the solvent is able to quench the luminescence significantly and quenching enhances with addition of more and more water. This approach of luminescence quenching strategy of detecting a minute trace level of water molecules has a potential application in the estimation of water in various dry organic solvents like THF.

}, issn = {2046-2069}, doi = {10.1039/c5ra08566g}, author = {Ghosh, Debasish and Luwang, Meitram Niraj} } @proceedings {42926, title = {One-pot thermal evaporation synthesis of CdS-RGO hetrostructure and its field emission study}, year = {2015}, month = {JUL}, pages = {82-83}, publisher = {IEEE, 345 E 47th ST, New York, NY 10017 USA}, address = {Guangzhou, Peoples R China}, abstract = {

CdS-RGO heterostructure was synthesized by thermal evaporation method. The as-synthesized CdS-RGO heterostructure was characterized using X-ray Diffraction, SEM, and EADX, before field emission (FE) studies. The FE characteristics of a planar emitter made up of as-synthesized CdS-RGO heterostructures were measured at the base pressure 1x10(-8) mbar. The synthesized CdS-RGO heterostructure emitter is found to deliver a current density similar to 70 mu A/cm(2) at an applied electric field of similar to 4.7 V/mu m. Moreover, the nanocomposite shows excellent emission stability without significant current degradation making CdS-RGO heterostructure as a promising electron source for practical applications in various vacuum nano-microelectronic devices.

}, author = {Bansode, Sanjeewani R. and Khare, Ruchita T. and More, Mahendra A. and Late, Dattatray J.} } @article { ISI:000359279100022, title = {OpenFOAM computational fluid dynamic simulations of single-phase flows in an advanced-flow reactor}, journal = {Industrial \& Engineering Chemistry Research}, volume = {54}, number = {30}, year = {2015}, month = {AUG}, pages = {7543-7553}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Computational fluid dynamic (CFD) simulations are carried out for single-Phase flow in an, advanced-flow reactor (AFR) using the open source software OpenFOAM. Excellent agreement of Simulations with experimental pressure drop and residence time distribution (RTD) is obtained. Streamlines, stagnant zones, Velocity profiles, and pressure fields are,obtained at different flow rates ranging from 5 to 100 mL/min. A change in the flow behavior with the presence of recirculation zones is observed with a 40 mL/min flow rate. The extent of the recirculation zones increases with increasing flow rate from 40 to 60 mL/min and is limited further by the presence of a second cylindrical post inside the heart cell, remaining almost constant in the flow rate range of 60-100 mL/min. The RTD is also determined for all flow rates, and a. comparison between different reactor designs (two-post, single-post, and low-flow-reactor-like single-post) is presented. The APR Shows a plug-flow behavior with a small degree of dispersion, which broadens the RTD. Symmetric RTD curves are obtained for the single-post designs, whereas the Gen 1 APR design experiences asymmetry in the RTD at flow rates in the range between 20 and 60 mL/min.

}, issn = {0888-5885}, doi = {10.1021/acs.iecr.5b00232}, author = {Nieves-Remacha, Maria Jose and Kukarni, Amok A. and Jensen, Klavs F.} } @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:000359136500087, title = {Organocatalytic [4+1]-annulation approach for the synthesis of densely functionalized pyrazolidine carboxylates}, journal = {RSC Advances}, volume = {5}, number = {80}, year = {2015}, month = {JUL}, pages = {65554-65559}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A novel one-pot [4+1]-annulation process for the asymmetric synthesis of densely functionalized pyrazolidine carboxylates is described. The in situ generated gamma-hydrazino-alpha,beta-unsaturated ester obtained via proline catalysis acts as a four-atom component, and Corey{\textquoteright}s sulfur ylide or ethyl bromoacetate acts as a one-atom carbon source to construct pyrazolidine carboxylate units in a highly enantio- and diastereoselective fashion.

}, issn = {2046-2069}, doi = {10.1039/c5ra09583b}, author = {Lalwani, Komal G. and Aher, Ravindra D. and Sudalai, Arumugam} } @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:000358167700015, title = {Overexpression of squalene synthase in withania somnifera leads to enhanced withanolide biosynthesis}, journal = {Plant Cell Tissue and Organ Culture}, volume = {122}, number = {2}, year = {2015}, month = {AUG}, pages = {409-420}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

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

}, keywords = {Agrobacterium tumefaciens, Solanaceae, Squalene synthase, Withania somnifera, Withanolides}, issn = {0167-6857}, doi = {10.1007/s11240-015-0778-3}, author = {Patel, Neha and Patel, Parth and Kendurkar, Shuchishweta V. and Thulasiram, Hirekodathakallu V. and Khan, Bashir Mohammad} } @article { ISI:000356054600003, title = {Oxidant controlled regio- and stereodivergent azidohydroxylation of alkenes via I-2 catalysis}, journal = {Chemical Communications}, volume = {51}, number = {51}, year = {2015}, month = {APR}, pages = {10276-10279}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A novel, I-2 catalyzed regio-and stereodivergent vicinal azidohydroxylation of alkenes leading to 1,2-azidoalcohols in high yields (up to 92\%) and excellent dr (up to 98\%) has been developed. This unprecedented transformation employs NaN3 and DMF as N-and O-nucleophiles respectively. The role of DMF as the O-source in the reaction has been unequivocally proven by O-18 labelling studies.

}, issn = {1359-7345}, doi = {10.1039/c5cc02374b}, author = {Prasad, P. K. and Reddi, R. N. and Sudalai, A.} } @article { ISI:000349088000020, title = {Oxidation catalysis by large trisoctahedral gold nanoparticles: Mind the step!}, journal = {Catalysis Today}, volume = {244}, year = {2015}, month = {APR}, pages = {177-183}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

To understand the origin of catalysis by gold and to probe the role of defects and interfaces, benchmark reactions namely CO oxidation and benzyl alcohol oxidation were carried out on supported trisoctahedral gold nanoparticles and on the inverse catalyst system. The sizes of these particles which are between 45 nm and 110 nm, are well beyond the quantum size regime and well above the optimum size range where gold is considered to be catalytically active. The periodic steps sites in contact with oxide support interface were able to promote the reaction. (C) 2014 Elsevier B.V. All rights reserved.

}, keywords = {CO oxidation, Defects, Gold catalysis, Inverse catalysta, Steps and kinks}, issn = {0920-5861}, doi = {10.1016/j.cattod.2014.02.049}, author = {Sreedhala, S. and Sudheeshkumar, V. and Vinod, C. P.} } @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:000353745900013, title = {Oxone-acetone mediated syn-dioxygenation of benzo-fused olefins}, journal = {Tetrahedron Letters}, volume = {56}, number = {17}, year = {2015}, month = {APR}, pages = {2183-2186}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The oxone-acetone combination well established for olefin epoxidation has been demonstrated to be a practical reagent for the syn-dioxygenation (resulting in 1,3-dioxolanes) of indenes and dihydronaphthalenes. (C) 2015 Elsevier Ltd. All rights reserved.

}, keywords = {Dihydronaphthalene, Dioxygenation, Indene, Oxone}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2015.03.022}, author = {Phatake, Ravindra S. and Ramana, Chepuri V.} } @article { ISI:000356549600005, title = {Oxone-acetone mediated wacker-type oxidation of benzo-fused olefins}, journal = {Tetrahedron Letters}, volume = {56}, number = {25}, year = {2015}, month = {JUN}, pages = {3868-3871}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Herein we disclose a novel application of the oxone-acetone combination for the Wacker-type oxidation of indenes and dihydronaphthalenes leading, respectively, to indan-2-ones and 2-tetralones. The amount of the base employed in the reaction seems to switch the reaction path from dioxygenation to Wacker-type oxidation. Control experiments suggest that the reaction is not proceeding via the epoxide route and also that there is no role of trace amounts of metals present in the reagents on the current oxidation. (C) 2015 Elsevier Ltd. All rights reserved.

}, keywords = {Dihydronaphthalene, Indene, Oxone, Wacker oxidation}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2015.04.102}, author = {Phatake, Ravindra S. and Ramana, Chepuri V.} } @article { ISI:000375445700073, title = {Observation of enhanced field emission properties of Au/TiO2 nanocomposite}, journal = {Applied Physics A-Materials Science \& Processing}, volume = {122}, number = {5}, year = {2016}, month = {MAY}, pages = {560}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Simple and low-cost method of thermal annealing was used to decorate Gold (Au) nanoparticles on aligned TiO2 nanotubes. The aligned TiO2 nanotubes were decorated by Au nanoparticles with an average diameter of 9, 18 and 28 nm (aligned TiO2 nanotubes referred as specimen A and TiO2 nanotubes decorated by Au nanoparticles with average diameter of 9, 18 and 28 nm are referred as specimen B, C and D, respectively). The detailed characterization such as structural, morphological and elemental analysis of TiO2 and Au/TiO2 nanocomposite have been carried out using X-ray diffraction, field emission scanning electron microscope, transmission electron microscope, X-ray photoelectron spectroscopy and Raman spectroscopy. Furthermore, the meticulous comparative field emission characteristics of the aligned TiO2 nanotubes and Au/TiO2 nanocomposite have been performed. The turn-on field defined for the current density of 10 mu A/cm(2) has been found to be 3.9, 2.8, 3.2 and 3.7 V/mu m for specimen A, B, C and D, respectively. The observed low turn-on field of specimen B has been found to be superior than the other semiconducting nanocomposites reported in the literature. The emission current stability over a period of 3 h is found to be better for all the specimens. To the best of our knowledge, a systematic field emission study of Au/TiO2 nanocomposite has not been explored. The observed superior field emission study of Au/TiO2 nanocomposite indicates their possible use in micro/nanoelectronic devices.

}, issn = {0947-8396}, doi = {10.1007/s00339-016-0090-z}, author = {Patil, Girish P. and Bagal, Vivekanand S. and Suryawanshi, Sachin R. and Late, Dattatray J. and More, Mahendra A. and Chavan, Padmakar G.} } @article { ISI:000371479000046, title = {Observation of magnetic anomalies in one-step solvothermally synthesized nickel-cobalt ferrite nanoparticles}, journal = {Nanoscale}, volume = {8}, number = {9}, year = {2016}, month = {JAN}, pages = {5200-5213}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Magnetic anomalies corresponding to the Verwey transition and reorientation of anisotropic vacancies are observed at 151 K and 306 K, respectively, in NiCoFe2O4 nanoparticles (NPs) synthesized by a modified-solvothermal method followed by annealing. Cationic disorder and spherical shape induced non-stoichiometry suppress the Verwey transition in the as-synthesized NPs. On the other hand, reorientation of anisotropic vacancies is quite robust. XRD and electron microscopy investigations confirm a single phase spinel structure and the surface morphology of the as-synthesized NPs changes from spherical to octahedral upon annealing. Rietveld analysis reveals that the Ni2+ ions migrate from tetrahedral (A) to octahedral (B) sites upon annealing. The Mossbauer results show canted spins in both the NPs and the strength of superexchange is stronger in Co-O-Fe than Ni-O-Fe. Magnetic force images show that the as-synthesised NPs are single-domain whereas the annealed NPs are multi-domain octahedral particles. The FMR study reveals that both the NPs have a broad FMR line-width; and resonance properties are consistent with the random anisotropy model. The broad inhomogeneous FMR line-width, observation of the Verwey transition, tuning of the magnetic domain structure as well as the magnetic properties suggest that the NiCoFe2O4 ferrite NPs may be promising for future generation spintronics, magneto-electronics, and ultra-high-density recording media as well as for radar absorbing applications.

}, issn = {2040-3364}, doi = {10.1039/c5nr06791j}, author = {Datt, Gopal and Sen Bishwas, Mousumi and Raja, M. Manivel and Abhyankar, A. C.} } @article {43600, title = {Olfactory stimulation of apis cerana indica towards different doses of volatile constituents: SEM and EAG approaches}, journal = {Journal of Asia-Pacific Entomology}, volume = {19}, year = {2016}, month = {SEP}, pages = {847-859}, abstract = {Morphological and peripheral olfactory responses of antennal chemosensilla of Apis cerana indica, worker honeybee, to commonly occurring plant volatiles were recorded using SEM and EAG techniques, respectively. The antennae of A. cerana indica reveal the predominance of olfactory sensilla besides gustatory and mechanoreceptor cells. Ten different types of olfactory sensilla including sensilla basiconica, placodea type A and B, chaetica, coeloconica, coelocapitula, trichodea type A, B, C and D were reported. Of these, trichodea B and placodea A types were reported to be maximum. Responses to 47 commonly occurring plant volatiles (including 10 aromatic, 12 aliphatic, 04 green leaf volatile, 10 hydrocarbon monoterpene, 08 oxygenated monoterpenes and 03 sesquiterpenes compounds) were shown to elicit the response. Normalized EAG response, relative to the standard 1-hexanol, reveal significant differences between the chemicals and were concentration dependent. At 0.1 mg/mL dose, the largest amplitude was obtained with p-cymene (119.74 +/- 6.94) followed by cinnamaldehyde (97.07 +/- 4.94) and veratrol (92.99 +/- 7.82). Furthermore, at 1.0 mg/mL, maximum stimulation was reported with cinnamaldehyde (92.02 +/- 4.26) followed by phenethyl alcohol (86.02 +/- 2.63), benzyl alcohol (70.53 +/- 2.47), 2-heptanone (67.71 +/- 5.02) and 1-heptanol (67.56 +/- 2.8). Again, amplitude of the response was found to be maximum with cinnamaldehyde (115.59 +/- 6.73) followed by 1-heptanol (105.69 +/- 2.45) and citral (100.78 +/- 4.93) at 5.0 mg/mL, whereas, at 10.0 mg/mL, phenethyl alcohol (93.45 +/- 1.87) and 2-heptanone (93.14 +/- 1.85) showed highest stimulation followed by 2-pentanone (92.22 +/- 0.43). These documentations provide valuable information regarding how diversity in chemoreceptive antennal sensilla reveals better ability to sense a diversity of odors that are important cues to help honeybee distinguish among species of various flowering plants. (C) 2016 Korean Society of Applied Entomology, Taiwan Entomological Society and Malaysian Plant Protection Society. Published by Elsevier B.V. All rights reserved.}, doi = {10.1016/j.aspen.2016.07.014}, author = {Bhowmik, Biswanath and Lakare, Sachin and Sen, Ayalokiteswar and Bhadra, Kakali} } @article { ISI:000372856600027, title = {Omniphilic polymeric sponges by ice templating}, journal = {Chemistry of Materials}, volume = {28}, number = {6}, year = {2016}, month = {MAR}, pages = {1823-1831}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Sponges that absorb a large quantity of solvent relative to their weight, independent of the solvent polarity, represent useful universal absorbents for laboratory and industrial spills. We report the preparation of macroporous polymer sponges by ice templating of polyethylenimine aqueous solutions and their cross-linking in the frozen state. The as-prepared monolith is hydrophilic and absorbs over 30 fold its weight in water. Modification of this sponge using valeroyl chloride renders it omniphilic; viz., a modified sponge absorbs over 10-fold its dry weight of either water or hexane. Modification using palmitoyl chloride that has a longer chain length results in the preparation of a hydrophobic sponge with a water contact angle around 130, which retains its oleophilicity underwater. The solvent absorbed in these sponges can be simply squeezed out, and the sponges are stable to several hundred cycles of compression. The large pore sizes of these sponges allow rapid absorption of even high viscosity solvents such as pump oil. Finally, we demonstrate that these sponges are also able to separate apolar oils that are emulsified in water using surfactants. These high porosity sponges with controllable solvophilicity represent inexpensive, high performance universal absorbents for general solvent spills.

}, issn = {0897-4756}, doi = {10.1021/acs.chemmater.5b04988}, author = {Chatterjee, Soumyajyoti and Sen Gupta, Sayam and Kumaraswamy, Guruswamy} } @article { ISI:000370104700016, title = {Optimization by box-behnken experimental design fur synthesis of n-hexyl levulinate biolubricant over hierarchical H-ZSM-5: an effort towards agricultural waste minimization}, journal = {Process Safety and Environmental Protection}, volume = {99}, year = {2016}, month = {JAN}, pages = {159-166}, publisher = {INST CHEMICAL ENGINEERS}, type = {Article}, address = {165-189 RAILWAY TERRACE, DAVIS BLDG, RUGBY CV21 3HQ, ENGLAND}, abstract = {

The present study is devoted to develop efficient catalytic process for conversion of agricultural waste feedstock to value added chemicals. In this context, the n-hexyl levulinate, a renewable biolubricant was synthesized by esterification of biomass derived levulinic acid (LA) with n-hexanol in a closed batch system. Hierarchical-HZ-5 (modified H-ZSM-5) was used as a heterogeneous acid catalyst. There are no reports available on the synthesis of n-hexyl levulinate biolubricant using renewable levulinic acid. The process variables such as catalyst to LA ratio (X-1), n-hexanol to LA molar ratio (X-2), reaction time (X-3) and reaction temperature (X-4) were optimized by response surface methodology (RSM), using the Box-Behnken model. Analysis of variance was done to check the suitability and significance of the quadratic model. The yield of n-hexyl levulinate obtained was 97\% with 100\% selectivity at optimum process parameters. The RSM analysis predicted that catalyst to LA ratio is most significant (value of p \< 0.0001) and n-hexanol to LA molar ratio is least significant (value of p = 0.0064) process parameter in esterification. The quadratic model established was revealed to be suitable and statistically precise with correlation value (R-2) of 0.9837 to predict the yield of n-hexyl levulinate. (C) 2015 The Institution of Chemical Engineers. Published by Elsevier B.V. All rights reserved.

}, keywords = {Agricultural waste feedstock, Esterification, Hierarchical-HZ-5, n-Hexyl levulinate, Optimization, Response surface methodology}, issn = {0957-5820}, doi = {10.1016/j.psep.2015.11.003}, author = {Nandiwale, Kakasaheb Y. and Bokade, Vijay V.} } @article { ISI:000369771800068, title = {O-Quinone methides via oxone-mediated benzofuran oxidative dearomatization and their intramolecular cycloaddition with carbonyl groups: an expeditious construction of the central tetracyclic core of integrastatins, epicoccolide A, and epicocconigrone A}, journal = {Organic Letters}, volume = {18}, number = {3}, year = {2016}, month = {FEB}, pages = {612-615}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The intramolecular cycloaddition of o-quinone methides (o-QMs) with a carbonyl group has been envisaged and executed successfully in the context of constructing the complex and rare [6,6,6,6]-tetracyclic core found in the integrastatins, epicoccolide A, and epicocconigrone A. These transient o-QMs were generated easily from the oxidative dearomatization of the corresponding C2-(aryl)benzofuran by employing Oxone in acetone-water at rt. The subsequent cydoaddition with the carbonyl (or conjugated olefin) present on the C2-aryl group was spontaneous.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.5b03707}, author = {More, Atul A. and Ramana, Chepuri V.} } @article { ISI:000376695700026, title = {Organocatalytic route to enantioselective synthesis of ceramide trafficking inhibitor HPA-12}, journal = {Tetrahedron Letters}, volume = {57}, number = {22}, year = {2016}, month = {JUN}, pages = {2445-2447}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A new organocatalytic approach to the synthesis of ceramide trafficking inhibitor HPA-12 has been described starting from phenacyl bromide. The strategy involves chiral CBS reduction of gamma-ketoester and proline-catalyzed alpha-amination reaction of aldehyde followed by reduction as the key chirality inducing steps. (C) 2016 Elsevier Ltd. All rights reserved.

}, keywords = {alpha-Amination, CBS reduction, Ceramide, Organocatalytic, Proline}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2016.04.087}, author = {Lalwani, Komal G. and Sudalai, Arumugam} } @article {43057, title = {Organofunctionalization of vanadium(III) acetylacetonate complex over aminofunctionalized SBA-15 for sulfoxidation reactions}, journal = {Advanced Porous Materials}, volume = {4}, year = {2016}, month = {DEC}, pages = {212-218}, publisher = {American Scientific Publishers}, abstract = {

Recyclable SBA-15 supported aminopropyl vanadium(III) acetylacetonate heterogeneous catalyst has been synthesized by covalent anchoring of vanadium(III) acetylacetonate over aminofunctionalized SBA-15 via. post grafting method, V(III)(acac)3NH2@SBA-15. The synthesized catalyst was characterized by elemental analysis, ICP-OES, XRD, N2 sorption analysis, FT-IR, 29Si NMR spectroscopy, XPS, SEM and TEM. The percentage of nitrogen and vanadium in V(III)(acac)3NH2@SBA-15 was determined by elemental analysis and ICP-OES, respectively. XRD and N2 sorption analyses provide the information about the structural integrity (Mesoporous structure) and textural properties of all synthesized catalysts. The presence and degree of organofunctionalization on SBA-15 were monitored by FT-IR and 29Si NMR spectroscopy, respectively. Moreover, the oxidation state and the chemical environment of vanadium metal in V(III)(acac)3NH2@SBA-15 were revealed by XPS spectroscopy. Eventually, the morphology and topographic information of the synthesized catalysts were confirmed by SEM and TEM imaging. The synthesized catalyst was evaluated in oxidation of various sulfides and the results show that V(III)(acac)3NH2@SBA-15 catalyst exhibits higher conversion and selectivity towards the sulfoxidation reaction compared to the neat V(III)(acac)3 complex and blank reaction. The synthesized catalyst was recycled four times.

}, doi = {10.1166/apm.2016.1118}, author = {Lazar, Anish and Sanjush, K. S. and Singh, A. P.} } @article { ISI:000367335200014, title = {Orientation effect induced selective chelation of Fe2+ to a glutamic acid appended conjugated polymer for sensing and live cell imaging}, journal = {Journal of Materials Chemistry B}, volume = {4}, number = {2}, year = {2016}, month = {DEC}, pages = {299-308}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Intracellular detection and imaging of labile iron(II) pools is very important in tracking physiological processes that demand new and rapid sensing probes. In this report, we present a water soluble polymer based probe for the fluorescence sensing and live cell imaging of labile Fe2+ ions with high selectivity for the first time. The polymer probe was based on conjugated polyfluorene which was appended with amino acid (L-glutamic acid). The biocompatibility of the polymer was confirmed from an MTT assay which demonstrated \>90\% cell viability even at 300 mu g ml(-1) loading of polymers. Simple glutamic acid did not show selectivity towards any of the divalent ions. However, glutamic acid appended polyfluorene exhibited selective chelation to Fe2+ ions resulting in immediate sensing activity for Fe2+ ions in water and living cells with fluorescence turn-off response. The limit of detection of the PF-Ph-GA polymer probe was 46 (+/- 2) nM which indicated high sensitivity for Fe2+ over other ions reported in the literature. The polymer also exhibited improved sensing activity in the range of intracellular pH (5-9) which is advantageous in differentiating endogenous changes. The probe was successfully applied for the fluorescence imaging of intracellular and supplemented labile iron(II) pools in living HeLa cells.

}, issn = {2050-750X}, doi = {10.1039/c5tb02293b}, author = {Senthilkumar, T. and Parekh, Nimisha and Nikama, Shrikant B. and Asha, S. K.} } @article {45826, title = {Oxidation of linezolid by permanganate in acidic medium: Pd(II) catalysis, kinetics and pathways}, journal = {Progress in Reaction Kinetics and Mechanism}, volume = {41}, year = {2016}, month = {OCT}, pages = {245-257}, type = {Article}, abstract = {

The uncatalysed and Pd(II)-catalysed oxidation of linezolid (LNZ) by permanganate (PMGT) in acidic medium was carried out in the pH range from 3.0 to 6.0. The second order rate constants were found to decrease with increase in pH. The apparent second order rate constants for the uncatalysed reaction were, for example, k {\textquoteleft}{\textquoteright}(app)= 6.32 dm(3) mol(-1) at pH 3.0 and k {\textquoteleft}{\textquoteright}(app). = 2.64 dm(3) mol(-1) s(-1) at pH 6.0 and at 25 +/- 0.2 degrees C and for the Pd(II)-catalysed reaction the total apparent second order rate constants were k {\textquoteleft}{\textquoteright}(app) = 75.5 dm(3) mol(-1) s(-1) at pH 3.0 and k {\textquoteleft}{\textquoteright}(app). = 45.66 dm(3) mol(-1) s(-1) at pH 6.0 and at 25 +/- 0.2 degrees C. The rate constant of the Pd(II)-catalysed reaction was thus ten times higher than for the uncatalysed reaction. The oxidation products of the reaction were identified using high resolution LC-MS. The reaction progresses via formation of a Pd-LNZ complex, which reacts with acidic PMGT to form an intermediate compound, which then decomposes to give oxidised products. The dependence of the rate of reaction on various parameters, such as pH, temperature, [LNZ], [PMGT], [Pd(II)], dielectric constant and ionic strength were studied and activation parameters for the reaction were evaluated and discussed.

}, issn = {1468-6783}, doi = {10.3184/146867816X14696298762238}, author = {Kulkarni, Raviraj M. and Hanagadakar, Manjunath S. and Malladi, Ramesh S. and Santhakumari, B. and Nandibewoor, Sharanappa T.} } @article {42843, title = {Oxidative intramolecular 1,2-amino-oxygenation of alkynes under Au(I)/Au(III)-catalysis: discovery of pyridinium-oxazole dyad as novel lonic fluorophore}, journal = {Angewandte Chemie International Edition}, year = {2016}, month = {JAN}, doi = {10.1002/anie.201609335R1}, author = {Shaikh, Aslam C. and Ranade, Dnyanesh S. and Rajamohanan, Pattuparambil R. and Kulkarni, Prasad P. and Patil, Nitin T.} } @article {45829, title = {Oxidative transformation of antiretroviral drug zidovudine during water treatment with permanganate: reaction kinetics and pathways}, journal = {Desalination and Water Treatment}, volume = {57}, year = {2016}, month = {FEB}, pages = {24999-25010}, type = {Article}, abstract = {

The presence of the pharmaceutical substances in the water has been reported by many studies and has attracted attention across the world. The mechanistic insight into oxidation of antiretroviral drug zidovudine (ZDV) by potassium permanganate was investigated between the pH values 3.0 and 9.0. The pH-dependent second-order rate constants were determined and rate constants decreased with an increase in pH. The products of the reaction were identified by high-resolution mass spectrometry. A probable mechanism is proposed which involves the formation of an intermediate complex between permanganate and ZDV, which further undergoes degradation in subsequent fast steps to form various oxidized products. The different parameters like effect of initially added products, solvent polarity, ionic strength, temperature, and pH on the rate of the oxidative degradation of ZDV by permanganate were systematically studied. The various activation parameters were determined from the effect of variation in temperature on the oxidative degradation of ZDV by permanganate in acidic medium and discussed in detail.

}, keywords = {Degradation, kinetics, Mechanism, Permanganate, Zidovudine}, issn = {1944-3994}, doi = {10.1080/19443994.2016.1149110}, author = {Kulkarni, Raviraj M. and Bhamare, Vijaykumar S. and Santhakumari, B.} } @article {45693, title = {Odd-even alternation in tautomeric porous organic cages with eceptional chemical stability}, journal = {Angewandte Chemie-International Edition}, volume = {56}, year = {2017}, month = {FEB}, pages = { 2123-2126}, type = {Article}, abstract = {Amine-linked (C-NH) porous organic cages (POCs) are preferred over the imine-linked (C= N) POCs owing to their enhanced chemical stability. In general, aminelinked cages, obtained by the reduction of corresponding imines, are not shape-persistent in the crystalline form. Moreover, they require multistep synthesis. Herein, a one-pot synthesis of four new amine-linked organic cages by the reaction of 1,3,5-triformylphloroglucinol (Tp) with different analogues of alkanediamine is reported. The POCs resulting from the odd diamine (having an odd number of -CH2 groups) is conformationally eclipsed, while the POCs constructed from even diamines adopt a gauche conformation. This odd-even alternation in the conformation of POCs has been supported by computational calculations. The synthetic strategy hinges on the concept of Schiff base condensation reaction followed by keto-enol tautomerization. This mechanism is the key for the exceptional chemical stability of cages and facilitates their resistance towards acids and bases.}, doi = {10.1002/anie.201611260}, author = {Bera, S. and Basu, A. and Tothadi, S. and Garai, B. and Banerjee, S. and Vanka, K. and Banerjee, R.} } @conference {45797, title = {OFET based H2S gas sensing among reducing and mining gases using green synthesis SnO2}, booktitle = {2016 3rd International Conference on Emerging Electronics, ICEE 2016}, year = {2017}, month = {JAN}, publisher = {IEEE}, organization = {IEEE}, address = {Mumbai, India}, abstract = {In this paper we present detection of H2S gas using an organic field effect transistor (OFET) based sensor. A low-cost green synthesis process for SnO2 nanoparticles and bi-layer approach for device fabrication have been adopted to come up with the sensor. With the help of multiparameteric analysis, selectivity towards H2S gas was proved among other reducing and mining gases. }, doi = {10.1109/ICEmElec.2016.8074608}, author = {Surya, S. G. and Roy, S. and Ganne, B. S. P. and Pasam, D. and Sastry, A. B. and Bhagavatula L. V. Prasad} } @article {43522, title = {On-axis pulsed laser deposition of hybrid perovskite films for solar cell and broadband photo-sensor applications}, journal = {Journal of Applied Physics}, volume = {121}, year = {2017}, month = {APR}, pages = {Article Number: 133107}, abstract = {High quality hybrid perovskite films are grown by the pulsed laser deposition (PLD) process through target stoichiometry and gas ambient control in the commonly used on-axis geometry which is compatible with PLD of other materials such as metal oxides. The use of an off-stoichiometric target and a momentum softening gas mixture of argon and hydrogen (90\%:10\%) is shown to yield dense films in the on-axis geometry with excellent stoichiometry and optical quality. The band gap can be easily tuned from 1.6 to 2.3 eV with either mixed halide composite target or successive depositions of inter-diffusing MAPbBr(3) and MAPbI(3) layers. A photosensor based on PLD grown MAPbI(3) is shown to render impressive performance over the broad range of wavelengths from 375 to 800 nm at a voltage of 5V bias. A planar heterojunction solar cell based on the dry-processed on-axis PLD grown film exhibits a champion conversion efficiency of 10.9\%. A heterostructure comprising in situ pulsed laser deposited Cu2O (p-type) followed by the hybrid perovskite film shows a rectifying characteristic and photoresponse.}, doi = {10.1063/1.4979865}, author = {Bansode, Umesh and Ogale, Satishchandra B.} } @article {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 {43688, title = {Optical antenna effect on SiNWs/CuS photodiodes}, journal = {Physica Status Solidi A-Applications and Materials Science}, volume = {214}, year = {2017}, month = {MAY}, pages = {Article Number: 1600635}, type = {Article}, abstract = {One-dimensional architectures between silicon nanowires (SiNWs) and CuS were fabricated by radio-frequency (RF) magnetron sputtering and analyzed for solid-state photodetector application. Inspired by the subwavelength optical concentration by the surface plasmons on metal nanostructures at the nanoscale, we investigated the effect of gold nanorods (AuNRs) on the optical absorption and photodetection properties of the heterojunction photodiode. AuNRs acting as an optical trapping antenna enhances the light absorption, consequently boosting the photocurrent from the device. A maximum photoresponsivity of 0.36 mA W-1 was achieved under 665 nm excitation wavelength independent of the bias, a value similar to 13 times higher than for the heterojunction photodiode without AuNRs. Such plasmonic sensitization can be useful for improving the sensitivity of visible as well as IR photodetectors. (C) 2017 WILEY-VCH Verlag GmbH \& Co. KGaA, Weinheim}, doi = {10.1002/pssa.201600635}, author = {Yenchalwar, Sandeep G. and Rondiya, Sachin R. and Shinde, Pravin N. and Jadkar, Sandesh R. and Shelke, M. V.} } @article {43383, title = {Optimal combinations of control strategies and cost-effective analysis for visceral leishmaniasis disease transmission}, journal = {PLoS ONE}, volume = {12}, year = {2017}, month = {MAR}, abstract = {Visceral leishmaniasis (VL) is a deadly neglected tropical disease that poses a serious problem in various countries all over the world. Implementation of various intervention strategies fail in controlling the spread of this disease due to issues of parasite drug resistance and resistance of sandfly vectors to insecticide sprays. Due to this, policy makers need to develop novel strategies or resort to a combination of multiple intervention strategies to control the spread of the disease. To address this issue, we propose an extensive SIR-type model for anthroponotic visceral leishmaniasis transmission with seasonal fluctuations mod-eled in the form of periodic sandfly biting rate. Fitting the model for real data reported in South Sudan, we estimate the model parameters and compare the model predictions with known VL cases. Using optimal control theory, we study the effects of popular control strategies namely, drug-based treatment of symptomatic and PKDL-infected individuals, insecticide treated bednets and spray of insecticides on the dynamics of infected human and vector populations. We propose that the strategies remain ineffective in curbing the disease individually, as opposed to the use of optimal combinations of the mentioned strategies. Testing the model for different optimal combinations while considering periodic seasonal fluctuations, we find that the optimal combination of treatment of individuals and insecticide sprays perform well in controlling the disease for the time period of intervention introduced. Performing a cost-effective analysis we identify that the same strategy also proves to be effi-cacious and cost-effective. Finally, we suggest that our model would be helpful for policy makers to predict the best intervention strategies for specific time periods and their appropriate implementation for elimination of visceral leishmaniasis.}, doi = {10.1371/journal.pone.0172465}, author = {Biswas, Santanu and Subramanian, Abhishek and Elmojtaba, Ibrahim M. and Chattopadhyay, Joydev and Sarkar, Ram Rup} } @article {43938, title = {Optimization for the production of mycelial biomass from Benjaminiella poitrasii to isolate highly deacetylated chitosan}, journal = {Journal of Polymer Materials}, volume = {34}, year = {2017}, month = {MAR}, pages = {145-156}, type = {Article}, abstract = {

Benjaminiella poitrasii, a dimorphic zygomycetous fungus contains more chitosan in the mycelial cell wall than the cell wall of its yeast form. The optimized medium containing yeast extract, peptone, MgSO4, KH2PO4, trace metals (Fe2+, Mn2+ Zn2+ and Co2+ ) solution and 1\% starch produced 10-12 g/L(dry wt.) of mycelial biomass in 48 h in a 2L fermenter. Using 1N NaOH treatment from 1 g of dried biomass 51.00 {\textpm} 0.52 mg of chitosan of 42.82 KDa molecular weight and 94.24 \% degree of deacetylation was extracted. With Metarhizium anisopliae chitin deacetylase (CDA), chitosan yield was 59.00 {\textpm} 0.84 mg while treatment with CDA of B. poitrasii it was 78.05 {\textpm} 0.58 mg/g of dry wt. of biomass. The chitosan dissolved in 2\% acetic acid showed higher antifungal activity against Candida albicans (MIC90 0.025 mg/mL) and Candida glabrata (MIC90 0.2 mg/mL) than chitosan extracted from marine source (MIC90 \>1.6 mg/mL) suggesting use of fungal chitosan in healthcare.

}, author = {Mane, S. R. and Pathan, Ejaj K. and Kale, D. and Ghormade, Vandana and Gadre, Ramchandra V. and Rajamohanan, Pattuparambil Ramanpillai and Badiger, Manohar V. and Deshpande, Mukund V.} } @article {45749, title = {Optimizing culture conditions for establishment of hairy root culture of semecarpus anacardium L.}, journal = {3 Biotech}, volume = {7}, year = {2017}, month = {APR }, pages = {21}, type = {Article}, abstract = {

Semecarpus anacardium L. is a tree species which produces secondary metabolites of medicinal importance. Roots of the plant have been traditionally used in folk medicines. Different strains of Agrobacterium rhizogenes (A4, ATCC15834 and LBA 9402) were used for induction of hairy roots in in vitro grown tissues of the plant. Hairy root initiation was observed after 25-30 days of infection. Optimum transformation frequency of 61\% was achieved on leaf explants with ATCC15834 strain. Infection time of 30 min resulted in greater transformation frequency compared to 10 and 20 min, respectively. The hairy roots cultured in growth regulator-free semi-solid woody plant medium differentiated into callus. Whole shoots infected with ATCC 15834 were found to produce more transformants upon co-cultivation for 4 (65\%) and 5 (67\%) days. Induction of hairy roots in stem explants infected with ATCC 15834 was lower (52\%) compared to leaves (62\%) after 4 days of co-cultivation. In A4 and LBA9402 strains transformation efficiency was 49 +/- 2.8\% and 36 +/- 5.7\% in shoots after 4 days of co-cultivation. Transformation frequency was higher in ATCC15834 strain, irrespective of explants. The hairy roots of S. anacardium elongated slowly upon transfer to half-strength liquid medium. After 3-4 passages in liquid medium slender hairy roots started differentiating which were separated from the original explants. Visible growth of the roots was observed in hormone-free liquid medium after 2-3 months of culturing. Polymerase chain reaction with gene-specific primers from rol A, B and C genes confirms the positive transformation events.

}, keywords = {Hairy root culture, In vitro culture, rol genes, Semecarpus anacardium, Transformation}, issn = {2190-572X}, doi = {10.1007/s13205-017-0608-x}, author = {Panda, Bhuban Mohan and Mehta, Urmil J. and Hazra, Sulekha} } @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 {43798, title = {Organocatalytic enantioselective vinylogous michael-aidoi cascade for the synthesis of spirocyclic compounds}, journal = {Organic Letters}, volume = {19}, year = {2017}, month = {AUG}, pages = {4367-4370}, type = {Article}, abstract = {Enantioselective synthesis of pyrazolone-fused spirocyclohexenols by the secondary amine-catalyzed cascade reaction of alpha,beta-unsaturated aldehydes with alpha-arylidene pyrazolinones is reported. This formal [3 + 3] organocascade reaction proceeds through a vinylogous Michael-aldol sequence to furnish the spiroheterocycles with three stereocenters including an all-carbon quaternary center in good yields and selectivities. The catalytic generation of alpha,beta-unsaturated iminium ions from enals and tandem dienolate/enolate formation from pyrazolinones are the key for the success of this spiroannulation reaction.}, doi = {10.1021/acs.orglett.7b02085}, author = {Mondal, Santigopal and Mukherjee, Subrata and Yetra, Santhivardhana Reddy and Gonnade, Rajesh G. and Biju, Akkattu T.} } @article {44028, title = {Organocatalytic Enantioselective Vinylogous Michael-Aldol Cascade for the Synthesis of Spirocyclic Compounds}, journal = {Electrochimica Acta}, volume = {246}, year = {2017}, month = {AUG}, pages = { 1023-1028}, type = {Journal Article}, abstract = {Nanoscopic spheres of poly(3,4-ethylenedioxythiophene) from its poly(styrene sulfonate) stabilised dispersion was converted to nanofibers by acid treatment. The nanofibers showed a conductivity of 1800 S/cm. The specific capacitance of nanofiber based supercapcitors increased by 10 times compared to nanospeheres. The specific capacitance and power density were found to be 288 F/g and 9491 W/kg. }, doi = { 10.1016/j.electacta.2017.06.156}, author = {Jain, B.}, editor = {Krishnamoorthy, K.} } @article {43554, title = {Organocatalyzed efficient one-pot synthesis, biological evaluation, and molecular docking studies of 4,4-(Arylmethylene)bis-(3-methyl-1-phenyl-1H-pyrazol-5-ols)}, journal = {Journal of Heterocyclic Chemistry}, volume = {54}, year = {2017}, month = {MAR}, pages = {1109-1120}, abstract = {The synthesis of 4,4-(arylmethylene)bis-(3-methyl-1-phenyl-1H-pyrazol-5-ol) derivatives catalyzed by ?-proline is a simple, versatile, and efficient method. In vitro antioxidant, anti-inflammatory, and antimicrobial activities of compounds 4a, 4b, 4c, 4d, 4e, 4f, 4g, 4h, 4i, 4j were studied. Furthermore, to rationalize the observed anti-inflammatory activity data, molecular docking study has been performed against COX-2 enzyme which revealed a good binding affinity for these molecules and could provide an insight into the various bonded and non-bonded interactions guiding their binding affinity.}, doi = {10.1002/jhet.2681}, author = {Mahajan, Pravin S. and Nikam, Mukesh D. and Khedkar, Vijay and Jha, Prakash and Badadhe, Pravin V. and Gill, Charansingh H.} } @article {44150, title = {Organo-clay hybrid hydrophobic spherical styrene divinylbenzene crosslink beads for high-performance carbon dioxide capture}, journal = {New Journal of Chemistry}, volume = {41}, year = {2017}, month = {OCT}, pages = {12326-12335}, type = {Article}, abstract = {Herein, we report carbon dioxide sorption properties for a series of cloisite-containing crosslink hybrid materials. These materials were prepared by copolymerizing styrene divinylbenzene in the presence of various cloisites through suspension polymerization in one pot to obtain uniform spherical beads. The homopolymer formed during the polymerization was separated from the hybrid. The synthetic strategy is user-friendly and cost-effective, can be easily scaled up for production, and provides materials with good mechanical strength. The microporous polymeric spheres containing organo-clay (cloisite) showed a high surface area of similar to 80-370 m(2) g(-1) with a microsphere size of similar to 4.4 nm. These polymeric spherical beads were hydrophobic and thermally stable up to 300 degrees C. They showed high carbon dioxide uptake (up to similar to 20.7 wt\% at 273 K/1.0 bar) due to lone pair electrons of heteroatom, which might sharpen the interaction between the CO2 molecules and polymeric matrices through local dipole/quadruple interaction. Moreover, they showed good capacity to store CO2 due to the presence of quaternary ammonium groups in the clay and a large amount of narrow microspheres (B4.4 nm). The equilibrium CO2 capacities of the prepared spherical beads were due to the interaction between quaternary ammonium and the negatively charged oxygen atoms of CO2, and these spherical beads showed potential applications in gas adsorption and separation.}, doi = {10.1039/c7nj02141k}, author = {Nande, Smita S. and Garnaik, Baijayantimala} } @article {44155, title = {Organo-photoredox catalyzed oxidative dehydrogenation of N-heterocycles}, journal = {Chemistry-A European Journal}, volume = {23}, year = {2017}, month = {OCT}, pages = {14167-14172}, type = {Article}, abstract = {We report here for the first time the catalytic oxidative dehydrogenation of N-heterocycles by a visible-light organo-photoredox catalyst with low catalyst loading (0.1-1mol\%). The reaction proceeds efficiently under base- and additive-free conditions with ambient air at room temperature. The utility of this benign approach is demonstrated by the synthesis of various pharmaceutically relevant N-heteroarenes such as quinoline, quinoxaline, quinazoline, acridine, and indole.}, doi = {10.1002/chem.201703642}, author = {Sahoo, Manoj K. and Jaiswal, Garima and Rana, Jagannath and Balaraman, Ekambaram} } @article {44159, title = {Orthogonally functionalized donor/acceptor homo- and heterodimeric dyes for dye-sensitized solar cells: an approach to introduce panchromaticity and control the charge recombination}, journal = {ACS Applied Materials \& Interfaces}, volume = {9}, year = {2017}, month = {OCT}, pages = {34875-34890}, type = {Article}, abstract = {Organic dyes possessing conjugated pi-framework forms closely packed monolayers on photoanode in dye-sensitized solar cell (DSSC), because of the limitation to control the orientation and the extend of intermolecular pi-pi interaction, self-aggregation of dyes leads to reduced cell performance. In this report, a series of homodimeric (D-1-D-1, and D-2,-D-2) and heterodimeric (D-1-D-2 and D-2-D-4) donor/acceptor (D/A) dyes containing spiroBiProDOT pi-spacer were designed and synthesized by utilizing Pd-catalyzed direct arylation reaction and correlates the device performance with monomeric dyes (D-1 and D-2). Both the thiophenes (pi-spacer) of spiroBiProDOT were functionalized with same or different donor groups which led to homodimeric and heterodimeric chromophores in a single sensitizer. The homodimeric spirodye D-1-D-1 showed higher power conversion efficiency (PCE), of 7.6\% with a V-oc and J(sc) of 0.672 V and 16.16 mA/cm(2), respectively. On the other hand, the monomeric D-1 exhibited a PCE of 3.2\% (V-oc of 0.64 V and J(sc) of 7.2 mA/cm(2)); which is lower by 2.4 fold compared to dimeric analogue. The spiro-unit 20 provides flexibility between the incorporated chromophores to orient on TiO2 due to four sp(3)-centers, which arrest the molecular motions after chemisorption. This study shows a new molecular approach to incorporate two chromophores in the dimeric dye possessing complementary absorption characteristics toward panchromatic absorption. The attenuated charge recombination at TiO2/Dye/redox couple interface in case of D-1-D-1, owing to better passivation of TiO2 surface, was elucidated through impedance analysis. The FT-IR spectrum of D,-D, adsorbed on TiO2 film indicated both the carboxylic units were involved in chemisorption which makes strong coupling between dye and TiO2.}, doi = {10.1021/acsami.7b09010}, author = {Sil, Manik Chandra and Sudhakar, Vediappan and Kavungathodi, Munavvar Fairoos Mele and Punitharasu, Vellimalai and Nithyanandhan, Jayaraj} } @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 {44013, title = {Oviposition and feeding behaviour of Xanthopimpla pedator (Fabricius) (Hymenoptera: Ichneumonidae) on tropical tasar silkworm, Antheraea mylitta (Drury) (Lepidoptera: Saturniidae)}, journal = {Journal of Asia-Pacific Entomology}, volume = {20}, year = {2017}, month = {SEP}, pages = {977-983}, type = {Journal Article}, abstract = {Xanthopimpla pedator is a major pupal endoparasitoid of tropical tasar silkworm, Antheraea mylitta. Extensive parasitism by X. pedator results in pupal (seed) mortality and broken cocoons, which declines the wild tasar silk production. A detailed account is given on the oviposition behaviour of the female X. pedator and feeding behaviour of its immature forms in the pupa of A. mylitta. Scanning electron microscopic (SEM) details of the ovipositor of X. pedator revealed the presence of various mechano- and chemoreceptors, which regulate host discrimination and oviposition behaviour. The oviposition and feeding behaviour of X. pedator were evaluated in the field as well as in situ conditions. In addition, the invasion caused by X. pedator on A. mylitta, are also described. Host-parasitoid interactions are also discussed and recorded frame-by-frame video-graphically. The parasitoid X. pedator, arrests development and eventually the survival of A. mylitta. We also assume that parasitism by X. pedator in tasar culture is due to the microhabitat and food content of pupal host A. mylitta, which favors the development of parasitoid.}, doi = { 10.1016/j.aspen.2017.07.007}, author = {Gathalkar, G.B.}, editor = {Barsagade, D.D.} } @article {43492, title = {Oxidant mediated one-step complete conversion of multi-walled carbon nanotubes to graphene quantum dots and their bioactivity against mammalian and bacterial cells}, journal = {Journal of Materials Chemistry B}, volume = {5}, year = {2017}, month = {JAN}, pages = {785-796}, abstract = {It is essential for any antibacterial agent (for clinical applications) that it should have high and selective toxicity towards bacterial cells only, and should not affect the human cells at the concentration used. Graphene quantum dots (GQDs) have emerged as a potential candidate for biomedical applications. However, a simple, low cost, safe, easy to execute, one-step synthesis of uniform and monodispersed GQDs with selective toxicity towards bacterial cells rather than mammalian cells is difficult to achieve. Herein, we have reported a one-step, low-cost, aqueous-phase, simple approach for the complete conversion of multi-walled carbon nanotubes into water-dispersible GQDs with an average size of similar to 3 nm using sodium bismuthate (NaBiO3) as a strong oxidant. The cyclic voltammetry and X-ray photoelectron spectroscopy results indicated that the as-synthesized GQDs suspension possess almost negligible amounts of metallic impurities. The cytotoxicity studies of GQDs against mammalian NIH 3T3 (mouse embryo fibroblast cells) and HEK 293T (human embryonic kidney cells) cells showed that the as-synthesized GQDs were non-cytotoxic up to the concentration of similar to 200 mu g mL(-1). The antimicrobial study shows that the synthesized GQDs have high and selective toxicity towards bacterial cells with a minimum inhibitory concentration of similar to 256 mu g mL(-1) for E. coli and B. subtilis and similar to 512 mu g mL(-1) for P. aeruginosa and S. aureus. The scanning electron microscopy and atomic force microscopy images show extensive cell damage via the perturbation of bacterial cell walls, which was consistent with the enhancement of reactive oxygen species production by almost two times in the bacterial cells upon incubation with similar to 256 mu g mL(-1) GQDs. Our study suggested that the as-synthesized GQDs can be used as a potential candidate for clinical applications as they possess high toxicity to bacterial cells and low toxicity to mammalian cells.}, doi = {10.1039/c6tb02446g}, author = {Biswas, Anupam and Khandelwal, Puneet and Das, Raja and Salunke, Gayatri and Alam, Aftab and Ghorai, Suvankar and Chattopadhyay, Samit and Poddar, Pankaj} } @article {43360, title = {Oxidative intramolecular 1,2-amino-oxygenation of alkynes under Au I /Au III catalysis: discovery of a pyridinium-oxazole dyad as an ionic fluorophore}, journal = {Angewandte Chemie-International Edition}, volume = {56}, year = {2017}, month = {JAN}, pages = {757 - 761}, doi = {10.1002/ange.201609335}, author = {Shaikh, Aslam C. and Ranade, Dnyanesh Sadanand and Rajamohanan, Pattuparambil R. and Kulkarni, Prasad Padmakar and Patil, Nitin T.} } @article {43482, title = {Oxidative intramolecular 1,2-amino-oxygenation of alkynes under Au-I/Au-III catalysis: discovery of a pyridinium-oxazole dyad as an ionic fluorophore}, journal = {Angewandte Chemie-International Edition}, volume = {56}, year = {2017}, month = {JAN}, pages = {757-761}, abstract = {Oxidative intramolecular 1,2-amino-oxygenation reactions, combining gold(I)/gold(III) catalysis, is reported. The reaction provides efficient access to a structurally unique ionic pyridinium-oxazole dyad with tunable emission wavelengths. The application of these fluorophores as potential biomarkers has been investigated.}, doi = {10.1002/anie.201609335}, author = {Shaikh, Aslam C. and Ranade, Dnyanesh S. and Rajamohanan, Pattuparambil R. and Kulkarni, Prasad P. and Patil, Nitin T.} } @article {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 {45361, title = { One pot ligand exchange method for a highly stable Au-SBA-15 catalyst and its room temperature CO oxidation}, journal = {Chemical Communications}, volume = {54}, year = {2018}, month = {NOV}, pages = {12412-12415}, type = {Article}, abstract = {A modified deposition precipitation (DP) method has been developed to address a fundamental issue of supporting well dispersed Au nanoparticles on silica. Ammonium chloride (NH4Cl) plays an important role in in situ modifying the gold precursor (HAuCl(4)3H(2)O) solution allowing facile deposition of gold NPs in the channels of SBA-15. The Au-SBA-15 catalyst (2.8 wt\%) synthesized by this procedure showed 100\% conversion for CO oxidation at room temperature with excellent stability at room temperature and high temperature.}, issn = {1359-7345}, doi = {10.1039/c8cc06887a}, author = {Soni, Yogita and Kavya, I. and Ajithkumar, T. G. and Vinod, C. P.} } @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 {44541, title = {One-pot cascade synthesis of 2-cyanoacrylamides via Sn-catalyzed acetic acid free selective monohydration of dinitrile}, journal = {ChemistrySelect}, volume = {3}, year = {2018}, month = {MAR}, pages = {3534-3538}, abstract = {

The simple, mild, novel and an efficient new protocol has been developed for the straightforward synthesis of 2-cyanoacrylamides. This is the first report in which Sn-catalyzed acetic acid free selective monohydration of dinitrile was achieved for a one pot cascade synthesis of 2-cyanoacrylamides in good to excellent yield via condensation of various aldehydes, heterocyclic aldehydes with malononitrile.

}, keywords = {2-cyanoacrylamides, Aldehyde, one pot, SnCl2 center dot 2H(2)O}, issn = {2365-6549}, doi = {10.1002/slct.201703171}, author = {Shaikh, Taufeekaslam M. Y. and Mulla, Shafeek A. R.} } @article {45531, title = {One-pot sequential bromination and fluorination to access 3-fluoroimidazo[1,2-a]pyridines from arylketones}, journal = {European Journal Of Organic Chemistry}, volume = {2018}, year = {2018}, month = {JUL}, pages = {3432-3436}, type = {Article}, abstract = {3-Fluoro-2-arylimidazo[1,2-a]pyridines were selectively synthesised in one-pot from acetophenones and 2-aminopyridines under mild conditions. The sequence of reactions involved bromination, condensation, and late-stage fluorination. Two halogenating reagents play key roles in the process. We found that tetrabutylammonium tribromide and SelectfluorTM gave excellent yields of the desired products in the one-pot sequential reaction. {\textcopyright} 2018 WILEY-VCH Verlag GmbH \& Co. KGaA, Weinheim}, isbn = {1434193X}, doi = {10.1002/ejoc.201800578}, author = {Udavant, R. N. and Yadav, A. R. and Shinde, S. S.} } @article {44540, title = {One-dimensional porphyrin-fullerene (C60) assemblies: role of central metal ion in enhancing ambipolar mobility}, journal = {Chemistry - A European Journal }, volume = {24}, year = {2018}, month = {MAR}, abstract = {One-dimensional (1D) nanostructures of -conjugated molecules exhibiting excellent charge carrier mobilities have found much interest in organic electronic devices. Even though it is tedious to form such structures, the availability of highly delocalized electron and hole carriers in these donor (D)-acceptor (A) co-assemblies realize ambipolar charge transport. Here we report the successful demonstration of a simple solution casting method to create ambipolar donor-acceptor single crystalline assembly. 1D assemblies of 5,10,15,20-tetraphenylporphyrins (H2TPP, ZnTPP) and fullerene (C60) exhibit high ambipolar mobility in the range of 0.8-3.4 cm2/Vs for electrons and holes with high ON/OFF ratio and low threshold voltage. A direct experimental proof for the pivotal role of central Zn2+ in tetraphenyl porphyrin, which enables a strong D-A charge transfer interaction in the cocrystal and thereby induces electron (1.35 cm2/Vs), hole (3.42 cm2/Vs) mobilities, the highest reported for two component D-A assemblies using solution casting, is demonstrated.}, doi = {10.1002/chem.201800197}, author = {Goudappagouda and Gedda, Murali and Kulkarni, Giridhar U. and Sukumaran, Santhosh Babu} } @article {45559, title = {Optimization of pressure-Swing distillation by evolutionary techniques: separation of ethanol-water and acetonitrile-water mixtures}, journal = {Chemical Product and Process Modeling}, volume = {13}, year = {2018}, month = {JUN}, type = {Article}, abstract = {Complete separation can be achieved in selective homogeneous azeotropic mixtures by exploiting the pressure sensitive nature of the system. In the present work the optimal number of trays, feed location and reflux ratio for sequential column systems encountered in continuous pressure swing distillation (PSD) have been determined by use of two evolutionary techniques. Two industrially relevant systems: ethanol-water and acetonitrile-water have been considered. The Napthali-Sandholm model is solved to obtain the concentration and temperature profiles. The objective is to minimize the total cost using Genetic Algorithm (GA) and Differential Evolution (DE) for the two azeotropic systems. The techniques offer attractive features like applicability to discontinuous and non-differentiable search spaces.}, issn = {21946159}, doi = {10.1515/cppm-2017-0007}, author = {Adjay Sagar, A. and Rahman, I.} } @article {44228, title = {Optimization of the in situ transesterification step for biodiesel production using biomass of Yarrowia lipolytica NCIM 3589 grown on waste cooking oil}, journal = {Energy}, volume = {142}, year = {2018}, month = {JAN }, pages = {944-952}, type = {Article}, abstract = {

The in situ (one-step) acid-catalyzed transesterification step for conversion to biodiesel of biomass from oleaginous yeast Yarrowia lipolytica grown on waste cooking oil (WCO) is studied. The process yield of biodiesel was optimized by investigating effects of various parameters, namely, biomass, methanol, chloroform, catalyst, temperature, time and sonication. A Plackett-Burman statistical design of experiments revealed that biomass is the most significant factor influencing biodiesel (FAME, fatty acid methyl ester) production. Subsequently, a one variable design (OVD) of experiments for increased biomass loadings showed higher yields of FAME with no additional requirement of reactants, solvents or special equipment. The biomass grown on WCO had a lipid productivity of 0.042 g L-1 h(-1) and 4 g of this loading gave a high FAME yield of 0.88 gin 8 hat 50 degrees C with methanol: chloroform (10:1) and acid catalyst (0.2 M H2SO4,1.0 ml g(-1)). The FAME profile had desirable amounts of saturated (32.81\%), monounsaturated (36.41\%), polyunsaturated (30.59\%) methyl esters. The predicted and experimentally determined physico-chemical properties of FAME were found in accordance with specified international standards. Thus, the direct one-pot in situ transesterification reaction using Y. lipolytica biomass grown on WCO provides a high yield of biodiesel with potential applicability while simultaneously addressing the management of this pollutant. (C) 2017 Elsevier Ltd. All rights reserved.

}, keywords = {Biodiesel, FAME, In situ transesterification, One -step, Waste cooking oil, Yarrowia lipolytica}, issn = {0360-5442}, doi = {10.1016/j.energy.2017.10.082}, author = {Katre, Gouri and Raskar, Shubham and Zinjarde, Smita and Kumar, V. Ravi and Kulkarni, B. D. and RaviKumar, Ameeta} } @conference {47492, title = {Opto-electronic analysis of Cs2PdCl2Br4 Perovskites compounds for photovoltaic applications}, booktitle = {2018 International Conference and Utility Exhibition on Green Energy for Sustainable Development (ICUE)}, year = {2018}, month = {OCT}, publisher = {IEEE}, organization = {IEEE}, address = {Phuket, Thailand}, abstract = {In this paper, electronic and optical properties of Cs2PdCl2Br4 perovskite compound are presented using full potential linearized augmented plane wave (FP-LAPW) method. All computations are performed using most accurate modified Becke Johnson (mBJ) potential within density functional theory. Energy band computations are performed over here to elaborate relationship between energy and wave vector (k). Pattern of occurrence observed for energy bands are analyzed in terms of plotted total and partial density of states. For investigating optical behavior of Cs2PdCl2Br4, we have computed dielectric tensor, absorption spectra, reflectivity and refraction spectra using mBJ potential. Different peaks recorded in the imaginary components of dielectric tensor are interpreted in terms of interband transitions for better understanding. Significant absorption intensity available in desired energy range and suitable band gap indicates effective utilization of this compound in photovoltaic applications.}, doi = {10.23919/ICUE-GESD.2018.8635653}, author = {Soni, Amit and Sahariya, Jagrati and Bhamu, K. C. and Ahuja, Ushma} } @conference {45506, title = {Opto-electronic analysis of promising photovoltaic Cs2PdCl4Br2: An upcoming perovskite material}, booktitle = {WIECON-ECE 2017 - IEEE International WIE Conference on Electrical and Computer Engineering 2017}, year = {2018}, month = {SEP}, abstract = {

he metal halide perovskites are attracting much attention due to their potential applications in optoelectronic devices. Herein, we review and calculate a new avenue for Cs 2 PdCl 4 Br 2 perovskites by computing its electronic and optical properties to show its candidature in optoelectronics. For the computation of electronic and optical properties, we have used modified Becke Johnson approximation available in Wien2k code, based on full potential linearised augmented plane wave method. Investigated electronic and optical properties show that Cs 2 PdCl 4 Br 2 has the indirect band gap of 1.70 eV. The significant intense peaks in absorption spectra between energy range 2-3 eV reveals the utility of this compound in solar cells and other optoelectronic devices.

}, doi = { 10.1109/WIECON-ECE.2017.8468904}, author = {Sahariya, J. and Soni, A. and Bhamu, K. C.} } @article {45353, title = { Organic phase transmetallation approach for synthesis of hollow Ni-Au nanocomposites with tunable cavity size}, journal = {New Journal Of Chemistry}, volume = {42}, year = {2018}, month = {DEC}, pages = { 19615-19624}, type = {Article }, abstract = {

Ni-Au nanocomposites in the form of hollow spheres with controlled cavity size have been successfully synthesized by the transmetallation reaction between hydrophobized Ni nanoparticles and hydrophobized Au precursors. This can be considered as a fairly unique synthesis strategy that does not require any additional external reductants. The synthesis is carried out in a nonpolar solvent and precise tuning of the cavity size has been achieved only by varying the ratio of the two reacting components. A detailed characterization has been performed via UV-vis spectroscopy, XPS, TEM, EDAX, and SEM. The mechanistic aspect is established from FTIR. SQUID-VSM confirmed the magnificent superparamagnetism of the nanocomposites.

}, issn = {1144-0546}, doi = {10.1039/c8nj03668c}, author = {Sardar, Debasmita and Ahmed, Md Azaharuddin and Bandyopadhyay, Sudipta and Ghosalya, Manoj Kumar and Bala, Tanushree} } @article {44612, title = {Organocatalyst bound -aminoalkyl radical intermediate for controlled aerobic oxidation of iminium ions}, journal = {Organic \& Biomolecular Chemistry}, volume = {16}, year = {2018}, month = {JUL}, pages = {5081-5085}, abstract = {

A catalyst bound -aminoalkyl radical intermediate from iminium is developed to control its formation and reactivity with aerobic oxygen. The influence of the catalyst was demonstrated via the ease of radical intermediate formation and its subsequent reactivity, including the first catalyst-controlled enantioselective aerobic oxidation with a chiral phosphite catalyst.

}, issn = {1477-0520}, doi = {10.1039/c8ob01032c}, author = {Motaleb, Abdul and Bera, Asish and Maity, Pradip} } @article {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 {44543, title = {Overexpression of mango alcohol dehydrogenase (MiADH1) mimics hypoxia in transgenic tomato and alters fruit flavor components}, journal = {Agri Gene}, volume = {7}, year = {2018}, month = {MAR}, pages = {23-33}, abstract = {Plant alcohols and aldehydes are produced by the action of alcohol dehydrogenases (ADH) and play an important role during fruit ripening and aroma production. Alcohols are not only produced in different tissues at different stages of plant development but are also products of the fermentative pathway which gets activated by different stresses, including hypoxia. The ADH gene is a well-established marker for hypoxic response as well as plant aroma. In a previous report we have identified and characterized three ADHs (MiADH1, 2, 3) from Dashehari mango. MiADH1 was found to be fruit specific and was upregulated by ethylene and ABA, suggesting a role in fruit aroma volatile production. In order to functionally characterize MiADH1, transgenic tomato plants were developed under the control of the constitutive (CaMV35S) promoter. Transgenic tomato fruit expressing MiADH1 gene showed a change in the levels of several alcohols and aldehydes related to flavor in comparison to the control. The change in aroma and volatiles compounds was more prominent during the ripe stage as compared to unripe and mid-ripe stages of tomato fruit. The transgenic tomato plants also produced adventitious roots. Our results suggest that the overexpression of MiADH1 in tomato plants induced the fermentative pathway in roots, and mimicked hypoxic response by development of adventitious roots from the stem as an adaptive mechanism.}, doi = {10.1016/j.aggene.2017.10.003}, author = {Singh, Rajesh Kumar and Srivastava, Smriti and Chidley, Hemangi and Nath, Pravendra and Sane, Vidhu A.} } @article {44544, title = {Overexpression of tryptophan decarboxylase and strictosidine synthase enhanced terpenoid indole alkaloid pathway activity and antineoplastic vinblastine biosynthesis in Catharanthus roseus}, journal = {Protoplasma}, volume = {255}, year = {2018}, month = {SEP}, pages = {1281-1294}, type = {Article}, abstract = {

Terpenoid indole alkaloid (TIA) biosynthetic pathway of Catharanthus roseus possesses the major attention in current metabolic engineering efforts being the sole source of highly expensive antineoplastic molecules vinblastine and vincristine. The entire TIA pathway is fairly known at biochemical and genetic levels except the pathway steps leading to biosynthesis of catharanthine and tabersonine. To increase the in-planta yield of these antineoplastic metabolites for the pharmaceutical and drug industry, extensive plant tissue culture-based studies were performed to provide alternative production systems. However, the strict spatiotemporal developmental regulation of TIA biosynthesis has restricted the utility of these cultures for large-scale production. Therefore, the present study was performed to enhance the metabolic flux of TIA pathway towards the biosynthesis of vinblastine by overexpressing two upstream TIA pathway genes, tryptophan decarboxylase (CrTDC) and strictosidine synthase (CrSTR), at whole plant levels in C. roseus. Whole plant transgenic of C. roseus was developed using Agrobacterium tumefaciens LBA1119 strain having CrTDC and CrSTR gene cassette. Developed transgenic lines demonstrated up to twofold enhanced total alkaloid production with maximum ninefold increase in vindoline and catharanthine, and fivefold increased vinblastine production. These lines recorded a maximum of 38-fold and 65-fold enhanced transcript levels of CrTDC and CrSTR genes, respectively.

}, doi = {10.1007/s00709-018-1233-1}, author = {Sharma, Abhishek and Verma, Priyanka and Mathur, Archana and Mathur, Ajay} } @article {45424, title = { Oxidant-free oxidative gold catalysis: the new paradigm in cross-coupling reactions}, journal = {Chemical Communications}, volume = {54}, year = {2018}, month = {OCT}, pages = {11069-11083}, type = {Article}, abstract = {

The construction of C-C and C-X (X = hetero atom) bonds is the core aspect for the assembly of molecules. In this regard, late transition-metal-catalyzed cross-coupling reactions have retained their dominance for decades. Lately, gold catalysts have been emerging as a reliable contender for such transformations owing to the recent findings that reveal gold{\textquoteright}s potential beyond carbophilic -Lewis acid. The newfound ability of gold to undergo redox transformations under certain circumstances has allowed us to explore gold catalysts as a viable alternative to other late transition-metals for efficient construction of cross-coupled products. This feature article critically presents an overview of all the redox neutral cross-coupling reactions enabled by gold catalysis, which we believe would stimulate further research activities in this promising area.

}, isbn = {1359-7345}, doi = {10.1039/c8cc05601c}, author = {Akram, Manjur O. and Banerjee, Somsuvra and Saswade, Sagar S. and Bedi, Vaibhav and Patil, Nitin T.} } @article {45384, title = { Oxidative NHC catalysis for the generation of imidoyl azoliums: synthesis of benzoxazoles }, journal = {Journal of Organic Chemistry }, volume = {83}, year = {2018}, month = { DEC}, pages = {14820-14826}, type = {Article}, abstract = {

N-Fleterocyclic carbene (NHC)-catalyzed intramolecular cyclization of aldimines generated from 2-amino phenols and aromatic aldehydes leading to the synthesis of 2-arylbenzoxazoles under mild conditions is presented. The reaction proceeds via the generation of the aza-Breslow intermediates from imines and NHC, which under oxidative conditions form the key imidoyl azoliums and a subsequent intramolecular cyclization furnishes the product. The reaction tolerates a broad range of functional groups, and the products are formed in generally good yields.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.8b02598}, author = {Patra, Atanu and James, Anjima and Das, Tamal Kanti and Biju, Akkattu T.} } @article {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 {45589, title = {One-pot three-component synthesis and photophysical properties of highly fluorescent novel 4-alkyl-3-aryl-2,6-dicyanoanilines by using tris(hydroxymethyl)aminomethane as a catalyst}, journal = {Chemical Data Collections}, volume = {19}, year = {2019}, month = {FEB}, pages = {Article No: 100172}, type = {Article}, abstract = {Novel 4-alkyl-3-aryl-2,6-dicyanoanilines were synthesized by a multi-component one-step reaction of aromatic aldehyde, malononitrile and aliphatic aldehyde using tris(hydroxymethyl)aminomethane (THAM) as a catalyst under microwave (MW) irradiation or conventional heating. The optimized reaction condition involved use of 2.5 equivalents of THAM under MW irradiation at 140 W using 20\% MW power for 5 min or conventional heating at 80 {\textdegree}C for 8 h in dimethylformamide. The photophysical properties including λmax, quantum yield and Stokes{\textquoteright} shifts of newly synthesized molecules were studied. All compounds exhibited quantum yield in the range of 0.04{\textendash}0.52 with respect to standard quinine sulphate having quantum yield 0.54. The Stokes{\textquoteright} shifts of all compounds were found in the range of 41{\textendash}105 nm. The current strategy provides operationally simple protocol using THAM as a catalyst to synthesize 4-alkyl-3-aryl-2,6-dicyanoanilines with diverse structural features to make them available for exploration of their photophysical as well as biological applications.}, doi = {10.1016/j.cdc.2018.100172}, author = {Kudale, A. S. and Kamble, S. B. and Gore, A. H. and Pisal, M. M. and Salokhe, A. T. and Kolekar, G. B. and Helavi, V. B.} } @article {45527, title = {Operando X-ray absorption spectroscopy study of the Fischer-Tropsch reaction with a Co catalyst}, journal = {Journal of Synchrotron Radiation}, volume = {26}, year = {2019}, month = {JAN}, pages = {137-144}, type = {Article}, abstract = {

This article describes the setting up of a facility on the energy-scanning EXAFS beamline (BL-09) at RRCAT, Indore, India, for operando studies of structure-activity correlation during a catalytic reaction. The setup was tested by operando X-ray absorption spectroscopy (XAS) studies performed on a Co-based catalyst during the Fischer-Tropsch reaction to obtain information regarding structural changes in the catalyst during the reaction. Simultaneous gas chromatography (GC) measurements during the reaction facilitate monitoring of the product gases, which in turn gives information regarding the activity of the catalyst. The combination of XAS and GC techniques was used to correlate the structural changes with the activity of the catalyst at different reaction temperatures. The oxide catalyst was reduced to the metallic phase by heating at 400 degrees C for 5h under H-2 at ambient pressure and subsequently the catalytic reaction was studied at four different temperatures of 240, 260, 280 and 320 degrees C. The catalyst was studied for 10h at 320 degrees C and an attempt has been made to understand the process of its deactivation from the XANES and EXAFS results.

}, keywords = {catalysis, EXAFS, Fischer-Tropsch reaction, in situ studies, structure-activity correlation, XANES}, issn = {1600-5775}, doi = {10.1107/S1600577518015588}, author = {Nayak, Chandrani and Jain, Preeti and Vinod, C. P. and Jha, S. N. and Bhattacharyya, D.} } @article {46317, title = {Ortho-oxygenative 1,2-difunctionalization of diarylalkynes under merged gold/organophotoredox relay catalysis}, journal = {Chemistry-An Asian Journal}, year = {2019}, month = {OCT}, type = {Article; Early Access}, abstract = {

Reported herein is an ortho-oxygenative 1,2-difunctionalization of diarylalkynes under merged gold/organophotoredox catalysis to access highly functionalized 2-(2-hydroxyaryl)-2-alkoxy-1-arylethan-1-ones. Detailed mechanistic studies suggested a relay process, initiating with gold-catalyzed hydroalkoxylation of alkynes, to generate enol-ether followed by a key formal [4+2]-cycloaddition reaction. The successful application of the present methodology was also shown for the synthesis of benzofurans.

}, keywords = {binary catalyst system, Gold catalysis, organocatalyst, photoredox, synthetic methodology}, issn = {1861-4728}, doi = {10.1002/asia.201901275}, author = {Sancheti, Shashank P. and Akram, Manjur O. and Roy, Rupam and Bedi, Vaibhav and Kundu, Shubhankar and Patil, Nitin T.} } @article {46237, title = {Oxidative disproportionation of MoS2/GO to MoS2/MoO3-x/RGO : integrated and plasmonic 2D-multifunctional nanocomposites for solar hydrogen generation from near-infrared and visible regions}, journal = {Journal of Physical Chemistry C}, volume = {123}, year = {2019}, month = {SEP}, pages = { 21685-21693}, type = {Article}, abstract = {

Two dimensional (2D) semiconductor materials have been recently demonstrated to be effective plasmonic materials and alternatives to costly noble metals. However, tuning the plasmon resonance of 2D semiconductors and integrating with another material or semiconductor for various applications, such as solar light harvesting, remains a challenge. Herein, we designed a simple and attractive method, which facilitates the diffusion of oxygen from the graphene oxide (GO) layers of the MoS2/GO (MG) composite to oxidize the MoS2 layers significantly due to thermal treatment under inert atmosphere. This is the key step in the formation of MoS2/MoO3-x/RGO (MMR) (x = 0, 0.5, and 1, and all stoichiometries co-exist), due to disproportionation of MoS2/GO, with bulk heterojunctions among the components. The observed behavior is attributed to the oxidation of Mo4+ cations (of MoS2) to higher oxidation states in MMR (Mo(5+ )and Mo6+ of MoO3-x), which also alters the valence-band electronic structure and work function of the resulting composite. The 2D MoO3-x layers with a large amount of Mo5+ oxidation states enables facile charge carrier generation due to plasmonic effect, whereas MoS2 provides active sites for catalysis. The solar H-2 generation was demonstrated in the visible and near-infrared region by combining both the plasmonic and catalytic effects in one composite. These results demonstrate the important role of RGO to provide energy-level alignment, charge carrier diffusion, and help to generate plasmonic effect in the composite.

}, author = {Patra, Kshirodra Kumar and Ghosalya, Manoj Kumar and Bajpai, Himanshu and Raj, Sreeya and Gopinath, Chinnakonda S.} } @article {46277, title = {Oxidative Olefination of Benzylamine with an Active Methylene Compound Mediated by Hypervalent Iodine (III)}, journal = {European Journal of Organic Chemistry}, year = {2019}, month = {SEP}, type = {Article}, abstract = {

Hypervalent iodine-mediated oxidative olefination of amines with an active methylene compound provides a rapid gateway towards the formation of electrophilic alkenes under mild reaction conditions in good to excellent yields. This is an efficient protocol for the preparation of substituted electrophilic alkenes.

}, doi = {10.1002/ejoc.201900970}, author = {Rupanawar, Bapurao D. and Veetil, Sruthi M. and Suryavanshi, Gurunath} } @article {46349, title = {Oxone promoted dehydrogenative Povarov cyclization of N-aryl glycine derivatives: an approach towards quinoline fused lactones and lactams}, journal = {RSC Advances}, volume = {9}, year = {2019}, month = {SEP }, pages = {30277-30291}, type = {Article}, abstract = {

Oxone promoted intramolecular dehydrogenative imino Diels-Alder reaction (Povarov cyclization) of alkyne tethered N-aryl glycine esters and amides has been explored, thus affording biologically significant quinoline fused lactones and lactams. The reaction is simple, scalable, and high yielding (up to 88\%). The method was further extended to prepare biologically important luotonin-A analogues and the quinoline core of uncialamycin.

}, doi = {10.1039/c9ra06212b}, author = {More, Devidas A. and Shinde, Ganesh H. and Shaikh, Aslam C. and Muthukrishnan, M.} } @article {47136, title = {Ofloxacin-loaded PLLA nanofibrous mats for wound dressing applications}, journal = {ACS Applied Bio Materials}, volume = {3}, year = {2020}, month = {AUG}, pages = {6648{\textendash}6660}, type = {Article }, abstract = {

Poly(l-lactide) (PLLA) was synthesized from l-lactide in the presence of a zinc salen complex. Ofloxacin (OFLX)-loaded PLLA nanofibrous mats were fabricated by electrospinning using dichloromethane/dimethyl sulfoxide (4:1 v/v) solutions containing different amounts of OFLX (1, 3, 5, and 10 w/w\%). The morphology and diameter of nanofibrous mats were studied by scanning electron microscopy (SEM). The internal morphology of the nanofibers was examined by transmission electron microscopy (TEM). Miscibility between OFLX and PLLA in nanofibrous mats was confirmed by attenuated total reflection{\textendash}Fourier transform infrared (ATR{\textendash}FTIR) spectroscopy. Differential scanning calorimetry (DSC) confirmed the interaction of OFLX with PLLA nanofibrous mats. The presence of OFLX in PLLA nanofibrous mats increased the tensile strength significantly, which was confirmed by dynamic mechanical analysis (DMA). The in vitro drug release profile was studied at pH values 4.6, 5.8, and 7.4. OFLX-loaded PLLA nanofibrous mats showed burst release till first 12 h, and sustained release followed up to 168 h. The in vitro biocompatibility test of nanofibrous mats was carried out using the 3-(4,5-dimethylthiazol-2yl)-2,5-diphenyl tetrazolium bromide (MTT) assay against the NIH/3T3 fibroblast cell line. The results of MTT assay demonstrated cell viability and cell proliferation at a concentration as low as 10 w/w\%, which proved their nontoxicity and biocompatibility. OFLX-loaded PLLA nanofibrous mats exhibited good antibacterial activity against Staphylococcus aureus and Escherichia coli. The in vivo wound healing study on rats showed 44, 65, and 88\% wound closure rates on 14th day with control, PLLA, and OFLX-loaded PLLA nanofibrous mats, respectively. The results proved that the PLLA nanofibrous mats loaded with an appropriate concentration of OFLX are promising candidates for wound dressing applications.

}, keywords = {nanofibers nontoxic biocompatible, PLLA ofloxacin, wound dressing}, doi = {10.1021/acsabm.0c00290}, author = {Rade, Priyanka P. and Garnaik, Baijayantimala} } @article {46738, title = {One pot hydrogenation of furfural to 2-methyl tetrahydrofuran over supported mono- and Bi-metallic catalysts}, journal = {ChemistrySelect}, volume = {5}, year = {2020}, month = {AUG }, pages = {9590-9600}, type = {Article}, abstract = {

2-Methyltetrahydrofuran is a valuable commercial product that can be obtained by direct hydrogenation of furfural. In the present study, among several carbon supported bimetallic Ir-Ni catalysts with different loadings screened, 4\% Ir-4\% Ni/C catalyst showed excellent activity in terms of direct conversion (99\%) to 2-MeTHF with a maximum selectivity of similar to 74\% at 220 degrees C and 750 psig, suppressing the formation of side chain as well as ring opening products. The catalytic activity was found to be mainly affected by catalyst preparation methods, metal loadings, surface composition, temperature, pressure and catalyst loading. HR-TEM and STEM revealed well dispersed Ir-Ni NPs having the particle sizes in the range of 2 to 5 nm. Different phases of Ir i. e. Ir degrees and IrO(2)as well as oxygen vacancies were found to be responsible for hydrogenation of furfural to 2-methyl furan while, Ni degrees and NiO were responsible for further hydrogenation to 2-MeTHF. The synergic effect between Ir and Ni was established through XPS, H-2-TPR analysis. With the help of some control experiments, the plausible reaction pathway was also proposed. The catalyst prepared by co-impregnation method found more effective than prepared by sequential addition method. At lower Ni loadings of 1\% and 2\%, low temperature of 160 degrees C as well as at low H(2)pressure of 250 psig, mixture of furfuryl alcohol and 2-methyl furan were formed selectively. Catalyst could be successfully reused up to 3 times without leaching of metals.

}, keywords = {2-Methyltetrahydrofuran, Bimetallic catalyst, furfural, Hydrogenation, OER type mechanism}, issn = {2365-6549}, doi = {10.1002/slct.202002322}, author = {Date, Nandan S. and Hengne, Amol M. and Huang, K. -W. and Chikate, Rajeev C. and Rode, Chandrashekhar V.} } @article {46973, title = {One-pot synthesis of bimodal (macro-meso, micro-mesoporous) silica by polyHIPE: parameter studies}, journal = {Journal of Porous Materials}, volume = {27}, year = {2020}, month = {FEB}, pages = {263-275}, type = {Article}, abstract = {

Porous silica with hierarchical organization of pore structure is desired for a variety of applications such as, chromatography, sensing, control release, scaffold for biomedical applications and catalysis. Highly porous polymers obtained from high internal phase emulsion (HIPE) templating route have attracted increasing attention of researchers due to their hierarchical porous and interconnected structure with high porosity and low density. The novel method adopted in our approach combines redox initiated polymerization using HIPE polymerization and an in-situ sol-gel processing technique followed by calcination to obtain highly porous materials. The obtained materials have reminiscent of polyHIPE morphology containing pores and interconnected pore throats in micrometer size range with mesopores on the wall of macropores. The effect of concentration of TEOS, volume of dispersed phase, crosslinker concentration, shear rate and surfactant concentration as well as variation in calcination temperatures on the properties of silica materials were examined.

}, keywords = {Mesoporous material, PolyHIPE, Polymer-silica hybrid, Porous silica}, issn = {1380-2224}, doi = {10.1007/s10934-019-00807-w}, author = {Wale, Apparav and Nalawade, Archana and Ponrathnam, Surendra and Rajan, C. R. and Badiger, Manohar} } @article {46958, title = {Organocatalytic cascade knoevenagel-michael addition reactions: direct synthesis of polysubstituted 2-amino-4H-chromene derivatives}, journal = {Catalysis Letters}, volume = {150}, year = {2020}, month = {AUG}, pages = {2331-2351}, type = {Article}, abstract = {

In this report, we documented novel strategy for the synthesis of bioactive polysubstituted 2-amino-4H-chromine derivatives under a heterogeneous Al-MCM-41-LDH@APTES (ALAM) catalysis. A synthetic procedure is developed to prepare Al-MCM-41-LDH@APTES (ALAM) heterogeneous basic catalysts. Mesoporous Al-MCM-41 is functionalized by known grafting chemistry via layered double hydroxide (LDH) nanosheets and (3-aminopropyl)triethoxysilane (APTES) moiety as a basic organocatalyst. The resulting catalysts contain amino group functionality on the external surface as well as inside the layers and the basicity can be tuned by the loading of APTES. The samples were fully characterized by Si-29 and C-13 CP/MAS NMR, infrared absorption spectroscopy, TEM, XPS, EDX, TGA, XRD, CO2-TPD, N-2 adsorption isotherms measurements, and they were successfully examined for the cascade type Knoevenagel-Michael addition reactions. The product yields associated with these substrates were optimized, and key reaction parameters affecting the yields were identified. The present catalytic method is simple and robust for diversity oriented synthesis which proceeds good to excellent yields without generating any hazards waste. The broad substrate scope, excellent functional group compatibility makes this protocol highly useful towards synthesis of polysubstituted alpha-cyanoacrylates, alpha-cyanoacrylonitriles and 2-amino-4H-chromenes with an electron-donating or electron-withdrawing group. We have also successfully established a flow reaction system, gram-scale synthesis as well as catalyst recyclability up to six catalytic cycles without appreciable loss of its activity. Graphic

}, keywords = {2-Amino-4H-chromines, Amine functionalized solid catalysts, cascade synthesis, Diversity oriented syntheses (DOS), flow chemistry}, issn = {1011-372X}, doi = {10.1007/s10562-019-03089-8, Early Access Date = FEB 2020}, author = {Jadhav, Sanjay N. and Patil, Seema P. and Sahoo, Dipti Prava and Rath, Dharitri and Parida, Kulamani and Rode, Chandrashekhar V.} } @inbook {47308, title = {Organocatalyzed α-aminooxylation/amination of aldehydes and their sequential reactions: a versatile tool for the synthesis of bioactive molecules}, booktitle = {Bioactive Natural Products}, volume = {64}, year = {2020}, pages = {417-465}, publisher = {Elsevier B.V.}, organization = {Elsevier B.V.}, abstract = {

This chapter introduces the sequential reactions of proline catalyzed α-aminooxylation and α-amination of aldehydes and its broad applications in the synthesis of bioactive molecules. It starts by presenting an overview of organocatalysis, particularly proline and its catalytic behavior. It then explains the proline catalyzed α-aminooxylation reaction and its sequential reactions one by one along with its applications in the synthesis of natural products. Next, it describes the\ l- and\ d-proline catalyzed α-amination and its sequential reactions. A full description of the synthetic scheme of natural products is provided.

}, doi = {10.1016/B978-0-12-817903-1.00014-0}, author = {Ahuja, Brij Bhushan and Sudalai, Arumugum} } @article {47010, title = {Ovalbumin-mediated synthesis and simultaneous functionalization of graphene with increased protein stability}, journal = {Green Chemistry Letters and Reviews}, volume = {13}, year = {2020}, month = {JAN }, pages = {60-67}, type = {Article}, abstract = {

In this article, we have shown an easy, one-step, protein-directed approach for the synthesis of water-soluble and functional graphene using ovalbumin. The obtained ovalbumin functionalized graphene was characterized by UV-visible spectroscopy, X-ray diffraction, Raman spectroscopy, and Fourier transform infrared spectroscopy. Atomic force microscopy was used to check the attachment/functionalization of ovalbumin on grapheme sheets. It was shown that the functionalization of ovalbumin on grapheme sheets makes the protein more thermally stable compare to free ovalbumin, which has been shown by using sodium dodecyl sulfate polyacrylamide gel electrophoresis.

}, keywords = {Atomic force microscopy, graphene, graphene oxide, Ovalbumin, SDS-PAGE, thermal degradation}, issn = {1751-8253}, doi = {10.1080/17518253.2020.1725150}, author = {Ullah, Riaz and Khan, Shadab Ali and Aladresi, Aref Ali Mohammed and Alharbi, Sulaiman Ali and Chinnathambi, Arunachalam} } @article {46888, title = {Overturning the peribysin family natural products isolated from periconia byssoides OUPS-N133: synthesis and stereochemical revision of peribysins A, B, C, F, and G}, journal = {Organic Letters}, volume = {22}, year = {2020}, month = {APR}, pages = {3104-3109}, type = {Article}, abstract = {

Herein we report the stereochemical revision of peribysins A, B, C, F, and G, guided by enantiospecific total synthesis starting from (+)-nootkatone. Furthermore, we reconfirmed the absolute stereochemistry of peribysin Q The highlights of the synthesis are enone transposition and kinetic iodination resulting in separation of diastereomers. Our findings coupled with synthetic and biological data previously reported by Danishefsky{\textquoteright}s group suggest that the original stereochemistries of peribysins A, B, C, F, and G were misassigned.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.0c00857}, author = {Athawale, Paresh R. and Kalmode, Hanuman P. and Motiwala, Zenia and Kulkarni, Kiran A. and Reddy, D. Srinivasa} } @article {46686, title = {Oxidative rearrangement of stilbenes to 2,2-diaryl-2-hydroxyacetaldehydes}, journal = {ACS Omega}, volume = {5}, year = {2020}, month = {OCT }, pages = {25199-25208}, type = {Article}, abstract = {

A one-pot oxone-mediated/iodine-catalyzed oxidative rearrangement of stilbenes leading to 2,2-diary1-2-hydroxyacetaldehydes is described. Control experiments revealed that a 2,2-diarylacetaldehyde was initially formed that undergoes subsequent alpha-hydroxylation. The resulting alpha-hydroxyaldehydes have been subjected to a one-pot Still Gennari olefination followed by cyclization, leading to S,S-diaryl-y-butenolides.

}, issn = {2470-1343}, doi = {10.1021/acsomega.0c03328}, author = {Kalshetti, Rupali G. and Ramana, V. Chepuri} } @article {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 {47116, title = {One-pot cascade conversion of renewable furfural to levulinic acid over a bifunctional H3PW12O40SiO2 catalyst in the absence of external H-2}, journal = {Energy \& Fuels}, volume = {35}, year = {2021}, month = {JAN }, pages = {539-545}, type = {Article}, abstract = {

The conversion of biomass-derived furfural (FUR) to levulinic acid (LA), a versatile platform chemical, involves catalytic hydrogenation of FUR followed by acid hydrolysis to LA. However, this two-step process demands expensive separation and purification of the furfuryl alcohol (FAL) intermediate. Herein, we demonstrate an ingenious catalytic strategy for the one-pot cascade conversion of FUR to LA over a bifunctional catalyst without using pure external H-2. Isopropyl alcohol (IPA) served a dual role as a hydrogen donor and solvent while inhibiting the side reactions. Catalysts with a tunable surface area and acidity were synthesized by impregnating different percentages of H3PW12O40 (heteropolyacid) over a SiO2 support. The bifunctionality of the H3PW12O40/SiO2 catalyst is ascribed to the mutual coexistence of Lewis and Brvinsted acid sites. The Lewis acid sites imparted by active W metal sites adsorb hydrogen proton for catalytic transfer hydrogenation of FUR to FAL, while the predominant Brvinsted acid sites catalyze the hydrolysis of FAL to LA. Consequently, H3PW12O40/SiO2 revealed to be a potential catalyst producing an similar to 51\% LA yield under optimized reaction conditions. Moreover, the catalyst was found to be reusable for three catalytic cycles. This study paves the way to develop future biorefinery, particularly direct conversion of FUR to LA over a bifunctional catalyst with a liquid H-donor, in an environmentally benign manner and comply with the green chemistry principles.

}, issn = {0887-0624}, doi = {10.1021/acs.energyfuels.0c03326}, author = {Nandiwale, Kakasaheb Y. and Vishwakarma, Mona and Rathod, Simmy and Simakova, Irina and Bokade, Vijay V.} } @article {47680, title = {One-pot oxidation of secondary alcohols to alpha-hydroxy ketones: application to synthesis of oxoaplysinopsin D, E, F, \& G}, journal = {European Journal of Organic Chemistry}, volume = {2021}, year = {2021}, month = {APR }, pages = {2188-2192}, type = {Article}, abstract = {A simple one-pot transformation of secondary alcohols to alpha-hydroxy ketones using pyridinium dichromate (PDC) in DMF has been developed and substrate scope tested with 25 compounds of hydantoin derivatives. Using this method, we have devised a common dihydroxy intermediate and synthesized four natural products oxoaplysinopsins D, E, F, and G for the first time.}, keywords = {alpha-Hydroxylation, Hydantoin, Natural product, Oxoaplysinopsin, Retro-aldol}, issn = {1434-193X}, doi = {10.1002/ejoc.202100184}, author = {Kulkarni, Akshay S. and Ramesh, Eagala and Reddy, D. Srinivasa} } @inbook {47815, title = {Online tools and antiviral databases for the development of drugs against coronaviruses}, booktitle = {In Silico Modeling of Drugs Against Coronaviruses: Computational Tools and Protocols}, year = {2021}, pages = {717{\textendash}734}, publisher = {Springer US}, organization = {Springer US}, address = {New York, NY}, abstract = {The current crisis of coronavirus pandemic has created an urgent need for readily available scientific information to the researchers, students, professionals, and journalists. The scientific information for the research is costly, and most of the universities and research institutes cannot afford to subscribe to all the coronavirus-related journals/articles during this crisis time. In order to expedite the process of vaccine development and discovery of anti-COVID drugs, most of the pharmaceutical companies, research institutes and publishers are playing a key role and working on war footing to get either a vaccine or an anti-COVID drug as early as possible. The collective efforts are required from everyone in this testing time of the corona crisis. To provide our contribution to the scientific community, we have made here an attempt to give an overview of some of the tools and resources freely available that probably provide some insights in data mining and screening of novel lead molecules toward coronavirus. We have collected and compiled the information of open access online tools and antiviral databases essential for the discovery and development of corona vaccine and anti-COVID drugs. The open access tools include Open Educational Resources (OERs), Google cloud, online prediction server, web-based viewer, etc., while the antiviral databases include libraries of synthetic and untested compounds, antiviral drug databases, antiviral peptides, etc. The information presented in this chapter will help the researchers to use them directly in their projects of coronavirus drug discovery.}, isbn = {978-1-0716-1366-5}, doi = {10.1007/7653_2020_48}, url = {https://doi.org/10.1007/7653_2020_48}, author = {Aher, Rahul Balasaheb and Sarkar, Dhiman}, editor = {Roy, Kunal} } @article {47068, title = {Operando generated ordered heterogeneous catalyst for the selective conversion of CO2 to methanol}, journal = {ACS Energy Letters}, volume = {6}, year = {2021}, month = {FEB }, pages = {509-516}, type = {Article}, abstract = {

The discovery of new materials for efficient transformation of carbon dioxide (CO2) into desired fuel can revolutionize large-scale renewable energy storage and mitigate environmental damage due to carbon emissions. In this work, we discovered an operando generated stable Ni-In kinetic phase that selectively converts CO2 to methanol (CTM) at low pressure compared to the state-of-the-art materials. The catalytic nature of a well-known methanation catalyst, nickel, has been tuned with the introduction of inactive indium, which enhances the CTM process. The remarkable change in the mechanistic pathways toward methanol production has been mapped by operando diffuse reflectance infrared Fourier transform spectroscopy analysis, corroborated by first-principles calculations. The ordered arrangement and pronounced electronegativity difference between metals are attributed to the complete shift in mechanism. The approach and findings of this work provide a unique advance toward the next-generation catalyst discovery for going beyond the state-of-the-art in CO2 reduction technologies.

}, issn = {2380-8195}, doi = {10.1021/acsenergylett.0c02614}, author = {Cherevotan, Arjun and Raj, Jithu and Dheer, Lakshay and Roy, Soumyabrata and Sarkar, Shreya and Das, Risov and Vinod, Chathakudath P. and Xu, Shaojun and Wells, Peter and Waghmare, V, Umesh and Peter, Sebastian C.} } @article {47573, title = {Oral insulin delivery using artificial peptide}, journal = {Indian Journal of Biochemistry \& Biophysics}, volume = {58}, year = {2021}, month = {OCT}, pages = {408-415}, type = {Article}, abstract = {The daily multiple insulin injection is the line of treatment for diabetes mellitus. As the oral insulin delivery mimics, the physiology of endogenous insulin secreted by pancreas. Recently, the search for suitable carrier to develop oral insulin delivery has been intensified. However, the carrier toxicity and very less bioavailability of insulin remains the major problem in the development of oral insulin delivery. Preparation of a non-covalent insulin-peptide complex using different peptide made of 16 to 20 L-amino acids studied to overcome the problem. The in vitro testing of insulin-peptide complex showed significant stability against the proteolytic enzyme. Whereas, in in vivo testing, the presence of 10-41\% insulin in blood plasma observed after 30 to 60 min oral feeding of insulin-peptide complex. Results indicated that the peptide which showed moderate protection against pepsin and minor protection against trypsin and chymotrypsin has an important role in enhancing oral insulin bioavailability. However, the peptide which showed higher protection against trypsin and no protection against pepsin could not achieve significant oral insulin bioavailability.}, keywords = {Bioavailability, Carrier toxicity, Insulin-peptide complex, Oral insulin delivery, Proteolytic enzyme resistance}, issn = {0301-1208}, author = {Adikane, V. Harshavardhan} } @article {47409, title = {Orc4 spatiotemporally stabilizes centromeric chromatin}, journal = {Genome Research}, volume = {31}, year = {2021}, month = {APR}, pages = {607-621}, type = {Article}, abstract = {

The establishment of centromeric chromatin and its propagation by the centromere-specific histone CENPA is mediated by epigenetic mechanisms in most eukaryotes. DNA replication origins, origin binding proteins, and replication timing of centromere DNA are important determinants of centromere function. The epigenetically regulated regional centromeres in the budding yeast Candida albicans have unique DNA sequences that replicate earliest in every chromosome and are clustered throughout the cell cycle. In this study, the genome-wide occupancy of the replication initiation protein Orc4 reveals its abundance at all centromeres in C. albicans. Orc4 is associated with four different DNA sequence motifs, one of which coincides with tRNA genes (tDNA) that replicate early and cluster together in space. Hi-C combined with genome-wide replication timing analyses identify that early replicating Orc4-bound regions interact with themselves stronger than with late replicating Orc4-bound regions. We simulate a polymer model of chromosomes of C. albicans and propose that the early replicating and highly enriched Orc4-bound sites preferentially localize around the clustered kinetochores. We also observe that Orc4 is constitutively localized to centromeres, and both Orc4 and the helicase Mcm2 are essential for cell viability and CENPA stability in C. albicans. Finally, we show that new molecules of CENPA are recruited to centromeres during late anaphase/telophase, which coincides with the stage at which the CENPA-specific chaperone Scm3 localizes to the kinetochore. We propose that the spatiotemporal localization of Orc4 within the nucleus, in collaboration with Mcm2 and Scm3, maintains centromeric chromatin stability and CENPA recruitment in C. albicans.

}, issn = {1088-9051}, doi = {10.1101/gr.265900.120}, author = {Sreekumar, Lakshmi and Kumari, Kiran and Guin, Krishnendu and Bakshi, Asif and Varshney, Neha and Thimmappa, Bhagya C. and Narlikar, Leelavati and Padinhateeri, Ranjith and Siddharthan, Rahul and Sanyal, Kaustuv} } @article {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 {47749, title = {On the origin of controlled anisotropic growth of monodisperse gold nanobipyramids}, journal = {Nanoscale}, volume = {13}, year = {2021}, month = {SEP}, pages = {15292-15300}, type = {Article}, abstract = {We elucidate the crucial role of the cetyl trimethylammonium bromide (CTAB) surfactant in the anisotropic growth mechanism of gold nano-bipyramids, nano-objects with remarkable optical properties and high tunability. Atomistic molecular dynamics simulations predict different surface coverages of the CTAB (positively charged) heads and their (bromide) counterions as function of the gold exposed surfaces. High concentration of CTAB surfactant promotes formation of gold nanograins in solution that work as precursors for the smooth anisotropic growth of more elongated nano-bipyramidal objects. Nanobipyramids feature higher index facets with respect to nanorods, allowing higher CTAB coverages that stabilize their formation and leading to narrower inter-micelles channels that smooth down their anisotropic growth. Absorption spectroscopy and scanning electron microscopy confirmed the formation of nanograins and demonstrated the importance of surfactant concentration on driving the growth towards nano-bipyramids rather than nanorods. The outcome explains the formation of the monodisperse bipyramidal nano-objects, the origin of their controlled shapes and sizes along with their remarkable stability.}, issn = {2040-3364}, doi = {10.1039/d1nr01768c}, author = {Meena, Santosh Kumar and Lerouge, Frederic and Baldeck, Patrice and Andraud, Chantal and Garavelli, Marco and Parola, Stephane and Sulpizi, Marialore and Rivalta, Ivan} } @article {47080, title = {Oxidative radical-mediated addition of ethers to quinone imine ketals: an access to hemiaminals}, journal = {Journal of Organic Chemistry}, volume = {86}, year = {2021}, month = {FEB }, pages = {2107-2116}, type = {Article}, abstract = {

The highly regioselective synthesis of substituted hemiaminal via addition of ethers to quinone imine ketals (QIKs) has been developed under metal-free conditions. In the presence of tetrabutylammonium chloride and potassium persulfate (K2S2O8), QIKs couple efficiently with cyclic and acyclic ethers to give hemiaminals. This strategy offers an easy access to substituted hemiaminal ethers with high functional group tolerance in good to excellent yields.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.0c02254}, author = {More, Satish G. and Kamble, Rohit B. and Suryavanshi, Gurunath} } @article {47461, title = {Oxidative stress induced by piperine leads to apoptosis in Candida albicans}, journal = {Medical Mycology}, volume = {59}, year = {2021}, month = {APR}, pages = {366-378}, type = {Article}, abstract = {

Candida albicans is a member of pathogens with potential drug resistance threat that needs novel chemotherapeutic strategies. Considering the multifarious biological activities including bioenhancer activity, anti-Candida potential of piperine was evaluated against planktonic/biofilm and hyphal growth of C. albicans alone or in combination as a synergistic agent with fluconazole. Piperine inhibits planktonic growth at or less than 15 mu g/ml, hyphae induction at 5 mu g/ml concentration, and exhibits stage-dependent activity against biofilm growth of a fluconazole-resistant strain of C. albicans (ATCC10231). Though piperine couldn{\textquoteright}t kill inoculum completely at minimum inhibitory concentration (MIC), it is fungicidal at higher concentrations, as shown in apoptosis assay. FIC index values indicate that piperine exhibits excellent synergistic activity with fluconazole against planktonic (0.123) and biofilm (0.215) growth of an FLC resistant strain. Mode of anti-Candida activity was studied by identifying piperine responsive proteins wherein the abundance of 25 proteins involved in stress response, signal transduction and cell cycle were modulated (22 up and 3 downregulated) significantly in response to piperine (MIC50). Modulation of the proteins involved suggests that piperine affectsmembrane integrity leading to oxidative stress followed by cell cycle arrest and apoptosis in C. albicans. Flow cytometry-basedmitochondrialmembrane potential (MMP), cell cycle and apoptosis assay, as well as real-time quantitative polymerase chain reaction analysis of selected genes, confirms piperine induced oxidative stress (TRR1), cell cycle arrest and apoptosis (CaMCA1). Based on our results, we conclude that piperine inhibits planktonic and difficult-to treat-biofilm growth of C. albicans by affecting membrane integrity thereby inducing oxidative stress and apoptosis. Lay Abstract Piperine inhibit Candida albicans growth (planktonic and biofilm) significantly in our study. Piperine exhibits excellent synergistic potential with fluconazole The proteome analysis suggests that piperine induced membrane damage leads to oxidative stress followed by cell cycle arrest and apoptosis.

}, keywords = {Apoptosis, C. albicans, drug resistance, piperine, proteomics, synergy}, issn = {1369-3786}, doi = {10.1093/mmy/myaa058}, author = {Thakre, Archana and Jadhav, Vyankatesh and Kazi, Rubina and Shelar, Amruta and Patil, Rajendra and Kharat, Kiran and Zore, Gajanan and Karuppayil, S. Mohan} } @article {46700, title = {Oxime ligands for Pd catalysis of the mizoroki-heck reaction, suzuki-miyaura coupling \& annulation reactions}, journal = {Synthetic Communications}, volume = {51}, year = {2021}, month = {JAN }, pages = {308-316}, type = {Article}, abstract = {

Monodentate and bidentate chelating oximes are readily available ligands for the Pd catalysis of the Mizoroki-Heck reaction and the Suzuki coupling. High yields were obtained in the Suzuki coupling in aqueous dioxane with TBABr as additive. The oximes can be easily synthesized from the corresponding ketones or aldehydes and thus provide a very large number of nitrogen-based ligands. They have the advantage of not undergoing oxidative degradation, common for phosphine ligands. Chelating oximes with Pd(OAc)(2), activate aryl iodides to give high yields of the substitution products in the Mizoroki-Heck reactions as well as the Suzuki coupling. Acetophenone oxime ligand with Pd(OAc)(2), catalyzed the reaction of aryl iodides with 1,2-disubstituted alkenes in moderate to high yields. As a test example, the LaRock indole annulation and synthesis of isocoumarin were achieved with acetophenone oxime ligand and Pd(OAc)(2)in high yields.

}, keywords = {Isocoumarin, LaRock annulation, Mizoroki-Heck reaction, oximes, Suzuki coupling}, issn = {0039-7911}, doi = {10.1080/00397911.2020.1826969, Early Access Date = SEP 2020}, author = {Bangar, Pronnoy G. and Nahide, Pradip D. and Meroliya, Heena K. and Waghmode, Shobha A. and Iyer, Suresh} } @article {47816, title = {Oxime ligands for Pd catalysis of the mizoroki{\textendash}heck reaction, Suzuki{\textendash}Miyaura coupling \& annulation reactions}, journal = {Synthetic Communications}, volume = {51}, year = {2021}, month = {JAN}, pages = {308-316}, type = {Article}, abstract = {AbstractMonodentate and bidentate chelating oximes are readily available ligands for the Pd catalysis of the Mizoroki{\textendash}Heck reaction and the Suzuki coupling. High yields were obtained in the Suzuki coupling in aqueous dioxane with TBABr as additive. The oximes can be easily synthesized from the corresponding ketones or aldehydes and thus provide a very large number of nitrogen-based ligands. They have the advantage of not undergoing oxidative degradation, common for phosphine ligands. Chelating oximes with Pd(OAc)2, activate aryl iodides to give high yields of the substitution products in the Mizoroki{\textendash}Heck reactions as well as the Suzuki coupling. Acetophenone oxime ligand with Pd(OAc)2, catalyzed the reaction of aryl iodides with 1,2-disubstituted alkenes in moderate to high yields. As a test example, the LaRock indole annulation and synthesis of isocoumarin were achieved with acetophenone oxime ligand and Pd(OAc)2 in high yields.}, doi = {10.1080/00397911.2020.1826969}, author = {Bangar, Pronnoy G. and Nahide, Pradip D. and Meroliya, Heena K. and Waghmode, Shobha A. and Iyer, Suresh} } @article {47698, title = {Ozone assisted autohydrolysis of wheat bran enhances xylooligosaccharide production with low generation of inhibitor compounds: a comparative study}, journal = {Bioresource Technology}, volume = {338}, year = {2021}, month = {OCT}, pages = {125559}, type = {Article}, abstract = {In the present study, ozone assisted autohydrolysis (OAAH) was evaluated for enhanced generation of xylooligosaccharide (XOS) from wheat bran. The total XOS yield with optimum ozone dose of 3\% (OAAH-3) was found to be 8.9\% (w/w biomass) at 110 degrees C in comparison to 7.96\% at 170 degrees C by autohydrolysis (AH) alone. Although, there was no significant difference in oligomeric composition (DP 2-6), significant decrease in degradation products namely furfural (2.78-fold), HMF (3.15-fold), acrylamide (nil) and acetic acid (1.06-fold), was observed with OAAH-3 as a pretreatment option. There was 1-fold higher xylan to XOS conversion and OAAH-hydrolysate had higher DPPH radical scavenging activity than AH. PCA plots indicated clear enhancement in XOS production and lower generation of inhibitors with decrease in treatment temperature. Results of the study therefore suggest OAAH can be an effective pretreatment option that can further be integrated with downstream processing for concentration and purification of XOS.}, keywords = {Advanced oxidation, Agro-industry waste, hydrothermal treatment, Ozonolysis, Xylooligosaccharide}, issn = {0960-8524}, doi = {10.1016/j.biortech.2021.125559}, author = {Sonkar, Rutuja Murlidhar and Gade, Pravin Savata and Bokade, Vijay and Mudliar, Sandeep N. and Bhatt, Praveena} } @article {47777, title = {One-pot concurrent biosynthesis of biphasic CuxO (cuprous and cupric oxide) nanoparticles using leaf extract of Eichhornia crassipes and investigation of their potent healthcare applications}, journal = {Emergent Materials}, year = {2022}, month = {FEB}, type = {Article}, abstract = {Eichhornia crassipes, an aquatic weed, has been used for the one-pot quick synthesis of cuprous and cupric oxide nanoparticles in this report. The identification and validation of the formed nanoparticles were successfully done by sophisticated characterization techniques such as UV{\textendash}visible spectroscopy, transmission electron microscopy (TEM), X-ray diffraction (XRD), and Fourier transform infrared (FTIR) spectroscopy. Their biomedical interventions were assessed by their antioxidant and anticancer activities. The synthesized nanoparticles have a spherical morphology with an average diameter of 10~nm. Antioxidant assay performed showed an increasing trend in a dose-dependent manner with the percentage radical scavenging activity up to 94.70\% at a much higher concentration of 1000~{\textmu}g/ml. The antioxidant potential at such higher concentration is suspected to invoke a change in the cytotoxic potential of the nanoparticles which is then verified by the MTT assay. A significant cytotoxic activity against HeLa (cervical cancer) and HCT 116 (colorectal carcinoma) cell lines was detected with noted IC50 values of 17.17 and 13.70~{\textmu}g/ml respectively. The conclusive findings obtained are enough to substantiate the use of these nanoparticles in biomedical areas specifically in anticancer treatment due to their high toxicities. The hazards imposed by Eichhornia crassipes can be alleviated by using them as biofactories for the synthesis of a variety of nanomaterials. This helps in curbing the water pollution issues as well as the developing synthesis protocols for robust and stable nanoparticles.}, isbn = {2522-574X}, doi = {10.1007/s42247-022-00347-1}, url = {https://doi.org/10.1007/s42247-022-00347-1}, author = {Moudgil, Aliesha and Varma, Sanjana and Shinde, Manish D. and Vamkudoth, Koteswara Rao and Sarkar, Dhiman M. and Shende, Rajnigandha A. and Amalnerkar, Dinesh and Chaudhari, Bhushan P.} } @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 {47991, title = {Optimization of Liquid Organic Hydrogen Carrier (LOHC) dehydrogenation system}, journal = {International Journal of Hydrogen Energy}, volume = {47}, year = {2022}, month = {AUG}, pages = {28530-28547}, type = {Article}, abstract = {

In this paper, the perhydrodibenzyltoluene dehydrogenation flowsheet has been simulated. Modelling of the dehydrogenation reactor has been performed using the 1-D model. External and internal mass transfer resistances are also considered. Non-isothermal pellet condition has been considered for simulating the dehydrogenation reactor. The flowsheet simulation has been carried out in DW-Sim v 6.5.2 integrated with the reactor model coded in Python. NET. The dehydrogenation reactor is operated at a feed temperature between 523 K -613 K, a wall temperature of 623 K and 653 K, and a reactor pressure maintained at 1.2 atm. The amount of catalyst required for the perhydrodibenzyltoluene (PDBT) dehy-drogenation reactor is evaluated such that the conversion reaches 99\%. The process flowsheet has been simulated to produce 10 Nm(3)/hr of industrial-grade hydrogen. The effects of feed temperature, wall temperature, and hydrogen burner efficiency on various system requirements, including catalyst weight, energy supplied to the dehydrogenation reactor, areas of the heat exchanger, and hydrogen production from the reactor, have been discussed. Preliminary cost optimization based on the heat exchangers and catalyst at various feed temperatures, reactor wall temperature, and hydrogen burner efficiency has been carried out. (C) 2022 Hydrogen Energy Publications LLC. Published by Elsevier Ltd. All rights reserved.

}, keywords = {Dehydrogenation, DWSim, LOHC, Perhydrodibenzyltoluene, Python, simulation}, issn = {0360-3199}, doi = {10.1016/j.ijhydene.2022.06.197}, author = {Rao, Nihal and Lele, Ashish K. and Patwardhan, Ashwin W.} } @article {48409, title = {Overview of erythritol production by yeast strains}, journal = {Fems Microbiology Letters}, volume = {369}, year = {2022}, month = {NOV}, pages = {fnac107}, type = {Review}, abstract = {

Erythritol is a 4-carbon polyol produced with the aid of microbes in presence of hyper-osmotic stress. It is the most effective sugar alcohol that is produced predominantly by fermentation. In comparison to various polyols, it has many precise functions and is used as a flavor enhancer, sequestrant, humectant, nutritive sweetener, stabilizer, formulation aid, thickener, and a texturizer. Erythritol production is a common trait in a number of the yeast genera viz., Trigonopsis, Candida, Pichia, Moniliella, Yarrowia, Pseudozyma, Trichosporonoides, Aureobasidium, and Trichoderma. Extensive work has been carried out on the biological production of erythritol through Yarrowia, Moniliella, Candida, and other yeast strains, and numerous strategies used to improve erythritol productivity through mutagenesis and genetic engineering are discussed in this review.

}, keywords = {Erythritol, erythrose reductase, hyperosmotic stress response, metabolic pathways, Yeast, yeast expression}, issn = {0378-1097}, doi = {10.1093/femsle/fnac107}, author = {Khatape, Anil B. and Dastager, Syed G. and Rangaswamy, Vidhya} } @article {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 {48784, title = {One-pot synthesized efficient molybdenum-niobium-oxide nanocatalyst for selective C-O and C-N coupling reactions at mild conditions}, journal = {Catalysis Communications}, volume = {183}, year = {2023}, month = {OCT}, pages = {106766}, type = {Article}, abstract = {

An efficient molybdenum-niobium-oxide nanomaterial was synthesized by a one-pot hydrothermal method for selective C-O (glycerol ketalization) and C-N coupling (benzylamine oxidation) reactions. The catalytically favourable properties, such as defective metal sites, truncated surfaces, and uniform metal dispersion in the MoO3-Nb2O5 nanorods, calcined at 500 degrees C (MoNb OPS-5), were confirmed by Raman, HR-TEM, and STEM-EDX, respectively. Because of improved Lewis/Bronsted acidic strength, the MoNb OPS-5 catalyst showed higher activity in glycerol ketalization and benzylamine oxidation at mild conditions, giving superior selectivity to solketal (97\%) and dibenzylimine (99\%), respectively. The MoNb OPS-5 catalyst showed high structural stability and considerable good reusability efficacy.

}, keywords = {C-O and C-N coupling, Glycerol and benzylamine, Mo-Nb-O nanocatalyst, nanocatalysts, One-pot hydrothermal synthesis}, issn = {1566-7367}, doi = {10.1016/j.catcom.2023.106766}, author = {Kalbande, Pavan Narayan and Singh, Nittan and Swapna, Bhattu and Umbarkar, Shubhangi and Sudarsanam, Putla} } @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 {48681, title = {Organocatalysed one-pot three component synthesis of 3,3'-disubstituted oxindoles featuring an all-carbon quaternary center and [spiro 2H-pyran-3,4'-indoline]}, journal = {RSC Advances}, volume = {13}, year = {2023}, month = {APR}, pages = {13206-13212}, type = {Article}, abstract = {

A simple and efficient methodology for the one-pot synthesis of 3,3 {\textquoteleft}-disubstituted oxindoles featuring an all-carbon quaternary center has been demonstrated through l-proline catalysed three-component reaction based on sequential Knoevenagel condensation/Michael addition and also one-pot synthesis of spiro[2H-pyran-3,4 {\textquoteleft}-indoline] through consecutive Knoevenagel condensation/Michael addition/reduction/cyclization reactions from readily available isatin derivatives, malononitrile, and ketones. The present methodology presents several advantages, including simple reaction set-up, short reaction times, and easy to work-up. Also, this strategy offers broad substrate scope with excellent yields and high atom economy, under mild reaction conditions.

}, doi = {10.1039/d3ra00510k}, author = {Nichinde, Chandrakant B. and Patil, Baliram R. and Chaudhari, Suryakant S. and Mali, Bhupendra P. and Gonnade, Rajesh G. and Kinage, Anil K.} } @article {48260, title = {Organophosphites: an addition to the arsenal of organocatalysts}, journal = {European Journal of Organic Chemistry}, volume = {26}, year = {2023}, month = {JAN}, type = {Review}, abstract = {

Organophosphites are nucleophilic in nature and can act as a good leaving group owing to the stability of the phosphite anion. This dual reactivity makes them good candidates for nucleophilic organocatalysis. However, phosphites were introduced only in 2004 as the umpolung catalyst for acylsilane substrates utilizing sequential Brook rearrangements. Very recently, phosphites have been reported to catalyze aza-rearrangements and radical reactions. In this review, we discuss the reactivity parameters to understand its lack of use, as well as the potential for catalysis.

}, keywords = {acylradical, azaacyl equivalent, cylanion, organocatalysis, phosphite}, issn = {1434-193X}, doi = {10.1002/ejoc.202201238}, author = {Baral, Nilofar and Rani, Soniya and Saikia, Pinku and Maity, Pradip} } @article {48811, title = {Origin of optoelectronic contradictions in 3,4-cycloalkyl[c]-chalcogenophenes: a computational study}, journal = {Polymers}, volume = {15}, year = {2023}, month = {NOV}, pages = {4240}, type = {Article}, abstract = {

The planar morphology of the backbone significantly contributes to the subtle optoelectronic features of pi-conjugated polymers. On the other hand, the atomistic tuning of an otherwise identical pi-backbone could also impact optoelectronic properties systematically. In this manuscript, we compare a series of 3,4-cycloalkylchalcogenophenes by tuning them atomistically using group-16 elements. Additionally, the effect of systematically extending these building blocks in the form of oligomers and polymers is studied. The size of the 3,4-substitution affected the morphology of the oligomers. In addition, the heteroatoms contributed to a further alteration in their geometry and resultant optoelectronic properties. The chalcogenophenes, containing smaller 3,4-cycloalkanes, resulted in lower bandgap oligomers or polymers compared to those with larger 3,4-cycloalkanes. Natural bonding orbital (NBO) calculations were performed to understand the disparity alongside the contour maps of frontier molecular orbitals (FMO).

}, keywords = {chalcogenophene, DFT calculation, Morphology, optoelectronic properties, steric effect}, doi = {10.3390/polym15214240}, author = {Masilamani, Ganesh and Krishna, Gamidi Rama and Debnath, Sashi and Bedi, Anjan} } @article {48292, title = {Oxidation of ethylene by Cu/TiO2: reducibility of Cu2+ in TiO2 as a possible descriptor of catalytic efficiency}, journal = {Catalysis Science \& Technology}, volume = {13}, year = {2023}, month = {APR}, pages = {2330-2339}, type = {Article}, abstract = {

Catalytic oxidation using non-noble metal-based catalysts is a promising approach to mitigate pollution due to VOCs in the air. In this work, mesoporous Cu/TiO2 catalysts containing different concentrations of Cu2+ (0.2, 1, 3, and 4 wt\% Cu w.r.t. Ti) were synthesized using the sol-gel technique. The catalysts were characterized using inductively coupled plasma-optical emission spectrometry, XRD, Raman spectroscopy, N-2 physisorption, cyclic voltammetry, H-2-TPR and electron microscopy to understand the structure and composition. The thermal catalytic gas phase oxidation of ethylene was studied by heating a mixture of ethylene (1.5 vol\%) and air (5.9 vol\%) in the presence of the Cu/TiO2 samples in the temperature range of 298 to 773 K. Cu/TiO2 showed a higher catalytic activity compared to TiO2 for the thermal oxidation of ethylene, indicating a strong promotion by doped copper ions. A volcanic behaviour in the catalytic activity was observed with different concentrations of Cu doping, with 1\% Cu/TiO2 showing a 99.5\% ethylene conversion at 673 K and 100\% selectivity to CO2. The activity of 1\% Cu/TiO2 remained consistent without deactivation for 24 h. At low dopant concentrations of Cu (0.2 and 1\% Cu/TiO2), the reduction of Cu2+ to Cu+ was observed. An interplay of oxygen vacancies (O-V), Cu+, Cu2+ and Ti4+ may be involved in controlling the activity. DRIFT studies indicated the formation of surface bidendate carbonate as a possible intermediate.

}, issn = {2044-4753}, doi = {10.1039/d2cy02170f}, author = {Rajendran, K. and Sharma, Mandeep and Jaison, Augustine and Ankitha, Menon and Tiwari, Ankit D. and Vinod, C. P. and Jagadeesan, Dinesh} } @article {49370, title = {Ocimum kilimandscharicum 4CL11 negatively regulates adventitious root development via accumulation of flavonoid glycosides}, journal = {Plant Journal}, volume = {119}, year = {2024}, month = {JUL}, pages = {176-196}, type = {Article}, abstract = {

4-Coumarate-CoA Ligase (4CL) is an important enzyme in the phenylpropanoid biosynthesis pathway. Multiple 4CLs are identified in Ocimum species; however, their in planta functions remain enigmatic. In this study, we independently overexpressed three Ok4CL isoforms from Ocimum kilimandscharicum (Ok4CL7, -11, and -15) in Nicotiana benthamiana. Interestingly, Ok4CL11 overexpression (OE) caused a rootless or reduced root growth phenotype, whereas overexpression of Ok4CL15 produced normal adventitious root (AR) growth. Ok4CL11 overexpression in N. benthamiana resulted in upregulation of genes involved in flavonoid biosynthesis and associated glycosyltransferases accompanied by accumulation of specific flavonoid-glycosides (kaempferol-3-rhamnoside, kaempferol-3,7-O-bis-alpha-l-rhamnoside [K3,7R], and quercetin-3-O-rutinoside) that possibly reduced auxin levels in plants, and such effects were not seen for Ok4CL7 and -15. Docking analysis suggested that auxin transporters (PINs/LAXs) have higher binding affinity to these specific flavonoid-glycosides, and thus could disrupt auxin transport/signaling, which cumulatively resulted in a rootless phenotype. Reduced auxin levels, increased K3,7R in the middle and basal stem sections, and grafting experiments (intra and inter-species) indicated a disruption of auxin transport by K3,7R and its negative effect on AR development. Supplementation of flavonoids and the specific glycosides accumulated by Ok4CL11-OE to the wild-type N. benthamiana explants delayed the AR emergence and also inhibited AR growth. While overexpression of all three Ok4CLs increased lignin accumulation, flavonoids, and their specific glycosides were accumulated only in Ok4CL11-OE lines. In summary, our study reveals unique indirect function of Ok4CL11 to increase specific flavonoids and their glycosides, which are negative regulators of root growth, likely involved in inhibition of auxin transport and signaling.

}, keywords = {4-Coumarate-CoA ligase, 7-O-bis-alpha-l-rhamnoside, adventitious root, auxin transport, Flavonoids, kaempferol-3, Ocimum kilimandscharicum, quercetin-3-O-rutinoside, rootless}, issn = {0960-7412}, doi = {10.1111/tpj.16752}, author = {Lavhale, Santosh G. and Kondhare, Kirtikumar R. and Sinthadurai, Veenothini S. and Barvkar, Vitthal T. and Kale, Rutuja S. and Joshi, Rakesh S. and Giri, Ashok P.} } @article {49072, title = {Oligo(phenyleneethynylene)s: shape-tunable building blocks for supramolecular self-assembly}, journal = {Angewandte Chemie-International Edition}, volume = {63}, year = {2024}, month = {APR }, type = {Review}, abstract = {

Oligo(phenyleneethynylene)s (OPEs) have attracted widespread attention due to their remarkable (opto)electronic and photophysical properties, which have enabled numerous applications. The versatile functionalization possibilities of OPEs make them unique candidates to form various shape-persistent geometries, including linear, triangular, rectangular, hexagonal and macrocyclic. However, as a result of this structural variety, it is oftentimes challenging to correlate molecular design with self-assembly properties. In this minireview, we have classified OPEs based on their molecular shapes and correlated them with their self-assembly behavior in solution. Particularly, we provide important insights into the aggregation propensity of the different molecular shapes and how to tune the association strength using various non-covalent interactions. Our classification will enable a better understanding of the structure-property correlation in OPEs, which is key to develop supramolecular functional materials.

}, keywords = {non-covalent interactions, Oligo(phenyleneethynylene)s, pi-conjugated systems, Self-assembly, Supramolecular Polymerizaton}, issn = {1433-7851}, doi = {10.1002/anie.202402259}, author = {Fernandez, Zulema and Sanchez, Luis and Santhosh Babu, Sukumaran and Fernandez, Gustavo} } @article {49642, title = {One-pot catalytic conversion of sucrose to 1,2-propanediol over titania supported Ni-Ce metal catalyst under milder reaction conditions}, journal = {Biomass Conversion and Biorefinery}, volume = {14}, year = {2024}, month = {OCT}, pages = {24703-24714}, type = {Article}, abstract = {

The increased energy demand and decreasing fossil resources have driven the research community to look into a sustainable, green process to meet the energy demands. India being one of the top producers of sugarcane derived sucrose, and conversion of surplus sucrose to value chemicals is always an advantage. 5\%Ni-15\%Ce/TiO2 catalyst is found to produce high yield of 1,2-PDO (similar to 74\%) under very mild reaction condition of 180 degrees C, 30 bar H-2 for 3-h reaction time. The characterization of the catalyst by using various physicochemical methods indicates the synergy between Ni-Ce bimetal which enhances the selective production of glycol. The low temperature and pressure requirement and the advantage of being the one-pot process will always attract the future scope of commercialization.

}, keywords = {Glycol, Low pressure, Low temperature, Ni-Ce catalyst, Sucrose, titania}, issn = {2190-6815}, doi = {10.1007/s13399-023-04781-x}, author = {Sreekantan, Sreejith and Sreedharan, Sarath and Kirali, Arun Arunima Balachandran and Yadav, Parmeshwar and Marimuthu, Banu} } @article {49394, title = {One-pot, easy and scalable synthesis of large-size short wave length IR emitting PbS quantum dots}, journal = {Photochemistry and Photobiology}, volume = {100}, year = {2024}, month = {JUL}, pages = {1020-1030}, type = {Article}, abstract = {

This study presents a versatile and efficient method to synthesize large-size lead sulfide (PbS) quantum dots (QDs) that display emission in the short-wave infrared (SWIR) region, using accessible and stable diethylammonium diethyldithiocarbamate (C-2)(2)DTCA and octylammonium octyldithiocarbamate (C(8)DTCA) as sulfur sources. As these sulfur sources enable the formation of well-dispersed, large-size PbS QDs in a very convenient way, this method can further be taken up for scale-up studies. Importantly, this approach allows precise control over QD sizes, thereby enhancing their SWIR optical properties. By adjusting the hot injection temperatures and sulfur source concentrations, different synthesis routes are explored, providing flexibility for the desired QD characteristics. The results presented here offer a promising opportunity to leverage the synthesized PbS QDs in applications such as optoelectronics, sensors, and imaging technology.

}, keywords = {hot injection method, Optical properties, quantum dots, short wave IR emission}, issn = {0031-8655}, doi = {10.1111/php.13996}, author = {Sahu, Umasharan and Prasad, Bhagavatula L. V.} } @article {49357, title = {One-pot production of liquid hydrocarbons by catalytic hydrodeoxygenation of lignocellulosic biomass using nickel loaded on zeolite-based supports}, journal = {Energy \& Fuels}, volume = {38}, year = {2024}, month = {JUL }, pages = {13029-13038}, type = {Article}, abstract = {

The synthesis of liquid hydrocarbons from lignocellulosic biomass has been achieved with notable success. However, these technologies often require multistep approaches and are energy intensive. Thus, there is a considerable economic and environmental benefit of process intensification by the synthesis of liquid hydrocarbons in a one-pot process. For the first time, we report direct conversion of raw poplar into liquid alkanes and aromatics (carbon yield of 15.6 +/- 0.6 wt \%) with high selectivity toward C-7-C15 cycloalkanes (7.8 +/- 0.1 wt \%) and low level of oxygenated compounds (\<2.0 wt \%) at 270 degrees C and 3 MPa initial H(2 )pressure for 6 h using 10\% Ni/H-beta zeolite as a catalyst and cyclohexane as a solvent. The effect of temperature (250-270 degrees C), Ni loading (0-10\%), and type of zeolite support (H-beta, ZSM-5, and USY) on process performance was also investigated. In addition, the 10\% Ni/H-beta catalyst showed recyclability over two reactions, with a 17.6\% decrease in liquid hydrocarbon yield after the first reaction. This approach has the potential to simplify the synthesis of liquid fuels from lignocellulosic biomass.

}, issn = {0887-0624}, doi = {10.1021/acs.energyfuels.4c00659}, author = {Siakpebru, Odiri K. and Uchagawkar, Anoop and Gurrala, Lakshmiprasad and Bartlett, Jared and Adamson, Piersen and Gorschak, Nicholas and Hassiba, Adam and Niphadkar, Prashant and Bokade, Vijay and Morais, Ana Rita C.} } @article {49252, title = {One-pot synthesis of pyrazoles from sulfonyl hydrazides and alkynyl ketones using environmentally benign sulfonium iodate (I) reagent}, journal = {ChemistrySelect}, volume = {9}, year = {2024}, month = {OCT}, pages = {e202403249}, type = {Article}, abstract = {

Pyrazole is an omnipresent moiety in many natural products and pharmaceutically active compounds. Here, we have developed a simple and dynamic method for one-pot synthesis of substituted pyrazoles through the intramolecular cyclization of hydrazides and alkynyl ketones, using a novel sulfonium saltbased iodate (\& Iukcy;) reagent system. This method has the advantage that it proceeds in a one-pot, without isolating a less stable hydrazone intermediate. Hypervalent iodine-based reagents are an environmentally benign and greener option to toxic metal oxidants; they have an extensive application in metal-catalyst-free reactions, and this reaction proceeds in less time with high yields.

}, keywords = {Deprotonation, One-pot reaction, Oxidative iodination, Pyrazole, S(N)2-type cyclization}, issn = {2365-6549}, doi = {10.1002/slct.202403249}, author = {Mishra, Akanksha and Talukdar, Mrinal and Krishna, Gamidi Rama and Begari, Eeshwaraiah} } @article {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 {49643, title = {Organocatalyzed [4+2] cycloaddition of α,β-unsaturated ketones and isatylidene malononitrile: accessing spiro[3-arylcyclohexanone]oxindole derivatives}, journal = {RSC Advances}, volume = {14}, year = {2024}, month = {JAN}, pages = {2873-2877}, type = {Article}, abstract = {

Herein, we developed a series of compounds featuring spiro[3-arylcyclohexanone]oxindoles through Barbas [4 + 2] cycloaddition reactions between isatylidene malononitrile and alpha,beta-unsaturated ketones using l-proline as an organocatalyst. The reported methodology offers many advantages such as mild reaction conditions, diverse substrate scope with high yields, easy reaction setup, and use of easily synthesizable starting materials. An l-proline catalyzed-Barbas-[4 + 2]-cycloaddition reaction is reported for the synthesis of spiro[3-arylcyclohexanone]oxindole derivatives. The method can tolerate a diverse substrate scope with high yields.

}, doi = {10.1039/d3ra07652k}, author = {Patil, Baliram R. and Nichinde, Chandrakant B. and Chaudhari, Suryakant S. and Krishna, Gamidi Rama and Kinage, Anil K.} } @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 {49644, title = {Oxime ligands: organometallic synthesis and catalysis}, journal = {SYNTHETIC COMMUNICATIONS}, volume = {54}, year = {2024}, month = {MAR}, pages = {417-459}, type = {Review}, abstract = {

Ligands are at the heart of coordination chemistry. They conjure the magic of transition metals expressed in organometallic catalysis. Phosphine or P-ligands have found vast utility in transition metal chemistry, though demanding tedious synthesis. Several N, S-based ligands also find application in organometallic chemistry. Oximes are easily derived from aldehydes and ketones by simple reactions with hydroxylamine. Thus, an extensive library of oximes is available with different structural and electronic variations essential for coordination chemistry and catalysis. Several compounds with complex structural features, unavailable for phosphorous ligands, can be readily converted into active oxime ligands in a single derivatization step. Oxime ligands and metal complexes are applied in synthesizing diverse organic molecules and thus versatile ligands in organotransition metal chemistry.

}, keywords = {cobaloxime, Cross-coupling, oxime palladacycles, oximes, radical cyclization}, issn = {0039-7911}, doi = {10.1080/00397911.2023.2297038}, author = {Iyer, Suresh} } @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 {49549, title = {Optimization and mechanistic insights of zinc ascorbate catalyst for ring-opening polymerization of caprolactone using RSM methodology and DFT calculations}, journal = {Polymers for Advanced Technologies}, volume = {36}, year = {2025}, month = {APR}, pages = {e70182}, type = {Article}, abstract = {

Polycaprolactone (PCL) is an aliphatic polyester recognized for its exceptional versatility and biodegradability, which has garnered significant attention for a wide range of applications. This study presents an innovative methodology for the synthesis of PCL through the ring-opening polymerization (ROP) of epsilon-caprolactone (CL). The approach employs a biocompatible and environmentally benign organometallic zinc ascorbate complex as a catalyst. Derived from ascorbic acid, a well-established reducing agent, zinc ascorbate serves as a sustainable alternative to conventional tin-based catalysts, thereby mitigating environmental impact and enhancing safety measures. The catalyst operates effectively under solvent-free conditions and does not require initiators, achieving a high polymer conversion rate of approximately 79\%. The optimization of the reaction parameters was conducted using response surface methodology (RSM) employing a central composite design (CCD). The structural and chemical characterization of the catalyst as well as the resulting polymers was performed using proton nuclear magnetic resonance (1H NMR), Fourier-transform infrared spectroscopy (FTIR), and x-ray diffraction (XRD) analyses. Additionally, density functional theory (DFT) calculations elucidated a four-step coordination-insertion mechanism for the polymerization of cyclic lactones, with findings supported by Gibbs free energy, electrostatic potential, and non-covalent interactions. This study underscores the potential of zinc ascorbate as a reliable, nontoxic, and cost-effective catalyst, fulfilling the increasing demand for sustainable and efficient polymerization processes in commercial and biomedical applications.

}, keywords = {density function theory, Polycaprolactone, Response surface methodology, ring-opening polymerization, zinc ascorbate}, issn = {1042-7147}, doi = {10.1002/pat.70182}, author = {Naik, Sonali S. and Vedpathak, Shantanu and Nair, Kiran Sukumaran} } @article {49529, title = {Optimizing H2/CO2 binary gas mixture separation using Li-K-ETS-10 zeolite: Breakthrough analysis and impact of operational conditions}, journal = {International Journal of Hydrogen Energy}, volume = {105}, year = {2025}, month = {MAR}, pages = {673-683}, type = {Article}, abstract = {

The polycation-exchanged ETS-10 (Li-K-ETS-10) zeolite was employed as a sorbent in breakthrough experiments using a binary H2/CO2 (75/25\%) gas mixture. The data compared with parent adsorbent (NaK)-ETS-10, and mono cation exchange of ETS-10 (K-ETS-10 and Li-ETS-10). Adsorbents underwent for various characterization including XRD, Raman, FTIR, EDS, CO2-TPD, BET surface area, and pore diameter of samples to understand the physicochemical properties. CO2-TPD shows that Li-K-ETS-10 has higher basicity than parent (NaK)-ETS-10. The process parameters were optimized to ensure a higher CO2 sorption capacity and better H2 purity including effects of flow rate, pressure, temperature, feed concentration, bed height, and recyclability. The adsorption capacities of CO2 and H2 were found to be 1.57 mmol g- 1 and 0.24 mmol g-1, respectively, at 1 bar and a flow rate of 200 mL min- 1. These values represent a 40\% improvement over (NaK)-ETS-10 and a-10.4\% improvement over Li-ETS-10. At 6 bar, the CO2 and H2 adsorption capacities reached 2.79 mmol g- 1 and 0.22 mmol g-1, respectively. The higher CO2 sorption over Li-K-ETS-10 leads due to improve in basic sites and physical properties of sample compare to studied adsorbent. The experimental data of binary gas mixture was used to evaluate the kinetic models including Thomas, and Yoon-Nelson. This results implies that Li-K-ETS-10 is the promising candidates for H2 separation from binary gas mixture.

}, keywords = {adsorbent, Binary gas stream, Breakthrough study, H2/CO2 separation, Kinetic modelling, Li-K-ETS-10}, issn = {0360-3199}, doi = {10.1016/j.ijhydene.2025.01.324}, author = {Shrotri, Aadesh R. and Nandanwar, Sachin U.} } @article {49533, title = {Organophotoredox-catalyzed decarboxylative C-O/N/S bond formation: access to ampakine APIs and quinazolinone alkaloids}, journal = {Organic Letters}, volume = {27}, year = {2025}, month = {APR}, pages = {3871-3876}, type = {Article}, abstract = {

This study describes a novel and general protocol featuring organophotoredox-catalyzed intramolecular decarboxylative construction of carbon-heteroatom (oxygen, nitrogen, and sulfur) bonds, enabling direct access to ampakine APIs (CX-614 and CX-554), quinazolinone alkaloids (deoxyvasicinone and mackinazolinone), and thiazinone scaffolds as well as their congeners with broad functional group tolerance and scalability. Mechanistic studies suggest a radical-polar crossover pathway via single-electron oxidation.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.5c00565}, author = {Sonavane, Sameer R. and Kale, Tushar B. and Bhatt, Gaurang J. and Mhaske, Santosh B.} } @article {49459, title = {Oxidase-like nanozyme activity of ultrathin copper metal{\textendash}organic framework nanosheets with high specificity for catechol oxidation}, journal = {ChemCatChem}, volume = {17}, year = {2025}, month = {JAN}, type = {Article}, abstract = {

In nature, catechol oxidase catalyzes the oxidation of\ o-diphenol to\ o-quinone to produce a series of highly important polyphenolic natural products. Although mimicking the functionality of natural enzyme using a nanozyme was found to be beneficial, attaining a high specificity is challenging. Herein, we have explored the thickness-dependent oxidase activity and specificity of Cu-metal-organic framework (MOF) nanosheets. The unique synthetic method offers control over the thickness of the Cu-MOF nanosheets. The ultrathin (4\ nm) Cu-MOF (Cu-UMOF) nanosheets as an oxidase nanozyme exhibit high specificity for catechol oxidation without having any peroxidase activity. Interestingly, the thicker (20{\textendash}30\ nm) Cu-MOF nanosheets showed poor catechol oxidase and peroxidase activity. The binuclear Cu-center, coordinative, and electronic unsaturation tuned electronic structure in Cu-UMOF, resulting in higher specificity for catechol oxidation than thicker Cu-MOF.

}, doi = {https://doi.org/10.1002/cctc.202401029}, author = {Singh, Ajit Kumar and Sharma, Deepika and Singh, Devesh Kumar and Sarraf, Sonu and Basu, Aviru Kumar and Ganesan, Vellaichamy and Saha, Avishek} } @article {49813, title = {One-pot tandem oxidative-wittig olefination of primary alcohols using spent battery material as a heterogeneous catalyst in green solvent GVL}, journal = {Catalysis Letters}, volume = {156}, year = {2026}, month = {JAN}, pages = {44}, type = {Article}, abstract = {

Extensive global utilization of dry cell batteries resulted in generation of huge amount of battery waste. Up-cycling of spent battery waste material as a heterogeneous catalyst is an emerging area of research. Cathode material from spent dry cell battery (Zinc-carbon) was isolated, acid leached and calcined to obtain BCM-2 which was used as a heterogeneous catalyst for one-pot tandem oxidative-Wittig olefination in \& upsih;-valerolactone (GVL) a bio-based green solvent at a temperature of 50 degrees C. Reaction was found to proceed smoothly using an economical catalyst and environment friendly conditions to get olefins in good yield up-to 74\%. The catalyst was found to be reusable for four cycles. The reaction was carried out two-steps in one pot using spent battery material as a catalyst in GVL as a solvent under mild reaction conditions and the applicability of catalyst was shown in 13 examples. The catalyst{\textquoteright}s effectiveness was also assessed in synthesis of (E)-3, 4 {\textquoteleft}, 5-trimethoxy-trans-stilbene, an intermediate for biologically active Resveratol.

}, keywords = {One-pot, Oxidation, Spent battery, Wittig olefination}, issn = {1011-372X}, doi = {10.1007/s10562-025-05283-3}, author = {Bankar, Shubham R. and Ghadge, Sambhaji S. and Jadhav, Vrushali H.} } @article {49765, title = {One-step microwave-assisted synthesis of a MoO3-x-covalent organic framework (COF)-based nanocomposite for amplified surface-enhanced Raman spectroscopy in environmental applications}, journal = {Nanoscale}, volume = {18}, year = {2026}, month = {JAN }, type = {Article}, abstract = {

This study introduces a novel one-step microwave-assisted (MW-AT) synthesis strategy for a TpTTA COF and demonstrates the fabrication of a MoO3-x-TpTTA COF-based nanocomposite (NC) for the first time. This method significantly reduces synthesis time (similar to 1 h) while achieving a high yield at a moderate temperature (120 degrees C). In contrast, traditional solution-based COF synthesis methods may take several days with continuous heating at higher temperatures (\<= 200 degrees C). The as-synthesized MoO3-x-COF-based NC was shown to serve as an affordable and straightforward substrate for surface-enhanced Raman scattering (SERS) detection of an organic dye, such as methylene blue (MB), achieving a maximum enhancement factor (EF) of 7.76 x 104. The incorporation of MoO3-x into the COF provides several advantages, including plasmonic enhancement by nonstoichiometric transition metal oxide (TMO) without requiring the addition of noble nanocrystals (e.g., Ag, Au, etc.), improved stability of the SERS substrate, comparable SERS sensitivity, and reduced costs. Furthermore, the as-synthesized MoO3-x-TpTTA COF-based SERS substrate demonstrated exceptional detection capabilities with high reproducibility, achieving a limit of detection (LOD) as low as 12.5 ppm for Mancozeb (Mz), a common commercially used dithiocarbamate insecticide used on various vegetables, fruits, nuts, and field crops. Notably, Mz is classified as a category III carcinogen by the International Agency for Research on Cancer. This highlights the potential for developing TMO-COF-based NCs for next-generation SERS-based applications in environmental and food safety monitoring.

}, issn = {2040-3364}, doi = {10.1039/d5nr02849c}, author = {Patil, Manoj Krishnat and Wagh, Premjeet Gangadhar and Mukherjee, Shatabdi Porel} } @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} }