@article { ISI:000227108800014, title = {Temperature-induced phase transitions of the ordered superlattice assembly of Au nanoclusters}, journal = {Journal of Physical Chemistry B}, volume = {109}, number = {7}, year = {2005}, month = {FEB}, pages = {2552-2558}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Superlattices of monolayer protected metallic and semiconducting nanoclusters have attracted significant attention due to their promising applications in nanotechnology. In this paper, we investigate the effect of temperature on the ordered superlattice structure of relatively larger sized An nanoclusters passivated with dodecanethiol [ca. Au-1415(RS)(328)] with the help of in situ temperature controlled X-ray diffraction (XRD) and infrared spectroscopy (IR) in conjunction with thermogravimetric (TG) and differential scanning calorimetric (DSC) analysis. In brief, monolayer protected Au nanoclusters (AuMPC) were prepared by a modified Brust synthesis technique, where dodecanethiol itself acts as both phase transfer and simultaneous capping agent during the reduction process, generating an average particle size of 3.72+/-0.4 nm after repeated solvent extraction and careful fractionation experiments. These particles are characterized with the help of UV-vis, transmission electron microscopic (TEM), IR, and NMR techniques, where effective capping as well as the superlattice formation on the TEM grid is evident from the combined analysis of these results. In situ low-angle XRD analysis shows that the particles undergo an irreversible phase transition in the temperature range of 100-115degreesC, which is also reflected in the data from in situ IR analysis. However, the DSC analysis does not account for this phase transition, although the reversible phase transition due to the alkyl chain dynamics is in good agreement with the previously reported results. These results indicate the formation of temperature-induced, diffusion-limited phase transition involving nonequilibrium fractal structures, which is in good agreement with the previous available theoretical studies. The determination of the temperature window for the stability of these ordered assemblies would be used to understand the effect of thermal stress for device applications.

}, issn = {1520-6106}, doi = {10.1021/jp045709x}, author = {Chaki, N. K. and Vijayamohanan, K. P.} } @article { ISI:000230297800006, title = {tert-Butylation of p-cresol over WOx/ZrO2 solid acid catalysts}, journal = {Journal of Molecular Catalysis A - Chemical}, volume = {235}, number = {1-2}, year = {2005}, month = {JUL}, pages = {44-51}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {p-Cresol, tert-butylation, tungsten oxide, Zirconia}, issn = {1381-1169}, doi = {10.1016/j.molcata.2005.03.019}, author = {Sarish, S. and Devassy, Biju M. and Halligudi, Shivaraj B.} } @article { ISI:000226847200018, title = {Tetrazine derived mononuclear Ru-II(acac)(2)(L)(1), [Ru-II(bpy)(2)(L)](ClO4)(2)(2) and [Ru-II(bpy)(L)(2)](ClO4)(2)(3) (L=3-amino-6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazine, acac = acetylacetonate, bpy=2,2 {\textquoteright}-bipyridine): syntheses, structures, spectra}, journal = {Polyhedron}, volume = {24}, number = {2}, year = {2005}, month = {JAN}, pages = {333-342}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Mononuclear ruthenium complexes of tetrazine derived L, Ru-II(acac)(2)(L) (1), [Ru-II(bpy)(2)(L)](ClO4)(2) (2) and [Ru-II(bpy)(L)(2)](ClO4)2 (3) (L = 3-amino-6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazine, acac = acetylacetonate and bpy = 2,2{\textquoteright}-bipyridine) were prepared. The free L exists as a dimeric entity in the solid state via hydrogen bonding interactions involving L and water molecules present in the crystal lattice. 1 exhibits unusually strong bonds from Ru-II to coordinating pyrazolyl-N (2.040(2) Angstrom) and especially to tetrazine-N (1.913(2) Angstrom). The Ru-III/Ru-II couples of 1-3 appeared at 0.28, 1.34 and 1.50 V versus SCE, respectively. The tetrazine and bpy-based reductions were observed at -1.33 (1); -0.55 and -1.55/-1.75/-1.98 (2); -0.47/-0.78 and -1.80/-2.02 V (3), respectively. 1, 2 and 3 displayed two MLCT bands each, corresponding to dpi(Ru-II) --\> pi* (L, tetrazine) and dpi(Ru-II) --\> pi* (acac or bpy or L) transitions. 1(+) and 2(+) showed rhombic EPR spectra at 110 and 4 K, respectively and 1(-), 2(-) and 3(-) exhibited multiple line EPR spectra at 300 K. 1-3 exhibited moderately strong emission spectra in EtOH-MeOH glass at 77 K. (C) 2004 Elsevier Ltd. All rights reserved.

}, keywords = {Electrochemistry, redox, ruthenium-tetrazine, spectra, structure, synthesis}, issn = {0277-5387}, doi = {10.1016/j.poly.2004.11.019}, author = {Nayak, A. and Patra, S. and Sarkar, B. and Ghumaan, Sandeep and Puranik, Vedavati G. and Kaim, Wolfgang and Lahiri, Goutam Kumar} } @article { ISI:000228936300008, title = {Textural/structural, stability and morphological properties of mesostructured silicas (MCM-41 and MCM-48) prepared using different silica sources}, journal = {Catalysis Communications}, volume = {6}, number = {5}, year = {2005}, month = {MAY}, pages = {361-366}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

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

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

}, keywords = {Activation energy, Degradation, kinetics (polym.), Polycondensation, polyesters}, issn = {0021-8995}, doi = {10.1002/app.21587}, author = {Mule, Smita Atmaram and Ghadage, R. S. and Jacob, Nalini E. and Rajan, C. R. and Ponrathnam, Surendra} } @article { ISI:000227960800029, title = {Thermal, magnetic and spectral studies of metal-quinone complexes Part III. radical coordination and hydrogen bonding mediated exchange interaction in copper-hydroxyquinone complex}, journal = {Journal of Thermal Analysis and Calorimetry}, volume = {79}, number = {3}, year = {2005}, month = {FEB}, pages = {669-675}, publisher = {SPRINGER}, type = {Article}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

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

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

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

}, issn = {0024-9297}, doi = {10.1021/ma050786r}, author = {Hourdet, Dominique and Gadgil, Jayant and Podhajecka, K. and Badiger, Manohar V. and Brulet, A. and Wadgaonkar, P. P.} } @article { ISI:000230506000008, title = {Thidiazuron-induced morphogenesis in tamarind seedlings}, journal = {In Vitro Cellular \& Developmental Biology-Plant}, volume = {41}, number = {3}, year = {2005}, month = {MAY}, pages = {240-243}, publisher = {SPRINGER}, type = {Article}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Germination of tamarind seeds in medium containing thidiazuron (TDZ) resulted in induction of nodular protrusions in and around the cotyledonary node meristem. The structures developed radially in well-defined circles and subsequently spread towards the cotyledonary bridge and also in the proximal part of the hypocotyl. The structures developed into shoots on transfer to medium devoid of growth regulators. Histological studies revealed that the protrusions initiated from the nodal meristem and extended to the non-meristematic region between the two meristems and also in the proximal part of the hypocotyl in seedlings germinated in 9.08 mu M TDZ. Newly formed cell layers and less-differentiated meristematic protrusions were also seen. With the increase in the distance from the meristem, the buds were less differentiated; in the proximal part of the hypocotyl only the multiple layers of meristematic cells were noted. With extension of the period of incubation, the TDZ-induced meristematic activity extended laterally in circles towards the neighboring region. The radial spread of the meristematic activity from the center of the nodal meristem was also evident at 18.16 mu M TDZ. From the pattern of the morphogenic development and the histological studies it may be hypothesized that in tamarind, TDZ influences the existing meristems specifically. Subsequently de novo organogenesis is triggered in the neighboring cells.

}, keywords = {Caulogenesis, Histology, morphogenesis, protrusions, thidiazuron}, issn = {1054-5476}, doi = {10.1079/IVP2004611}, author = {Mehta, Urmil J. and Sahasrabudhe, N. and Hazra, Sulekha} } @article { ISI:000232196200008, title = {TiO2 ceramic varistor modified with tantalum and barium}, journal = {Materials Science and Engineering B-Solid State Materials for Advanced Technology}, volume = {123}, number = {1}, year = {2005}, month = {NOV}, pages = {50-52}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

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

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

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

}, keywords = {cyclic voltammetry of titanosilicates, EPR-spin trap experiments, Molecular sieves, oxidations, product selectivity, reactive oxygen species, titaniunz-oxo radicals, Titanosilicates}, issn = {0942-9352}, doi = {10.1524/zpch.219.7.905.67088}, author = {Shetti, VN and Srinivas, D and Ratnasamy, P} } @article { ISI:000230753500025, title = {Titanium superoxide catalyzed selective oxidation of phenols to p-quinones with aq. H2O2}, journal = {Indian Journal of Chemistry Section B-Organic Chemistry Including Medicinal Chemistry}, volume = {44}, number = {7}, year = {2005}, month = {JUL}, pages = {1530-1532}, publisher = {COUNCIL SCIENTIFIC \& INDUSTRIAL RES}, type = {Article}, address = {ANUSANDHAN BHAWAN, 2 RAFI MARG, NEW DELHI, 110001, INDIA}, abstract = {

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

}, issn = {0376-4699}, author = {Dewkar, Gajanan and Shaikh, T. M. and Pardhy, S. and Kulkarni, S. S. and Sudalai, A.} } @article { ISI:000228983300063, title = {Total synthesis of microcarpalide}, journal = {Journal of Organic Chemistry}, volume = {70}, number = {10}, year = {2005}, month = {MAY}, pages = {4207-4210}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

An efficient, convergent approach for the total synthesis of microcarpalide (1) is described. The synthetic strategy features the Sharpless asymmetric dihydroxylation, regioselective epoxide opening with various nucleophiles such as a lithium acetylide and cuprates derived from the vinyl stannane and the vinyl iodide for the construction of a C7-C8 trans-double bond and Yamaguchi macrolactonization as the key steps.

}, issn = {0022-3263}, doi = {10.1021/jo050193e}, author = {Kumar, P and Naidu, SV} } @article { ISI:000231183000055, title = {Trans-5-Aminopipecolyl-aegPNA chimera: design, synthesis, and study of binding preferences with DNA/RNA in duplex/triplex mode}, journal = {Journal of Organic Chemistry}, volume = {70}, number = {17}, year = {2005}, month = {AUG}, pages = {6956-6959}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

[GRAPHICS] The design and synthesis of novel chiral PNA monomer based on traps-5-aminopipecolic acid is reported. The trans diequatorial disposition of the 1,4 ring substituents in six-membered 5-aminopipecolic acid derivative could be favorable over trans 1,3 axial-equatorial disposition in 4-amino-pipecolic acid of PNA. Studies on the synthesis of traps-4/ 5-aminopipecolyl PNA-eagPNA chimeras and their binding preferences to DNA/RNA in duplex/triplex modes are described.

}, issn = {0022-3263}, doi = {10.1021/jo0506884}, author = {Lonkar, P. S. and Kumar, V. A.} } @article { ISI:000229066500020, title = {Transesterification of diethyl oxalate with phenol using MoO3/SiO2 catalyst}, journal = {Applied Catalysis A-General}, volume = {285}, number = {1-2}, year = {2005}, month = {MAY}, pages = {190-195}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {diethyl oxalate, diphenyl oxalate, MoO3/SiO2, sol-gel technique, transesterification}, issn = {0926-860X}, doi = {10.1016/j.apcata.2005.02.028}, author = {Biradar, Ankush V. and Shubhangi B. Umbarkar and Dongare, Mohan K.} } @article { ISI:000232857900012, title = {Transmetalation reaction between hydrophobic silver nanoparticles and aqueous chloroaurate ions at the air - Water interface}, journal = {Journal of Physical Chemistry B}, volume = {109}, number = {42}, year = {2005}, month = {OCT}, pages = {19620-19626}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The transmetalation reaction between a sacrificial nanoparticle and more noble metal ions in solution has emerged as a novel method for creating unique hollow and bimetallic nanostructures. In this report, we investigate the possibility of carrying out the transmetalation reaction between hydrophobic silver nanoparticles assembled and constrained at the air-water interface and subphase gold ions. We observe that facile reduction of the subphase gold ions by the sacrificial silver nanoparticles occurs resulting in the formation of elongated gold nanostructures that appear to cross-link the sacrificial silver particles. This transmetalation reaction may be modulated by the insertion of an electrostatic barrier in the form of an ionizable lipid monolayer between the silver nanoparticles and the aqueous gold ions that impacts the gold nanoparticle assembly. Transmetalation reactions between nanoparticles constrained into a close-packed structure and appropriate metal ions could lead to a new strategy for metallic cross-linking of nanoparticles and generation of coatings with promising optoelectonic behavior.

}, issn = {1520-6106}, doi = {10.1021/jp0530552}, author = {Pasricha, R and Swami, A and Sastry, M} } @article { ISI:000231367700009, title = {Transparent chiral polymers for optical applications}, journal = {Journal of Applied Polymer Science}, volume = {98}, number = {1}, year = {2005}, month = {OCT}, pages = {58-65}, publisher = {WILEY-BLACKWELL}, type = {Article}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {

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

}, keywords = {chiral, cholesteryl methacrylate, optically active, plastic optical fiber, poly(cholesteryl methacrylate), poly(cholesteryl methacrylate-co-methyl methacrylate)}, issn = {0021-8995}, doi = {10.1002/app.21983}, author = {Pujari, N. S. and Kulkarni, M. R. and Large, M. C. J. and Bassett, I. M. and Ponrathnam, S.} } @article { ISI:000239884300028, title = {Theoretical study of N2O reduction by CO in Fe-BEA zeolite}, journal = {Chemphyschem}, volume = {7}, number = {8}, year = {2006}, month = {AUG}, pages = {1795-1801}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {

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

}, keywords = {Density functional calculations, iron, nitrogen oxides, reaction mechanisms, zeolites}, issn = {1439-4235}, doi = {10.1002/cphc.200600228}, author = {Fischer, Gerd and Goursot, Annick and Coq, Bernard and Delahay, Gerard and Pal, Sourav} } @article { ISI:000240012600023, title = {Thermally assisted semiconductor-like to insulator transition in gold-poly(methyl methacrylate) nanocomposites}, journal = {Nanotechnology}, volume = {17}, number = {16}, year = {2006}, month = {AUG}, pages = {Article No. 4129-4134}, publisher = {IOP PUBLISHING LTD}, type = {Article}, address = {DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND}, abstract = {

Gold-polymethylmethacrylate ( PMMA) nanocomposites were fabricated by mixing gold nanoparticles capped with oleylamine in polymethylmethacrylate. The samples were analysed using UV-vis absorption spectroscopy, transmission electron microscopy, small angle x-ray scattering, Fourier transform infrared spectrometry ( FTIR) and x-ray photoelectron spectroscopy ( XPS). Electrical resistivity of nanocomposite samples was measured by a four-probe technique in the 70-300 K range. The nanocomposites showed a transition with an onset at similar to 160-165 K. They exhibited a semiconductor-like conductivity at higher temperatures and nearly temperature independent conductivity at lower temperatures. The interfacial interaction of Au nanoparticles and PMMA polymer is investigated using FTIR and XPS. A ligand-exchange process occurs when capped gold nanoparticles are incorporated in PMMA polymer.

}, issn = {0957-4484}, doi = {10.1088/0957-4484/17/16/023}, author = {Abyaneh, Majid Kazemian and Pasricha, Renu and Gosavi, S. W. and Kulkarni, S. K.} } @article { ISI:000236150300039, title = {Thermotropic behavior of lithocholic acid derivative linked hydroxyethyl cellulose}, journal = {Journal of Applied Polymer Science}, volume = {100}, number = {3}, year = {2006}, month = {MAY}, pages = {1995-2001}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

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

}, keywords = {hydroxyethyl cellulose, lithocholic acid, thermotropic}, issn = {0021-8995}, doi = {10.1002/app.22285}, author = {Shaikh, V. A. E. and Maldar, Noormahamad N. and Lonikar, Shrikant Vitthal and Rajan, C. R. and Ponrathnam, S.} } @article { ISI:000240786300012, title = {Total synthesis of (-)-radicamine B}, journal = {Tetrahedron Letters}, volume = {47}, number = {39}, year = {2006}, month = {SEP}, pages = {6979-6981}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {codonopsinine, Cyclic nitrone, Grignard addition, polyhydroxy pyrrolidine alkaloids, radicamine B}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2006.07.120}, author = {Gurjar, Mukund K. and Borhade, Ramdas G. and Puranik, Vedavati G. and Ramana, C. V.} } @article { ISI:000237651600037, title = {Towards the total synthesis of clavosolide A}, journal = {Tetrahedron Letters}, volume = {47}, number = {22}, year = {2006}, month = {MAY}, pages = {3781-3783}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The synthesis of the monomeric unit of clavosolide A from 1,2:5,6-di-O-isopropylidene-alpha-D-glucose is presented. (c) 2006 Elsevier Ltd. All rights reserved.

}, keywords = {clavosolide A, diolide, reductive oxirane opening, seco acid, Simmons-Smith cyclopropanation}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2006.03.107}, author = {Yakambram, Pedduri and Puranik, Vedavati G. and Gurjar, Mukund K.} } @article { ISI:000240639000014, title = {Transesterification of cyclic carbonates with methanol at ambient conditions over tungstate-based solid catalysts}, journal = {Applied Catalysis A-General}, volume = {312}, year = {2006}, month = {SEP}, pages = {108-114}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Dimethyl carbonate synthesis with 80 mol\% yield is achieved through transesterification of ethylene carbonate with methanol at ambient conditions (RT and atmospheric pressure) using alkali and alkaline-earth tungstates as solid catalysts. The catalysts are efficient even at the sub-ambient temperatures. Reactions under CO2 pressure indicate that CO2 atmosphere retards the transesterification reaction completely below 100 degrees C. Experimental conditions of 150 degrees C and 3.4 MPa CO2 pressure are required to obtain maximum DMC yield of 71 mol\%. Synthesis of DMC by one-pot synthesis using epoxide, CO2 and methanol is not as effective as that by two-step method with the present catalyst system. Raman and IR spectra of methanol-interacting tungstates indicate the formation of a methoxide ion species adsorbed at the catalyst surface as one possible reaction intermediates. (C) 2006 Elsevier B.V. All rights reserved.

}, keywords = {Dimethyl carbonate, ethylene carbonate, heterogeneous catalyst, Raman spectroscopy, sodium tungstate, transesterification}, issn = {0926-860X}, doi = {10.1016/j.apcata.2006.06.034}, author = {Sankar, M. and Nair, C. Madhavan and Murty, K. V. G. K. and Manikandan, Palanichamy} } @article { ISI:000238771400023, title = {Treatment of spentwash using chemically modified bagasse and colour removal studies}, journal = {Bioresource Technology}, volume = {97}, number = {14}, year = {2006}, month = {SEP}, pages = {1752-1755}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

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

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

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

}, issn = {0021-8979}, doi = {10.1063/1.2401648}, author = {Bhame, Shekhar D. and Joy, Pattayil Alias} } @article { ISI:000250647000072, title = {Template-assisted synthesis of ruthenium oxide nanoneedles: electrical and electrochemical properties}, journal = {Journal of Physical Chemistry C}, volume = {111}, number = {44}, year = {2007}, month = {NOV}, pages = {16593-16600}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

}, issn = {1932-7447}, doi = {10.1021/jp0744836}, author = {Subhramannia, Mahima and Balan, Beena K. and Sathe, Bhaskar R. and Mulla, Imtiaz S. and Pillai, Vijayamohanan K.} } @article {Manoj, title = {Tethered Pd-complex on solid support: catalyst for acid-free carbonylation reactions}, journal = {Catalysis Communictions}, volume = {8}, number = {9}, year = {2007}, month = {SEP}, pages = {1386-1392}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

{Palladium complex [

}, keywords = {decomposition, direct H2O2 synthesis, halides, Promoter}, issn = {1566-7367}, doi = {10.1016/j.catcom.2006.11.035}, author = {Sarkar, Bibbas R. and Mukhopadhyay, Kausik and Chaudhari, Raghunath V.} } @article { ISI:000245842600009, title = {Thermal stability of the Mobil Five type metallosilicate molecular sieves - an in situ high, temperature X-ray diffraction study}, journal = {Materials Research Bulletin}, volume = {42}, number = {5}, year = {2007}, month = {MAY}, pages = {851-860}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

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

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

}, doi = {10.1021/ic701537k}, author = {Punji, Benudhar and Mague, Joel T. and Balakrishna, Maravanji S.} } @article { ISI:000248795100038, title = {Titania nanoparticles synthesis in mesoporous molecular sieve MCM-41}, journal = {Journal of Colloid and Interface Science}, volume = {314}, number = {1}, year = {2007}, month = {OCT}, pages = {310-316}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

Nanocrystalline titanium oxide (TiO2) is one of the most useful oxide material, because of its widespread applications in photocatalysis, solar energy conversion, sensors and optoelectronics. The control of particle size and monodispersity of TiO2 nanoparticles is a challenging task. The use of MCM-41, an inorganic template of uniform pore size (2-10 nm), can overcome this difficulty and produce stable nanoparticles of uniform size and shape. Here, we demonstrate the synthesis of titania nanoparticles inside the pores of silica based MCM-41 forming a TiO2/Si-MCM composite. Composites are formed in the alcoholic medium by incipient wetness impregnation method. Titania particles of average 3 nm size are obtained. Effect of silica and titania precursors on the quality of nanoparticles has been investigated. The characterization of titania-MCM-41 composites has been carried out using a variety of techniques like UV-vis absorption spectroscopy, X-ray diffraction, FT-IR spectroscopy, X-ray photoelectron spectroscopy, transmission electron microscopy and photoluminescence spectroscopy. It has been found that the titania particles are co-ordinated with Si-MCM by Si-O-Ti covalent bond. (C) 2007 Elsevier Inc. All rights reserved.

}, keywords = {incipient wetness impregnation, Mesoporous material, template, titania}, issn = {0021-9797}, doi = {10.1016/j.jcis.2007.05.069}, author = {Lihitkar, N. B. and Abyaneh, Majid Kazemian and Samuel, V. and Pasricha, R. and Gosavi, S. W. and Kulkarni, S. K.} } @article {40}, title = {Toluene alkylation with methanol to p-xylene over heteropoly acids supported by clay}, journal = {Journal of Natural Gas Chemistry}, volume = {16}, number = {1}, year = {2007}, month = {MAR}, pages = {42-45}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

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

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

}, keywords = {Alpha-Glucosidase Inhibitors; Asymmetric Dihydroxylation; Adjuvant Activity; Pinellic Acid; Ketones; Reduction; Reagents; Configuration; Imbricatine;Alkaloids}, doi = {10.1021/jo070560h}, author = {Gurjar, Mukund K. and Pramanik, Chinmoy and Bhattasali, Debabrata and Ramana, Chepuri V. and Mohapatra, Debendra K.} } @article { ISI:000250836500003, title = {Total synthesis of (+)-camptothecin via an intramolecular palladium-catalyzed cyclization strategy}, journal = {Synlett}, number = {17}, year = {2007}, month = {OCT}, pages = {2635-2638}, publisher = {GEORG THIEME VERLAG KG}, type = {Article}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

The novel cascade intramolecular Pd-catalyzed cyclization followed by aromatization for the construction Of D ring of (+)-camptothecin as a key step is demonstrated.

}, keywords = {alkaloids, antitumor, cyclizations, Natural products, Palladium}, issn = {0936-5214}, doi = {10.1055/s-2007-991054}, author = {Chavan, Subhash P. and Pathak, Ashok B. and Kalkote, Uttam R.} } @article { ISI:000243703200018, title = {Total synthesis of pachastrissamine (jaspine B) enantiomers from D-glucose}, journal = {Tetrahedron Letters}, volume = {48}, number = {2}, year = {2007}, month = {JAN}, pages = {265-268}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {4-furanose, chiron approach, Ohira-Bestmann reaction, pachastrissamine/jaspine B, pentodialdo-1, ring isomerization}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2006.11.048}, author = {Ramana, C. V. and Giri, Awadut G. and Suryawanshi, Sharad B. and Gonnade, Rajesh G.} } @article { ISI:000247620500052, title = {Total synthesis of pulchellalactam via an RCM strategy}, journal = {Synthetic Communications}, volume = {37}, number = {7-9}, year = {2007}, month = {MAY}, pages = {1503-1510}, publisher = {TAYLOR \& FRANCIS INC}, type = {Article}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {

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

}, keywords = {alkaloid, Natural products, pulchellalactam, RCM, Total synthesis}, issn = {0039-7911}, doi = {10.1080/00397910701229131}, author = {Chavan, Subhash P. and Pathak, Ashok B. and Dhawane, Abasaheb N. and Kalkote, Uttam R.} } @article { ISI:000249308700005, title = {Towards the enantioselective synthesis of anti-HIV agents litseaverticillols C and K from D-glucose}, journal = {Tetrahedron}, volume = {63}, number = {12}, year = {2007}, month = {MAR}, pages = {2613-2621}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The first enantioselective synthesis towards the litseaverticillols C and K has been achieved, from D-glucose, using the ring closing metathesis (RCM) and Wittig reactions as key steps. (c) 2007 Elsevier Ltd. All rights reserved.

}, issn = {0040-4020}, doi = {10.1016/j.tet.2007.01.037}, author = {Mohapatra, Debendra K. and Mondal, Dhananjoy and Guriar, Mukund K.} } @article { ISI:000249949800021, title = {Transesterification of alpha-haloesters and beta-ketoesters over Mg-Al-hydrotalcites (HT)-like anionic clays}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {276}, number = {1-2}, year = {2007}, month = {OCT}, pages = {158-161}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {alpha-haloesters, beta-ketoesters, heterogeneous catalyst, Hydrotalcites, transesterification}, issn = {1381-1169}, doi = {10.1016/j.molcata.2007.07.006}, author = {Bulbule, Vivek J. and Borate, Hanumant B. and Munot, Yogesh S. and Deshpande, Vishnu H. and Sawargave, Sangmeshwer P. and Gaikwad, Abaji G.} } @article { ISI:000249567000008, title = {Transport study on as-grown and cast films of electrogenerated poly(3-hexylthiophene)}, journal = {Materials Letter}, volume = {61}, number = {25}, year = {2007}, month = {OCT}, pages = {4687-4689}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {mobility, poly(3-hexylthiophene), swelling, thin film, transport mechanism}, issn = {0167-577X}, doi = {10.1016/j.matlet.2007.03.010}, author = {Jiang, Xiaoqing and Harima, Yutaka and Patil, Rahul} } @article { ISI:000245519000057, title = {Tryptophan residue is identified in the substrate binding of penicillin G acylase from Kluyvera citrophila}, journal = {Enzyme and Microbial Technology}, volume = {40}, number = {5}, year = {2007}, month = {APR}, pages = {1389-1397}, publisher = {ELSEVIER SCIENCE INC}, type = {Article}, address = {360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA}, abstract = {

Penicillin acylases are important enzymes in pharmaceutical industry for the production of semi-synthetic beta-lactam antibiotics via the key intermediate 6-aminopenicillanic acid. The penicillin G acylase purified from Kluyvera citrophila (KcPGA) on modification with tryptophan-specific reagents such as N-bromo succinamide (NBS) and 2-hydroxy 5-nitrobenzylbromide (HNBB) showed partial loss of activity and substrate protection. Various solute quenchers and substrate were used to probe the microenvironment of the putative reactive tryptophan through fluorescence quenching. Homology modeling of KcPGA structure has been carried out. Docking substrate on this modeled KcPGA structure identifies the tryptophan residue that is directly influenced by substrate binding. To confirm the biological significance of this particular tryptophan, we did a sequence comparison of PGAs from various organisms. The sequence alignment clustered the matches into two sets, those closer to (\> 40\% identical) KcPGA and had the tryptophan of interest present in them formed the first set, while those less identical (\< 30\%) to KcPGA and the particular tryptophan absent in them formed the second set. It is clear from the reported kinetic parameters of representative members of these two sets that the affinity for penicillin G (penG) of the former class is several times better. Thus, based on our studies we suggest that the tryptophan residue in the identified position is important for binding substrate penG by the acylases. (c) 2006 Elsevier Inc. All rights reserved.

}, keywords = {fluorescence measurement, K. citrophila, Penicillin G acylase, sequence alignment, substrate-docking, tryptophan modification}, issn = {0141-0229}, doi = {10.1016/j.enzmictec.2006.10.022}, author = {Kumar, R. Suresh and Prabhune, Asmita and Pundle, A. V. and Karthikeyan, Muthukumarasamy and Suresh, C. G.} } @conference { ISI:000291657600173, title = {Tungstophosphoric acid and zirconia supported on mesoporous silica catalyst in veratrole acetylation}, booktitle = {From ZEOLITES to Porous Mof Materials: The 40th Anniversary of International ZEOLITE Conference, Proceedings of The 15th International ZEOLITE Conference}, series = {Studies in Surface Science and Catalysis}, volume = {170}, year = {2007}, note = {15th International Zeolite Conference, Beijing, PEOPLES R CHINA, AUG 12-17, 2007}, month = {AUG}, pages = {1325-1330}, publisher = {Elsevier Science BV}, organization = {Elsevier Science BV}, address = {Sara Burgerhartstraat 25, Po Box 211, 1000 AE Amsterdam, Netherlands}, abstract = {

Tungstophosphoric acid (TPA) over zirconia dispersed uniformly in mesoporous silica (MS) channels of MCM-41 and MCM-48 was synthesised and tested for its catalytic activity in veratrole acetylation. Catalysts with different TPA loadings (5 to 50 wt.\%) on 22.4 wt.\% ZrO(2)/MCM-41 and 15 wt.\% TPA on different zirconia loadings (10-70 wt.\%)/MCM-41 were prepared and calcined at 1123 K. Catalysts were characterised by known techniques. Mesoporous silica supports play an important role in stabilising catalytically active TPA along with tetragonal phase of zirconia. Among the catalysts, 15 wt.\% TPA/22.4 wt.\% ZrO(2)/MCM-41 calcined at 1123 K was found to have the highest acidity and be at least four times more active than neat 15 wt.\% TPA/ZrO(2) in veratrole acetylation to acetoveratrone by acetic anhydride.

}, isbn = {978-0-444-53068-4}, issn = {0167-2991}, author = {Halligudi, Shivaraj B.}, editor = {Xu, R. and Gao, Z. and Chen, J. and Yan, W.} } @article { ISI:000245961800012, title = {Tungstophosphoric acid supported on titania: a solid acid catalyst in benzylation of phenol with benzylalcohol}, journal = {Catalysis Communictions}, volume = {8}, number = {5}, year = {2007}, month = {MAY}, pages = {800-806}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

{Benzylation of phenol with benzylalcohol was carried out in liquid phase over tungstophosphoric acid (TPA) supported on titania. The catalysts were prepared with different TPA (10-25\%) loading by wet impregnation method, were calcined at 700 degrees C and characterized by XRD, surface area, FTIR and acidity of the catalysts was measured by temperature programmed desorption of NH(3)-TPD, FTIR pyridine adsorption. The catalysts have been represented by a general formula as xPTiO(2)-Y (where x = wt\%

}, keywords = {benzyl ether, benzyl phenol, benzylalcohol, Heteropolyacid, phenyl benzyl ether, titania, tungstophosphoric acid}, issn = {1566-7367}, doi = {10.1016/j.catcom.2006.08.027}, author = {Kumbar, Suresh M. and Halligudi, Shivaraj B.} } @article { ISI:000244183400015, title = {Tungstophosphoric acid supported over zirconia in mesoporous channels of MCM-41 as catalyst in veratrole acetylation}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {262}, number = {1-2}, year = {2007}, month = {FEB}, pages = {98-108}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Tungstophosphoric acid (TPA) over zirconia dispersed uniformly in mesoporous silica (MS) channels of MCM-41 and MCM-48 were synthesized and tested for their catalytic activity in veratrole acetylation. Catalysts with different TPA loadings (5-50 wt.\%) on 22.4 wt.\%ZrO2/MCM-41 and 15 wt.\%TPA on different zirconia loadings (10-70 wt.\%)/MCM-41 were prepared and calcined at 1123 K. The physico-chemical characterization of the supported catalysts was done by powder X-ray diffraction (XRD), surface area measurement (BET), scanning electron microscopy (SEM), transmission electron microscopy (TEM), Fourier transformed-infrared (FT-IR) spectroscopy, UV-vis diffuse reflectance spectra, Temperature programmed desorption (TPD) of ammonia, FT-IR pyridine adsorption and (31) P cross polarization-magic angle spinning (CP-MAS) NMR spectroscopy. The mesoporous silica supports play an important role in stabilizing catalytically active TPA along with tetragonal phase of zirconia. Among the catalysts, 15 wt.\%TPA/22.4 wt.\%ZrO2/MCM-41 calcined at 1123 K was found to have highest acidity and at least four times more active than neat 15 wt.\%TPA/ZrO2 in veratrole acetylation to acetoveratrone by acetic anhydride. Reaction conditions were evaluated with 15 wt.\%TPA/22.4 wt:\%ZrO2/MCM-41 calcined at 1123 K to get higher conversion of acetic anhydride to acetoveratrone. The reaction was found to be heterogeneously catalyzed and no contribution from homogeneous (leached) TPA into the medium under the reaction conditions. (c) 2006 Elsevier B.V. All rights reserved.

}, keywords = {acetoveratrone, acetylation, MCM-41, TPA/ZrO2, veratrole}, issn = {1381-1169}, doi = {10.1016/j.molcata.2006.08.027}, author = {Sawant, Dhanashri P. and Vinu, A. and Lefebvre, F. and Halligudi, Shivaraj B.} } @article { ISI:000244470700016, title = {Two new eudesmanolides from sphaeranthus indicus (Linn)}, journal = {Indian Journal of Chemistry Section B-Organic Chemistry Including Medicinal Chemistry}, volume = {46}, number = {2}, year = {2007}, month = {FEB}, pages = {379-381}, publisher = {NATL INST SCIENCE COMMUNICATION}, type = {Article}, address = {DR K S KRISHNAN MARG, NEW DELHI 110 012, INDIA}, abstract = {

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

}, keywords = {eudesmanolides, olide, Sphaeranthus indicus}, issn = {0376-4699}, author = {Jadhav, Ravindra B. and Sonawane, Kiran B. and Deshpande, Nirmala R. and Rojatkar, Supada R.} } @article { ISI:000261466800007, title = {Tandem aza-michael-condensation-aldol cyclization reaction: approach to the construction of DE synthon of (+/-)-camptothecin}, journal = {Synlett}, number = {18}, year = {2008}, month = {NOV}, pages = {2781-2784}, publisher = {GEORG THIEME VERLAG KG}, type = {Article}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

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

}, keywords = {Aldol cyclizations, alkaloids, antitumor, Natural products, Reformatsky reaction}, issn = {0936-5214}, doi = {10.1055/s-0028-1083539}, author = {Chavan, Subhash P. and Dhawane, Abasaheb N. and Kalkote, Uttam R.} } @article { ISI:000256597700001, title = {Tandem non-polymerizing strategy to higher order acrylamide oligomers; potential intermediates for conformational correlations of poly-N-acrylamides}, journal = {New Journal of Chemistry}, volume = {32}, number = {6}, year = {2008}, month = {FEB}, pages = {909-912}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

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

}, issn = {1144-0546}, doi = {10.1039/b802471e}, author = {Kendhale, Amol M. and Rajamohanan, Pattuparampil R. and Sanjayan, Gangadhar J.} } @article { ISI:000254851800003, title = {Tandem synthesis of beta-amino alcohols from aniline, dialkyl carbonate, and ethylene glycol}, journal = {Industrial \& Engineering Chemistry Research}, volume = {47}, number = {8}, year = {2008}, month = {APR}, pages = {2484-2494}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

An efficient tandem route for selective synthesis of beta-amino alcohols from anilines, dialkyl carbonate and ethylene glycol in the presence of recyclable Na-Y zeolite has been demonstrated. Transesterification of dialkyl carbonate by ethylene glycol produce ethylene carbonate which further reacts with aniline to give beta-amino alcohols in a single step. This reaction system was studied under high-pressure as well as pot reaction condition. Various process parametric effects were investigated for the reaction of aniline, dialkyl carbonate, and ethylene glycol. It was observed that a maximum 51\% yield of mono-beta-amino alcohol, i.e., N-phenylethanolamine (NPEA). is obtained under pressure conditions. The yield of NPEA was improved drastically (\>91\%) by carrying out the reaction under pot conditions using diethyl carbonate as transesterification agent. Finally activity and selectivity of solid catalyst was explained on the basis of nature of active sites and pore structure of the catalyst.

}, issn = {0888-5885}, doi = {10.1021/ie070617q}, author = {Shivarkar, Anandkumar B. and Gupte, Sunil P. and Chaudhari, Raghunath V.} } @article { ISI:000259829900004, title = {T-antigen binding lectin with antibacterial activity from marine invertebrate, sea cucumber (Holothuria scabra): possible involvement in differential recognition of bacteria}, journal = {Journal of Invertebrate Pathology}, volume = {99}, number = {2}, year = {2008}, month = {OCT}, pages = {141-145}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

In invertebrates, cellular and humoral components are evolved to maintain their body immunity and integrity. Both these factors respond to different antigens such as microorganisms, vertebrate erythrocytes and foreign proteins. In this article, we report a study of a lectin (HSL) involved in immune response in the echinoderm, sea Cucumber (Holothuria scabra). Correlative studies indicate that the expression of this defensive lectin is induced by bacterial challenge, wherein cell wall glycoconjugates of bacteria are involved in lectin induction. HSL showed strong broad spectrum antibacterial activity against both gram-positive and gram-negative bacteria. Under in vitro conditions, purified HSL mediate agglutination of the test bacteria, there by indicating a possible mode of action in physiological situation. (c) 2008 Elsevier Inc. All rights reserved.

}, keywords = {agglutination, antibacterial activity, coelomic fluid, Holothuria scabra, Lectin, sea cucumber}, issn = {0022-2011}, doi = {10.1016/j.jip.2008.04.003}, author = {Gowda, Nagaraj M. and Goswami, Usha and Khan, Mohammad Islam} } @article { ISI:000260807500005, title = {Taxol and 10-deacetylbaccatinIII induce distinct changes in the dynamics of caveolae}, journal = {FEBS Letters}, volume = {582}, number = {25-26}, year = {2008}, month = {OCT}, pages = {3595-3600}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {10-DeacetylbaccatinIII, BaccatinIII, Caveolae, Cytotoxicity, Kiss and run dynamic, Taxol, TIRFM}, issn = {0014-5793}, doi = {10.1016/j.febslet.2008.09.029}, author = {Ahmed, Neesar and Dasari, Sreekanth and Srivastava, Saumya S. and Sneh, Amita and Ahmad, Absar and Khan, Mohammad Islam and Krishnasastry, M. V.} } @article { ISI:000255342500023, title = {Temperature dependent structural studies and magnetic properties of BaCa2Fe16O27 hexaferrites prepared by stearic acid gel route in presence of SDS surfactant}, journal = {Synthesis and Reactivity in Inorganic Metal-Organic and Nano-Metal Chemistry}, volume = {38}, number = {2}, year = {2008}, note = {Symposium on New Routes to Inorganic Materials, Films and Nanocrystals held at ICMAT 2007, Singapore, SINGAPORE, JUL 01-06, 2007}, month = {MAR}, pages = {225-228}, publisher = {TAYLOR \& FRANCIS INC}, type = {Article, Proceedings Paper}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {

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

}, keywords = {BaCa2Fe16O27, magnetic properties, stearic acid gel method}, issn = {1553-3174}, doi = {10.1080/15533170801926549}, author = {Joyania, R. B. and Khomane, Ramdas B. and Chauhan, C. C. and Kulkarni, B. D.} } @article { ISI:000259922200004, title = {Tetranuclear manganese (III) salicylaldoxime ensemble}, journal = {Structural Chemistry }, volume = {19}, number = {5}, year = {2008}, month = {OCT}, pages = {735-740}, type = {Article}, abstract = {Crystal structure of {[Mn(salicylaldoximeH)(salicylaldoxime)](4)} center dot 3CHCl(3) 1 formed by the interaction of MnCl2 center dot 4H(2)O and salicylaldoxime in a 1:1 ratio is described. The compound crystallizes in the orthorhombic space group Pbca (No 61) with the lattice parameters; a = 27.769 (3), b = 22.672 (2), c = 21.650 (2) angstrom, V = 13630 (2) angstrom(3), Z = 8, R-1 = 0.0776, wR(2) = 0.2356, S = 1.164. The cluster with four Mn (III) centers formed by four terminal and four bridging salicylaldoxime ligands results in a central rotating wheel-like core with the Mn-Mn separation varying from 3.531 to 3.576 angstrom and with the diagonal distances being 4.156-4.165 angstrom. Four intramolecular H-bonds between a terminal oxime (NOH) group and the adjacent phenolate oxygen atom of another ligand stabilize the structure of the cluster. Spectral, magnetic, and cyclic voltammetry studies corroborate a stable Mn (III) tetramer.}, author = {Kumbhar, Avinash S. and Mulay, Mahesh P. and Padhye, Subhash B. and Tavale, Sudam S. and Puranik, Vedavati G.} } @article { ISI:000260210000002, title = {Thallium(III) p-tosylate mediated oxidative 2,3-aryl rearrangement: a new useful route to ipriflavone and its analogs}, journal = {Synthetic Communications}, volume = {38}, number = {22}, year = {2008}, month = {MAR}, pages = {3875-3883}, publisher = {TAYLOR \& FRANCIS INC}, type = {Article}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {

A new route for the synthesis of ipriflavone, an antiosteoporotic agent, is described that has four steps and 60\% yields starting from resacetophenone (2). The key step of the present methodology is thallium(III) p-tosylate mediated oxidative 2,3-aryl rearrangement of flavanone to generate the isoflavone ring system of ipriflavone in a highly efficient manner.

}, keywords = {Flavanones, ipriflavone, isoflavones, oxidative rearrangement, thallium(III) p-tosylate}, issn = {0039-7911}, doi = {10.1080/00397910802238734}, author = {Muthukrishnan, Murugan and Singh, Om V.} } @article { ISI:000255313300010, title = {Thermal and mechanical properties of melt processed intercalated poly(methyl methacrylate)-organoclay nanocomposites over a wide range of filler loading}, journal = {Polymer International}, volume = {57}, number = {5}, year = {2008}, month = {MAY}, pages = {738-743}, publisher = {JOHN WILEY \& SONS LTD}, type = {Article}, address = {THE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W SUSSEX, ENGLAND}, abstract = {

BACKGROUND: Poly(methyl methacrylate) (PMMA)-organoclay nanocomposites with octadecylammonium, ion-modified montmorillonite, prepared via melt processing, over a wide range of filler loading (2-16 wt\%) were investigated in detail. These hybrids were characterized for their dispersion structure, and thermal and mechanical properties, such as tensile modulus (E). break stress (sigma(brk)), percent break strain (epsilon(brk)) and ductility(J), using wide-angle X-ray diffraction, transmission electron microscopy, differential scanning calorimetry (DSC), thermogravimetric analysis (TGA) and tensile and impact tests. RESULTS: Intercalated nanocomposites were formed even in the presence of 16 wt\% clay (high loading) in PMMA matrix. PMMA intercalated into the galleries of the organically modified clay, with a change in d-spacing in the range 11-16 angstrom. TGA results showed improved thermal stability of the nanocomposites. The glass transition temperature (T-g) of the nanocomposites, from DSC measurements, was 2-3 degrees C higher than that of PMMA. The ultimate tensile strength and impact strength decreased with increasing clay fraction. Tensile modulus for the nanocomposites increased by a significant amount (113\%) at the highest level of clay fraction (16 wt\%) studied. CONCLUSION: We show for the first time the formation of intercalated PMMA nanocomposites with alkylammonium-modified clays at high clay loadings (\> 15wt\%). Tensile modulus increases linearly with clay fraction, and the enhancement in modulus is significant. A linear correlation between tensile strength and strainat-break is shown. Thermal properties are not affected appreciably. Organoclay can be dispersed well even at high clay fractions to form nanocomposites with superior bulk properties of practical interest. (c) 2007 Society of Chemical Industry.

}, keywords = {impact strength, mechanical properties, Nanocomposites, PMMA, Thermal properties}, issn = {0959-8103}, doi = {10.1002/pi.2402}, author = {Tiwari, Rajkiran R. and Natarajan, Upendra} } @article { ISI:000258432100026, title = {Thermal stability of mesoporous SBA-15 and Sn-SBA-15 molecular sieves: an in situ HTXRD study}, journal = {Microporous and Mesoporous Materials}, volume = {114}, number = {1-3}, year = {2008}, month = {SEP}, pages = {270-280}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {HTXRD studies, phase transitions, Sn-SBA-15, TG data, Thermal expansion}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2008.01.013}, author = {Shah, Pallavi and Ramaswamy, Veda} } @article { ISI:000257016800018, title = {Titania supported silicotungstic acid: an efficient solid acid catalyst for veratrole acylation}, journal = {Catalysis Communications}, volume = {9}, number = {10}, year = {2008}, month = {JUN}, pages = {2026-2029}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Titania supported silicotungstic acid (STA) with different STA loading (10-25 wt\%) and calcination temperature (650-750 degrees C) were prepared by wet impregnation method. The catalysts have been represented by a general formula xSTiO(2)y (where x denotes wt\%, S denotes STA and y denotes calcination temperature in degrees C). These catalysts were characterized by techniques such as X-ray diffraction, surface analysis, FTIR-pyridine and TPD-NH(3) and were used as heterogeneous solid acid catalysts in the liquid phase acylation of veratrole with acetic anhydride (Ac(2)O). It was found that 20STiO(2)700 gave the highest activity in acylation reaction due to its highest acidity. (C) 2008 Elsevier B.V. All rights reserved.

}, keywords = {acetic anhydride, Acylation, Silicotungstic acid, titania, veratrole}, issn = {1566-7367}, doi = {10.1016/j.catcom.2008.03.043}, author = {Waghmare, Nilesh G. and Kasinathan, Palraj and Amrute, Amol P. and Lucas, Nishita and Halligudi, Shivaraj B.} } @article { ISI:000255698500020, title = {Total synthesis and determination of relative and absolute configuration of multiplolide A}, journal = {Journal of Organic Chemistry}, volume = {73}, number = {10}, year = {2008}, month = {MAY}, pages = {3817-3822}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

}, issn = {0022-3263}, doi = {10.1021/jo7027568}, author = {Ramana, C. V. and Khaladkar, Tushar P. and Chatterjee, Soumitra and Gurjar, Mukund K.} } @article { ISI:000260843700019, title = {Total synthesis of (+)-isolaurepan}, journal = {Tetrahedron Letters}, volume = {49}, number = {49}, year = {2008}, month = {DEC}, pages = {7012-7014}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A versatile and efficient method for the enantioselective synthesis of 2,7-cis-disubstituted oxepane 1c, (+)-isolaurepan, using oxidative resolution of a secondary alcohol and highly diastereoselective Et(3)SiH/TMSOTf-promoted reductive cyclization of a hydroxy ketone is described. (C) 2008 Elsevier Ltd. All rights reserved.

}, keywords = {Cis-selective cyclization, Cyclic ethers, Isolaurepan, Oxepanes, Oxidative resolution of secondary alcohols}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2008.09.134}, author = {Tripathi, Divya and Kumar, Pradeep} } @article { ISI:000258030400010, title = {Total synthesis of (S)-(-)-curvularin: a ring-closing-metathesis-based construction of the macrocyclic framework}, journal = {Synlett}, number = {12}, year = {2008}, month = {JUL}, pages = {1801-1804}, publisher = {GEORG THIEME VERLAG KG}, type = {Article}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

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

}, keywords = {curvularin, Cytotoxic, Pinnick oxidation, Ring-closing metathesis, Wittig reaction}, issn = {0936-5214}, doi = {10.1055/s-2008-1078504}, author = {Mohapatra, Debendra K. and Rahaman, Hasibur and Pal, Rita and Gurjar, Mukund K.} } @article { ISI:000260119300077, title = {Transverse susceptibility study of the effect of varying dipolar interactions on anisotropy peaks in a three-dimensional assembly of soft ferrite nanoparticles}, journal = {Journal of Applied Physics}, volume = {104}, number = {6}, year = {2008}, month = {SEP}, pages = {Article No. 063901}, publisher = {AMER INST PHYSICS}, type = {Article}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {

Collective magnetization dynamics in nanoparticle assemblies is of current interest as it forms the basis of high density storage media. It is important to understand how interparticle interactions in a three-dimensional (3D) arrangement of superparamagnetic nanoparticles would affect the overall effective magnetic anisotropy of the system. We have studied the influence of varying strengths of dipolar interaction on the static and dynamic magnetic properties of surfactant-coated monodispersed manganese zinc ferrite nanoparticles using reversible transverse susceptibility. We track the evolution of the anisotropy peaks with varying magnetic field, temperature, and interaction strength. The blocking temperature shows an increase from 28 to 32 K and the coercive field (at 10 K) shows an increase from 144 to 192 Oe as the system changes from the case of weakly interacting to strongly interacting 3D assembly of the particles. (C) 2008 American Institute of Physics. [DOI: 10.1063/1.2977592]

}, issn = {0021-8979}, doi = {10.1063/1.2977592}, author = {Poddar, Pankaj and Morales, Marienette B. and Frey, Natalie A. and Morrison, Shannon A. and Carpenter, Everett E. and Srikanth, Hariharan} } @article { ISI:000261232200039, title = {Tunable surface modification of silica nanoparticles through {\textquoteleft}click{\textquoteright} chemistry}, journal = {Current Science}, volume = {95}, number = {9}, year = {2008}, month = {NOV}, pages = {1327-1333}, publisher = {INDIAN ACAD SCIENCES}, type = {Article}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

Tuning the surface functionality of silica nanoparticles through a {\textquoteleft}click{\textquoteright} chemistry-based protocol is demonstrated. Pyrene, a fluorophore that displays excimer emission specifically at higher density/concentration is chosen for highlighting the fidelity of surface functionalization. The UV-visible absorbance of the pyrene chromophore capping the nanoparticle is used to determine the amount of pyrene units present on the surface of a silica nanoparticle.

}, keywords = {pyrene, silica nanoparticles, surface functionality, {\textquoteleft}Click{\textquoteright} chemistry}, issn = {0011-3891}, author = {Chandran, S. Prathap and Hotha, Srinivas and Bhagavatula L. V. Prasad} } @article { ISI:000252482800031, title = {Tuning the hydrophobic properties of silica particles by surface silanization using mixed self-assembled monolayers}, journal = {Journal of Colloid and Interface Science}, volume = {318}, number = {2}, year = {2008}, month = {FEB}, pages = {372-379}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

Here we describe a novel method of preparing hydrophobic silica particles (100-150 nm; water contact angle of dropcasted film ranging from 60 degrees to 168 degrees) by surface functionalization using different alkyltrichlorosilanes. During their preparation, the molecular surface roughness is also concurrently engineered facilitating a change in both the surface chemical composition and the geometrical microstructure to generate hierarchical structures. The water contact angle has been measured on drop-cast film surface. The enhancement in the water contact angle on 3D (curved) SAMs in comparison to that on 2D (planar) surface is discussed using the Cassie-Baxter equation. These silica particles can be utilized for many potential applications including selective adsorbents and catalysts, chromatographic supports and separators in microfluidic devices. (C) 2007 Elsevier Inc. All rights reserved.

}, keywords = {alkyltrichlorosilane, silanization, silica particles, superhydrophobicity}, issn = {0021-9797}, doi = {10.1016/j.jcis.2007.11.012}, author = {Kulkami, Sneha A. and Ogale, Satishchandra B. and Vijayamohanan, Kunjukrishanan P.} } @article { ISI:000256058000039, title = {Tuning the transport properties of Poly(oxyethylene)bisamine - Nafion polyelectrolyte complexes by dielectric manipulation}, journal = {Macromolecules}, volume = {41}, number = {10}, year = {2008}, month = {MAY}, pages = {3653-3658}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Polyelectrolyte complexes (PECs) of Nafion-H+, a perfluorosulfonic acid ionomer, and Poly(oxyethylene)bisamine (Polyox) were synthesized, and the effect of electrostatic interactions on the physicochemical properties of the individual components was studied using a combination of spectroscopic and electrochemical techniques. More specifically, the pristine PECs were extensively characterized using viscosity, surface tension, and pH measurements and diffuse reflectance Fourier transform infrared (DRIFT) spectroscopy and their transport properties were investigated using cyclic voltammetry and electrochemical impedance spectroscopy, by employing [Fe(CN)(6)](3-) as a redox probe. Acid-base interaction between Nafion and Polyox is evident from pH measurements of the blend solutions, which indicate salt formation at a 50:50 composition, supported further by the existence of a maximum in the plot of surface tension versus blend composition. DRIFT spectra of the PEC membranes indicate subtle changes in the ionic environment and a transition from a state of medium hydration to a partially dehydrated state of the parent ionomer, Nation, after complexation with Polyox. Further evidence for polyelectrolyte-polyelectrolyte association is obtained from cyclic voltammetry, which shows that the interaction between the redox active chromophore, [Fe(CN)(6)](3-), and the pendent sulfonate groups of Nafion is minimized by complexation with the oppositely charged polyelectrolyte Polyox. The water-soluble nature of these PECs along with the tunable range of properties with blend composition could qualify them as suitable candidates for developing stimuli-responsive polymer systems for pharmaceutical and environmental applications.

}, issn = {0024-9297}, doi = {10.1021/ma7028677}, author = {Parthasarathy, Meera and Kakade, Bhalchandra A. and Pillai, Vijayamohanan K.} } @article { ISI:000253512400006, title = {Tuning the wetting properties of multiwalled carbon nanotubes by surface functionalization}, journal = {Journal of Physical Chemistry C}, volume = {112}, number = {9}, year = {2008}, month = {MAR}, pages = {3183-3186}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A simple strategy of chemical functionalization is employed here for controlling the wettability of multiwalled carbon nanotube films from superhydorphobic (156 degrees) to nearly hydrophilic (40 degrees), which further shows superhydrophilicity with a water contact angle of about 0 degrees within 2 s. The hydrophobic surface (water contact angle 145 degrees) in case of nitric-acid-treated MWCNT bucky paper shows an unusual pinning action even at a tilt angle of 45 degrees, following Wenzel behavior of the surface. The variation in the wetting properties of MWCNT bucky paper using such surface designing strategies provides controlled heterogeneity on the surface with no or minimal effect on surface roughness.

}, issn = {1932-7447}, doi = {10.1021/jp711657f}, author = {Kakade, Bhalchandra A. and Pillai, Vijayamohanan K.} } @article { ISI:000263073800048, title = {Template free synthesis of mesoporous TiO2 with high wall thickness and nanocrystalline framework}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {9}, number = {1, SI}, year = {2009}, month = {JAN}, pages = {371-377}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USA}, abstract = {

A simple procedure to prepare nanocrystalline mesoporous titania (meso-TiO2) is reported without any templating agent and it possesses a high BET surface area and a large pore wall thickness (11.3 nm) than that of meso-TiO2 prepared by other methods. Nanocrystalline meso-TiO2 also has been synthesized with hexadecylamine template for comparison through known procedure. The meso-TiO2 materials were characterized by X-ray diffraction, FT-IR, UV-Vis absorbance spectra, thermal analysis, SEM, HRTEM and textural properties through N-2 adsorption-desorption isotherms. Spherical shape particles in a range of few hundred nanometers are obtained in the template free method. Above systematic characterization provides direct indications toward the mechanism of formation of meso-TiO2 in the template free method. A comparison of the physical and textural properties indicates a possibility of coarse-tuning of the textural characteristics of mesoporous TiO2 by adopting different preparation methods.

}, keywords = {Mesopore, Mesopore Formation, Template-Free, Thick Wall, titania}, issn = {1533-4880}, doi = {10.1166/jnn.2009.J019}, author = {Kulkarni, Dhanashree G. and Murugan, A. Vadivel and Viswanath, Annamraju Kasi and Gopinath, Chinnakonda S.} } @article { ISI:000267070700082, title = {Tethered aminohydroxylation route to L-arabino-[2R,3S,4R] and L-xylo-[2R,3S,4S]-C-18-phytosphingosines}, journal = {Tetrahedron Letters}, volume = {50}, number = {26, SI}, year = {2009}, month = {JUL}, pages = {3425-3427}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {Phytosphingosine, Regioselectivity, Sharpless asymmetric kinetic resolution, Sphingolipids, stereoselectivity, Tethered aminohydroxylation}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2009.02.173}, author = {Dubey, Abhishek and Kumar, Pradeep} } @article { ISI:000265996200003, title = {Thermally induced cationic polymerization of glycidyl phenyl ether using novel xanthenyl phosphonium salts}, journal = {Macromolecular Research}, volume = {17}, number = {4}, year = {2009}, month = {APR}, pages = {221-226}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

The present study firstly describes the synthesis of novel, thermo-latent initiators based on xanthenyl phosphonium salts with different counter anions and phosphine moieties and secondly examines their efficiency in the bulk polymerization of glycidyl phenyl ether (GPE). The polymerization was performed with phosphonium salt initiators (I(SbF6), I(PF6), I(AsF6) and I(BF4)) at ambient temperature to 200 degrees C for 1 h. The order of initiator activity was I(SbF6) \> I(PF6) \> I(AsF6) \> I(BF4). To examine the effect of the phosphine moiety on the initiator activity, polymerization was carried out with I(SbF6) (Ph(3)P) and II(SbF6) (Bu(3)P) at ambient temperature to 170 degrees C for 1 h. The order of reactivity was I(SbF6) \> II(SbF6). In general, the conversion percentage increased with increasing polymerization temperature. The thermal stability of these salts was measured by then-no gravimetric analysis (TGA). The solubility of phosphonium salts in various organic solvents and epoxy monomers was also investigated.

}, keywords = {Cationic polymerization, glycidyl phenyl ether, phosphonium salts, thermo-latent}, issn = {1598-5032}, author = {Gupta, Mukesh Kumar and Singh, Raj Pal} } @article { ISI:000263249600064, title = {Tin-silicalite-1: synthesis by dry gel conversion, characterization and catalytic performance in phenol hydroxylation reaction}, journal = {Materials Chemistry and Physics}, volume = {114}, number = {1}, year = {2009}, month = {MAR}, pages = {344-349}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

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

}, keywords = {crystallisation, Dry gel conversion, microporous materials, Sn-MFI}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2008.09.026}, author = {Niphadkar, Prashant S. and Kotwal, Mehejabeen S. and Deshpande, Shilpa S. and Bokade, Vijay V. and Joshi, Praphulla N.} } @article { ISI:000265959200028, title = {Titanium superoxide: a heterogeneous catalyst for anti-Markovnikov aminobromination of olefins}, journal = {Tetrahedron Letters}, volume = {50}, number = {23}, year = {2009}, month = {JUN}, pages = {2815-2817}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A new facile procedure for the aminobromination of olefins in high yields has been described using p-toluene sulfonamide (p-TsNH(2)) and N-bromosuccinimide (NBS) as introgen and bromine sources, respectively, and titanium superoxide as a truly heterogeneous catalyst. The formation of anti-Markovnikov product exclusively in all the cases studied possibly proceeding I free radical reaction pathway is remarkable. (C) 2009 Elsevier Ltd. All rights reserved.

}, keywords = {anti-Markovnikov addition, Bromoamination, N-Bromosuccinimide, p-Toluenesulfonamide, Titanium superoxide}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2009.03.169}, author = {Shaikh, Tanveer Mahamadali and Karabal, Pratibha U. and Suryavanshi, Gurunath and Sudalai, Arumugam} } @article { ISI:000269715600024, title = {Total syntheses and absolute stereochemistry of decarestrictines C-1 and C-2}, journal = {Tetrahedron Letters}, volume = {50}, number = {40}, year = {2009}, month = {OCT}, pages = {5636-5639}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The total syntheses of decarestrictines C-1 and C-2 have been described. The synthetic strategy involves a practical and flexible approach using esterification and ring-closing metathesis to unite the acid and alcohol fragments. The acid fragments are enantiomers of each other and have been prepared from L-(-)-malic acid via similar transformations; in Sharpless asymmetric epoxidation, (+)-DET has been used for decarestrictine C-1 and (-)-DET for decarestrictine C-2. The alcohol fragment is identical for both decarestrictines C-1 and C-2 and has been accessed from D-(+)-mannitol. Comparison of the H-1 and C-13 NMR data combined with the computational studies predicts the presence of two conformations without and with hydrogen bonding (conformational isomers I and II for decarestrictine C-1), respectively. The H-1 and C-13 NMR data for decarestrictine C-2 completely agreed with the analytical data reported by Kibayashi et al. (C) 2009 Elsevier Ltd. All rights reserved.

}, keywords = {Decarestrictines, Pinnick oxidation, Ring-closing metathesis, Sharpless asymmetric epoxidation, Yamaguchi coupling reaction}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2009.07.099}, author = {Mohapatra, Debendra K. and Sahoo, Gokarneswar and Ramesh, Dhondi K. and Rao, J. Srinivasa and Sastry, G. Narahari} } @article { ISI:000263375600003, title = {Total synthesis of (+/-)-1,3,4,5-tetragalloylapiitol}, journal = {Synthesis-Stuttgart}, number = {3}, year = {2009}, month = {FEB}, pages = {372-374}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

Starting from citraconic anhydride, the first total synthesis of (+/-)-1,3,4,5-tetragalloylapiitol has been demonstrated via a stepwise route involving generation of an apiitol derivative followed by benzoylation.

}, keywords = {(+/-)-1, 3, 4, 5-tetragalloylapiitol, allylic hydroxylation, Natural products, osmium tetroxide}, issn = {0039-7881}, doi = {10.1055/s-0028-1083310}, author = {Patel, Ramesh M. and N. P. Argade} } @article {43208, title = {Total synthesis of (+/-)-petasitolone and (+/-)-fukinone}, journal = {Synthesis-Stuttgart}, year = {2009}, month = {NOV}, pages = {3833-3837}, abstract = {An efficient, general, and fully stereocontrolled synthesis of eremophilane-type compounds is disclosed. The approach features a highly diastereoselective Diels-Alder/aldol sequence to give a common intermediate, which is subsequently exploited to produce (+/-)-petasitolone and (+/-)-fukinone in a short sequence.}, doi = {10.1055/s-0029-1218150}, author = {Pasikanti, Srinivas and Reddy, D. Srinivasa and Iqbal, Javed and Dubey, Pramod Kumar and Das, Parthasarathi} } @article { ISI:000265052800004, title = {Total synthesis of verbalactone: an efficient, carbohydrate-based approach}, journal = {Tetrahedron Letters}, volume = {50}, number = {18}, year = {2009}, month = {MAY}, pages = {2048-2049}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A carbohydrate-based strategy for the total synthesis of verbalactone has been described. (3R,5R)-3,5-dihydroxydecanoic acid was dimerised under Yamaguchi conditions to provide verbalactone in an overall yield of 17\% starting from 3-deoxy-1,2:5,6-di-O-isopropylidine-alpha-D-glucofuranose. (c) 2009 Elsevier Ltd. All rights reserved.

}, keywords = {Chiral pool approach, D-Glucose, verbalactone, Yamaguchi{\textquoteright}s macrolactonization}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2009.02.062}, author = {Salunke, Ganesh B. and Shivakumar, I. and Gurjar, Mukund K.} } @article { ISI:000269243000011, title = {Traditional medicine-inspired approaches to drug discovery: can ayurveda show the way forward?}, journal = {Drug Discovery Today}, volume = {14}, number = {15-16}, year = {2009}, month = {AUG}, pages = {804-811}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Drug discovery strategies based on natural products and traditional medicines are re-emerging as attractive options. We suggest that drug discovery and development need not always be confined to new molecular entities. Rationally designed, carefully standardized, synergistic traditional herbal formulations and botanical drug products with robust scientific evidence can also be alternatives. A reverse pharmacology approach, inspired by traditional medicine and Ayurveda, can offer a smart strategy for new drug candidates to facilitate discovery process and also for the development of rational synergistic botanical formulations.

}, issn = {1359-6446}, doi = {10.1016/j.drudis.2009.05.009}, author = {Patwardhan, Bhushan and Mashelkar, Raghunath Anant} } @article { ISI:000271103500009, title = {Transesterification of edible and nonedible vegetable oils with alcohols over heteropolyacids supported on acid-treated clay}, journal = {Industrial \& Engineering Chemistry Research}, volume = {48}, number = {21}, year = {2009}, month = {NOV}, pages = {9408-9415}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

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

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

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

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

}, issn = {0108-2701}, doi = {10.1107/S0108270109000225}, author = {Krishnaswamy, Shobhana and Gonnade, Rajesh G. and Bhadbhade, Mohan M. and Shashidhar, Mysore S.} } @article { ISI:000269197400038, title = {Two-phase flow in minichannels: hydrodynamics, pressure drop, and residence time distribution}, journal = {Industrial \& Engineering Chemistry Research}, volume = {48}, number = {17}, year = {2009}, month = {SEP}, pages = {8193-8204}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Two-phase flow in mini-channels (1 mm x 1.5 mm x 430 mm and 1.5 mm x 0.5 mm x 430 mm serpentine channel geometry) made in different materials (SS 316, PMMA and Teflon) was studied at different flow rate ratio (0.66, 1.0 and 1.56) of the two immiscible fluids. A dual syringe pump was used to pump the fluids (air-water and water-kerosene) through the channels. For characterization of the two phase flow, experiments were carried out to measure the slug size distribution and relevant hydrodynamic properties, pressure drop across a single serpentine unit (i.e., one sinusoidal unit that includes two 180 degrees return bends connected by a straight portion of 20 mm) and also the residence time distribution of water. In all the cases, the effect of material of fabrication on the hydrodynamics was significant. Apart from flow rates and flow rate ratio of the two fluids, the slug size distribution was seen to have a strong effect of the channel orientation (vertical, horizontal) and also the flow direction (up-flow and down-flow). In the RTD studies, the response curve observed at the end of the channel was significantly different than the published literature. The reasons for such observations are discussed in detail.

}, issn = {0888-5885}, doi = {10.1021/ie801937x}, author = {Kulkarni, A. A. and Kalyani, Vishwanath S.} } @article { ISI:000279017900010, title = {Temperature dependent viscosity of mixtures of ionic liquids at different compositions}, journal = {Indian Journal of Chemistry Section A-Inorganic Bio-Inorganic Physical Theoretical \& Analytical Chemistry}, volume = {49}, number = {5-6, SI}, year = {2010}, month = {MAY}, pages = {727-730}, publisher = {NATL INST SCIENCE COMMUNICATION-NISCAIR}, address = {DR K S KRISHNAN MARG, PUSA CAMPUS, NEW DELHI 110 012, INDIA}, abstract = {

This work presents experimental investigations of viscosities of the mixtures of ionic liquids, viz., [bmim][BF(4)] + [bmim][PF(6)] and [hmim][BF(4)] + [hmim][PF(6)] at different temperatures. The temperature dependence of viscosities of these mixtures has been analysed in the light of Vogel-Fulcher-Tammann (VFT) equation with excellent accuracy. The viscosities of the mixtures have been analysed using a simple mixing rule.

}, keywords = {ionic liquids, viscosity}, issn = {0376-4710}, author = {Khupse, Nageshwar D. and Kurolikar, Shabana R. and Kumar, Anil} } @article { ISI:000283110500021, title = {Temperature effect on the molecular interactions between ammonium ionic liquids and N,N-dimethylformamide}, journal = {Journal of Physical Chemistry B}, volume = {114}, number = {42}, year = {2010}, month = {OCT}, pages = {13415-13425}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

In view of the wide scope of molecular interactions between the highly polar compound of N,N-dimethylformamide (DMF) and ammonium ionic liquids (ILs), we have measured thermophysical properties such as densities (rho) and ultrasonic sound velocities (u) over the whole composition range at temperatures ranging from 25 to 50 degrees C under atmospheric pressure. To gain some insight into the several aggregations of molecular interactions present in these mixed solvents, we predicted the excess molar volume (V(E)) and the deviations in isentropic compressibilities (Delta K(s)) as a function of the concentration of IL. These results are fitted to the Redlich-Kister polynomials. The materials investigated in the present study included the hydroxide series of ammonium ILs of tetramethylammonium hydroxide [(CH(3))(4)N][OH] (TMAH), tetraethylammonium hydroxide [(C(2)H(5))(4)N][OH] (TEAH), and tetrapropylammonium hydroxide [(C(2)H(7))(4)N][OH] (TPAH). The intermolecular interactions and structural effects were analyzed on the basis of the measured and the derived properties. A qualitative analysis of the results is discussed in terms of the ion-dipole and ion-pair interactions, and hydrogen bonding between ILs and DMF molecules and their structural factors.

}, issn = {1520-6106}, doi = {10.1021/jp108003x}, author = {Attri, Pankaj and Venkatesu, Pannuru and Kumar, Anil} } @article { ISI:000280070900009, title = {Temperature-dependent raman and dielectric spectroscopy of BiFeO3 nanoparticles: signatures of spin-phonon and magnetoelectric coupling}, journal = {Journal of Physical Chemistry C}, volume = {114}, number = {29}, year = {2010}, month = {JUL}, pages = {12432-12439}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

}, issn = {1932-7447}, doi = {10.1021/jp102450z}, author = {Jaiswal, Adhish and Das, Raja and Maity, Tuhin and Vivekanand, K. and Adyanthaya, Suguna D. and Poddar, Pankaj} } @article { ISI:000279851200004, title = {Template assisted highly ordered novel self assembly of micro-reservoirs and its replication}, journal = {Lab on a Chip}, volume = {10}, number = {15}, year = {2010}, month = {JAN}, pages = {1902-1906}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A novel method is developed for template assisted fabrication of a regular assembly of microcavity arrays. Simple micropatterns on PDMS mold are used to create complex geometries via solvent vapor back pressure in a biodegradable polymer. Cavities are in turn replicated in complimentary PDMS mushroom like microstructures.

}, issn = {1473-0197}, doi = {10.1039/c004576d}, author = {Hire, Santosh L. and Shelke, Manjusha V. and Kale, Vinayak S. and Galopin, Elisabeth and Kulkarni, Mohan G. and Boukherroub, Rabah and Ogale, Satishchandra B.} } @article { ISI:000277203500017, title = {Template-assisted synthesis and characterization of passivated nickel nanoparticles}, journal = {Nanoscale Research Letters}, volume = {5}, number = {5}, year = {2010}, month = {MAY}, pages = {889-897}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

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

}, keywords = {Nickel nanoparticles, Polymer-metal nanocomposites, Strongly acidic cation exchange resin, Stuctural and magnetic properties, Weakly acidic cation exchange resin}, issn = {1556-276X}, doi = {10.1007/s11671-010-9580-7}, author = {Gopalan, E. Veena and Malini, K. A. and Santhoshkumar, G. and Narayanan, T. N. and Joy, Pattayil Alias and Al-Omari, I. A. and Kumar, D. Sakthi and Yoshida, Yasuhiko and Anantharaman, Maliemadom R.} } @article { ISI:000282128700005, title = {Tensile properties, cell adhesion, and drug release behavior of chitosan-silver-gelatin nanohybrid films and scaffolds}, journal = {Macromolecular Research}, volume = {18}, number = {9}, year = {2010}, month = {SEP}, pages = {845-852}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Drug-loaded nanohybrid films and porous scaffolds were prepared using chitosan, Ag nanoparticles and gelatin using a solution casting and freeze-drying method, respectively. Gelatin was used to incorporate the cell onto the surface of the scaffolds and the nanohybrid films. 1-[2-hydroxyethyl]-2-methyl-5-nitroimidazole) (Metronidazole (MTZ) was used as a model drug. The small percentage of Ag nanoparticles in the nanohybrid films and scaffolds produced significantly higher cell proliferation and levels of drug release. The tensile properties showed improvement in strength by Ag nanoparticles reinforcement at the expense of elongation.

}, keywords = {carcinogenic metronidazole, cell proliferation, chitosan-Ag-gelatin nanohybrids, drug release, nano-hybrids, scaffolds}, issn = {1598-5032}, doi = {10.1007/s13233-010-0905-2}, author = {Rana, V. K. and Kushwaha, Omkar S. and Singh, RajPal and Mishra, Satyendra and Ha, Chang-Sik} } @article { ISI:000275328000070, title = {Thermal conductivity measurement of polyglycol alkyl ethers at temperatures from (303.15 to 393.15) K}, journal = {Journal of Chemical and Engineering Data}, volume = {55}, number = {3}, year = {2010}, month = {MAR}, pages = {1449-1452}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Experimental Values of the thermal conductivity of five pure polyglycol alkyl ethers are presented in a temperature range from (303.15 to 393.15) K at a pressure of 1 MPa. Measurements were made with a Setaram C-80 II calorimetric device equipped with a suitable vessel Setup and ail auxiliary thermostat to measure at high-temperature conditions using the steady-state coaxial cylinders method. The measured values of the thermal conductivity were compared with data reported in the literature. The reliability and accuracy of the experimental method were confirmed with the measurements on pure benzene with well-known thermal conductivity values. Our data agreed with the limited data available in the literature and were correlated using an empirical expression. The Uncertainty of the results was estimated to be within 2.0 \%, and the reproducibility of the data was better than +/- 0.5 \%.

}, issn = {0021-9568}, doi = {10.1021/je900641w}, author = {Salavera, Daniel and Patil, Kashinath R. and Coronas, Alberto} } @article { ISI:000277822200012, title = {Thermodynamic analysis of dry autothermal reforming of glycerol}, journal = {Fuel Processing Technology}, volume = {91}, number = {5}, year = {2010}, month = {MAY}, pages = {520-530}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

{Dry autothermal reforming of glycerol uses a combination of dry (CO(2)) reforming and partial oxidation reactions to produce syngas rich product stream. Thermodynamic equilibrium data for dry autothermal reforming of glycerol was generated for temperature range 600-1000 K . 1 bar pressure, OCGR [feed O(2)/C (C of glycerol only) ratio] 0.1 to 0.5 and CGR [feed CO(2)/glycerol ratio] 1 to 5 and analyzed. The objective of the paper is to identify the thermodynamic domain of the process operation, study the variation of product distribution pattern and describe the optimum conditions to maximize yield of the desired product and minimize the undesired product formation. Higher OCGR and higher CGR yielded a syngas ratio (similar to 1), with lower carbon and methane formation, while lower CGR and lower OCGR yielded good hydrogen and total hydrogen, with low water and CO2 production. The best thermoneutral condition for DATR of glycerol operation was seen at a temperature of 926.31 K at 1 bar pressure

}, keywords = {CO(2) reforming, Dry reforming, Glycerol reforming, Syngas production, Thermodynamic modeling}, issn = {0378-3820}, doi = {10.1016/j.fuproc.2009.12.015}, author = {Kale, Ganesh R. and Kulkarni, Bhaskar D.} } @article { ISI:000279737500056, title = {Thermodynamic study of combining chemical looping combustion and combined reforming of propane}, journal = {Fuel}, volume = {89}, number = {10}, year = {2010}, month = {OCT}, pages = {3141-3146}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

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

}, keywords = {Chemical looping combustion, CLC, CO(2) utilization, Energy generation}, issn = {0016-2361}, doi = {10.1016/j.fuel.2010.05.029}, author = {Kale, Ganesh R. and Kulkarni, Bhaskar D. and Joshi, Ajit R.} } @article { ISI:000285819500015, title = {Thermoneutral point analysis of ethanol dry autothermal reforming}, journal = {Chemical Engineering Journal}, volume = {165}, number = {3}, year = {2010}, month = {DEC}, pages = {864-873}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

{Dry autothermal reforming of ethanol can be used to produce a variety of value added products like hydrogen, syngas and also carbon (possible CNF). A thermodynamic analysis of dry autothermal reforming of ethanol has been carried out to locate the thermoneutral temperatures and product composition at those points at 1, 3, 6 and 9 bar reaction pressures. The variations of thermoneutral temperatures and individual product yields at those temperatures have been discussed to find the optimum operating parameters for desired product output from the process. The process operated at thermoneutral conditions can give useful products like hydrogen, syngas (of low ratio) and carbon (possibly CNFs) and also provide a way for CO2 sequestration using renewable ethanol fuel. A maximum of 2.58 moles of syngas of ratio 2.01 obtained at 1 bar

}, keywords = {CO2 utilization, Dry autothermal reforming, Ethanol reforming, Thermoneutral}, issn = {1385-8947}, doi = {10.1016/j.cej.2010.10.033}, author = {Kale, Ganesh R. and Kulkarni, Bhaskar D.} } @article { ISI:000276556600030, title = {Total synthesis of proposed auranthine}, journal = {Journal of Organic Chemistry}, volume = {75}, number = {8}, year = {2010}, month = {APR}, pages = {2702-2705}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Starting from CBz-protected glutamic anhydride and Boc-protected o-aminobenzyl amine, the first total synthesis of proposed structure of auranthine has been reported. An intramolecular aza-Wittig reaction involving a lactam carbonyl group that delivered the diazepine core unit was the key step in the synthesis.

}, issn = {0022-3263}, doi = {10.1021/jo100400z}, author = {Kshirsagar, Umesh A. and Puranik, Vedavati G. and N. P. Argade} } @article { ISI:000278575600024, title = {Total synthesis of tropinone using 1,3-dipolar cycloaddition of cyclic azomethine ylide and phenyl vinyl sulfone as the key step}, journal = {Chemistry of Natural Compounds}, volume = {46}, number = {2}, year = {2010}, month = {MAY}, pages = {254-256}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Total synthesis of tropinone from the readily available piperidone 2 is described. The rapid assembly of the tropane skeleton was achieved by 1,3-dipolar cycloaddition of cyclic azomethine ylide 3 to phenyl vinyl sulfone.

}, keywords = {1, 3-dipolar cycloaddition, cyclic azomethine ylide, phenyl vinyl sulfone, tropane alkaloids, tropinone}, issn = {0009-3130}, author = {Laha, Joydev K.} } @article { ISI:000278725100017, title = {Transesterification of cyclic carbonates to dimethyl carbonate using solid oxide catalyst at ambient conditions: environmentally benign synthesis}, journal = {Chemsuschem}, volume = {3}, number = {5}, year = {2010}, month = {MAY}, pages = {575-578}, publisher = {WILEY-V C H VERLAG GMBH}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, keywords = {calcium, environmental chemistry, heterogeneous catalysis, transesterification zinc}, issn = {1864-5631}, doi = {10.1002/cssc.201000038}, author = {Sankar, Meenakshisundaram and Satav, Srikanth and Manikandan, Palanichamy} } @article { ISI:000281996100013, title = {Transformation of chemically fine tuned zeolite A precursor into dense lithium aluminosilicates - a comprehensive phase evolution and sintering study}, journal = {Microporous and Mesoporous Materials}, volume = {135}, number = {1-3}, year = {2010}, month = {NOV}, pages = {82-89}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Beyond their conventional revelation as catalysts, zeolites are being perceived as more challenging materials for modern applications. Thermal recrystallization of zeolite precursors is an efficient method for the preparation of dense aluminosilicate ceramics. However, factors viz., nature of the precursor and the way of firing it etc., influence the product quality. The present report is a systematic and detailed account of a phase transformation of Li modified zeolite A precursor using powder X-ray diffraction (PXRD), thermogravimetry (TG), differential thermal analysis (DTA), scanning electron micrographs (SEM), atomic absorption spectroscopy (MS), energy dispersive X-ray (EDX) and density measurement techniques. It involves an amorphisation followed by a recrystallization into lithium aluminosilicate (LAS). A comprehensive correlation of PXRD, TG/DTA, SEM, EDX and density data explains the complexity of high temperature phase transition (25-1200 degrees C). A qualitative phase analysis revealed the mediation of formation of LAS ceramic, beta-spodumene by few satellite transitions of SiO(2). (C) 2010 Elsevier Inc. All rights reserved.

}, keywords = {LAS silicate, Phase evolution, Phase transformation, Powder XRD, zeolite}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2010.06.014}, author = {Selvaraj, Kaliaperumal} } @article { ISI:000275969800001, title = {Transport of yttrium metal ions through fibers supported liquid membrane solvent extraction}, journal = {Journal of Rare Earths}, volume = {28}, number = {1}, year = {2010}, month = {FEB}, pages = {1-6}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A novel idea of transport of yttrium (III) metal ions through fibers supported liquid membrane in two stage processes namely source to membrane and membrane to receiving phase has been proposed. The fibers supported liquid membrane was impregnated with different concentrations carrier. The experimental variables explored were concentration of yttrium (III) ions, pH of source phase, PC-88A concentration in membrane phase, acid concentration in receiving phase and stirring speed. The pre-concentration of yttrium MO ions was investigated from the dilute solutions. The two-channel fibers supported liquid membrane solvent extraction was investigated for the transport of yttrium (III) ions from the source to membrane and membrane to receiving phase. The transport of yttrium (III) ions was observed through the fibers supported liquid membrane with capillary action.

}, keywords = {channel, extraction, fibers supported liquid membrane solvent extraction, PC-88A, rare earths, stripping, yttrium metal ion}, issn = {1002-0721}, doi = {10.1016/S1002-0721(09)60038-7}, author = {Gaikwad, Abaji G. and Rajput, A. M.} } @article { ISI:000286789100007, title = {Target cum flexibility: an alkyne [2+2+2]-cyclotrimerization strategy for synthesis of trinem library}, journal = {Tetrahedron Letters}, volume = {52}, number = {1}, year = {2011}, month = {JAN}, pages = {38-41}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A rapid access to the central 4,5,6-tricyclic core of 4,5,6-trinems has been achieved by employing the alkyne [2+2+2]-cyclotrimerization as the key and final reaction in the synthesis. (C) 2010 Elsevier Ltd. All rights reserved.

}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2010.10.123}, author = {Ramana, C. V. and Dushing, Mangesh P. and Mohapatra, Sradhanjali and Mallik, Rosy and Gonnade, Rajesh G.} } @article { ISI:000294145600011, title = {Target cum flexibility: synthesis of C(3 {\textquoteleft})-spiroannulated nucleosides}, journal = {Tetrahedron Letters}, volume = {52}, number = {36}, year = {2011}, month = {SEP}, pages = {4627-4630}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

We report a simple strategy for the synthesis of a collection of C(3{\textquoteright})-spirodihydroisobenzo-furannulated nucleosides featuring a [2+2+2]-cyclotrimerization as the key reaction. The cyclotrimerization reactions are facile with the unprotected nucleosides having a diyne unit. When both alkynes of the diyne are terminal, the regioselectivity is poor. However, when one of the terminal alkynes is additionally substituted, the cyclotrimerizations are highly diastereoselective. Since the key bicycloannulation is the final step, this strategy provides flexibility in terms of the alkynes and is thus amenable for the synthesis of a focussed small molecule library. (C) 2011 Published by Elsevier Ltd.

}, keywords = {Dihydroisobenzofuran, Modified nucleosides, Tanaka catalyst, Willkinson catalyst, [2+2+2]-Cyclotrimerization}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2011.06.100}, author = {Dushing, Mangesh P. and Ramana, C. V.} } @article { ISI:000292095800003, title = {Temperature-guided diastereoselectivity switch during the desymmetrization of meso-7-azabicyclo[2.2.1]heptadiene: new strategy towards the synthesis of aminocyclitols}, journal = {Chemistry-A European Journal}, volume = {17}, number = {23}, year = {2011}, month = {MAY}, pages = {6304-6308}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, keywords = {aminocyclitols, azabicycloheptane, desymmetrization, diastereoselectivity, synthetic methods}, issn = {0947-6539}, doi = {10.1002/chem.201100418}, author = {Pandey, Ganesh and Rajender, Salla} } @article { ISI:000292113700028, title = {Template induced structural isomerism and enhancement of porosity in manganese(II) based metal-organic frameworks (Mn-MOFs)}, journal = {Chemical Communications}, volume = {47}, number = {27}, year = {2011}, month = {JUN}, pages = {7674-7676}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Three new metal-organic framework isomers have been synthesized by using the organic linker 5-triazole isophthalic acid and Mn(NO3)(2)center dot xH(2)O. Structural conversions from non-porous to porous MOFs due to the template effect have been observed. The cross-sectional pore apertures of the resulting Mn-MOFs are comparable to the molecular dimensions of the template (pyrazine and 4,40-bipyridine). The periodic increased porosity in Mn-MOFs depending on the size of the template used has been further confirmed by the CO2 adsorption isotherms.

}, issn = {1359-7345}, doi = {10.1039/c1cc12278a}, author = {Panda, Tamas and Pachfule, Pradip and Banerjee, Rahul} } @article { ISI:000294593400012, title = {Thermal epimerization of inositol 1,3-benzylidene acetals in the molten state}, journal = {Tetrahedron}, volume = {67}, number = {38}, year = {2011}, month = {SEP}, pages = {7280-7288}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

1,3-O-Benzylidene-2,4,5,6-tetra-O-substituted-myo-inositol derivatives obtained by the DIBAL-H reduction of the corresponding myo-inositol 1,3,5-orthobenzoate derivatives undergo epimerization at the acetal carbon on heating, in the molten state, just above their melting point. The same epimerization reaction does not proceed either in the crystalline state or in solution. DFT calculations suggest that the epimeric acetal obtained by this thermal process is relatively more stable than the starting acetal. Either of these acetals could not be obtained by the reaction of the corresponding inositol derived diol with benzaldehyde. These observations constitute a novel reaction solely in the molten state, which are rarely encountered in the literature. X-ray crystal structures of the epimeric acetals as well as their radical deoxygenation reaction are also reported. (C) 2011 Elsevier Ltd. All rights reserved.

}, keywords = {cyclitols, Deoxygenation, Epimerization, Melt, Xanthate}, issn = {0040-4020}, doi = {10.1016/j.tet.2011.07.044}, author = {Gurale, Bharat P. and Krishnaswamy, Shobhana and Vanka, Kumar and Shashidhar, Mysore S.} } @article { ISI:000293491600016, title = {Thermally decomposed Ni-Fe-hydrotalcite: a highly active catalyst for the solvent-free N-acylation of different amines by acid chlorides}, journal = {Catalysis Communications}, volume = {12}, number = {14}, year = {2011}, month = {AUG}, pages = {1351-1356}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A composite Ni-Fe catalyst obtained from the thermal decomposition of Ni-Fe-hydrotalcite at 600 degrees C shows very high activity in the solvent-free N-acylation of amines by different acid chlorides with high product yields under very mild reaction conditions (viz, room temperature, short reaction period and small amount of catalyst). The catalyst also shows excellent reusability in the reaction. The crystalline phases present in the catalyst are mixed oxides and hydroxides of nickel and iron. The high catalytic activity of the decomposed Ni-Fe-hydrotalcite is attributed to the formation of uniformly distributed Ni-Fe metal oxides and hydroxides. (C) 2011 Elsevier B.V. All rights reserved.

}, keywords = {Acid chlorides, amines, Decomposition of Ni-Fe-hydrotalcite, N-acylation of amines, Ni-Fe-hydrotalcite derived catalyst}, issn = {1566-7367}, doi = {10.1016/j.catcom.2011.05.015}, author = {Choudhary, Vasant R. and Dumbre, Deepa K.} } @article { ISI:000287839600014, title = {Tin incorporated periodic mesoporous organosilicas (Sn-PMOs): synthesis, characterization, and catalytic activity in the epoxidation reaction of olefins}, journal = {Catalysis Communications}, volume = {12}, number = {7}, year = {2011}, month = {MAR}, pages = {629-633}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Tin incorporated mesoporous organosilicas (Sn-PMO) having uniform hexagonal arrangements were prepared using alkyl trimethylammonium bromide surfactants under basic reaction conditions. Characterization techniques revealed that the structural ordering, morphology, and the percentage of tin incorporation depend critically on the hydrophobic chain length of surfactants. The Sn-PMO samples are thermally stable up to 500 degrees C under air atmosphere and were hydrothermally stable up to 100 h in boiling water. The organotinsilicates showed excellent catalytic activity and reusability in the epoxidation of norbornene and ciscyclooctene than an Sn-MCM-41 due to organic groups in the frame wall positions and the better accessibility of reactants to the active sites. (C) 2010 Elsevier B.V. All rights reserved.

}, keywords = {epoxidation, Hydrothermal stability, Mesoporous, Organosilica, Sn-MCM-41, Sn-PMO}, issn = {1566-7367}, doi = {10.1016/j.catcom.2010.11.025}, author = {Sisodiya, Sheetal and Shylesh, S. and Singh, A. P.} } @article { ISI:000294586400026, title = {TiO2 nanoparticle size dependence of porosity, adsorption and catalytic activity}, journal = {Colloids and Surfaces A-Physicochemical and Engineering Aspects}, volume = {385}, number = {1-3}, year = {2011}, month = {JUN}, pages = {195-200}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {Catalytic methylbutynol decomposition activity, Nano-titania, Particle size dependencies, Pyridine sorptiometry, Surface texture}, issn = {0927-7757}, doi = {10.1016/j.colsurfa.2011.06.010}, author = {Zaki, Mohamed I. and Fouad, Nasr E. and Mekhemer, Gamal A. H. and Jagadale, Tushar C. and Ogale, Satishchandra B.} } @article {42577, title = {To make polymer: quantum dot hybrid solar cells NIR-active by increasing diameter of PbS nanoparticles}, journal = {Solar Energy Materials and Solar Cells}, volume = {95}, year = {2011}, month = {OCT}, pages = {651{\textendash}656}, abstract = {

We fabricate NIR-active solar cells based on PbS quantum dots and a conventional conjugated polymer. These devices act as solar cells under exclusively NIR wavelengths above 650 nm. Here PbS nanoparticles absorb photons in the NIR range that in turn generate excitons. We show that with an assistance from a strong electron-acceptor (TiO2), these excitons can be dissociated to electrons and holes to yield a photocurrent in the external circuit. We then aim to extend the spectral window of the solar cells to higher wavelength region by increasing the diameter of PbS nanoparticles to make the cells further NIR-active. We observe that the short-circuit current (JSC) shows a peak when the diameter of PbS nanoparticles increases. Here, the spectral window can be extended till conduction band-edge of PbS quantum dots falls below that of TiO2 nanostructures cutting off the electron-transfer pathway. The NIR-active photovoltaic solar cells yield a short-circuit current (JSC) of 1.0 mA/cm2, open-circuit voltage (VOC) of 0.42 V, and power conversion efficiency (η) of 0.16\% and remain operative till 1200 nm.

}, doi = {10.1016/j.solmat.2010.09.034}, author = {Guchhait, Asim and Rath, Arup Kumar and Pal, Amlan J.} } @article { ISI:000292479300036, title = {Total synthesis of isofregenedadiol}, journal = {Organic Letters}, volume = {13}, number = {14}, year = {2011}, month = {JUL}, pages = {3690-3693}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The first total synthesis of isofregenedadiol, a bicyclic diterpene isolated from H. Viscosum, is reported starting from a D-(-)-pantolactone chiral pool. A one-pot quadruple reaction sequence comprising an enyne ring-closing metathesis/cross-metathesis/Diels-Alder/aromatization for the construction of a target skeleton Is the highlight of the present synthesis.

}, issn = {1523-7060}, doi = {10.1021/ol201336x}, author = {Kurhade, Suresh E. and Sanchawala, Abbas I. and Ravikumar, Velayutham and Bhuniya, Debnath and Reddy, D. Srinivasa} } @article { ISI:000288692000046, title = {Totall synthesis of (+/-)-sacidumllignan D}, journal = {Journal of Organic Chemistry}, volume = {76}, number = {7}, year = {2011}, month = {APR}, pages = {2315-2318}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The first total synthesis of (+/-)-sacidumlignan D featuring a Zn-mediated Barbier reaction and reverse Wacker oxidation to form the key gamma-lactone, its diastereoselective alpha-methylation followed by reduction cyclization, was documented.

}, issn = {0022-3263}, doi = {10.1021/jo1025749}, author = {Pandey, Sunil Kumar and Ramana, C. V.} } @article { ISI:000286868600075, title = {Toward an understanding of the molecular level properties of ziegler-natta catalyst support with and without the internal electron donor}, journal = {Journal of Physical Chemistry C}, volume = {115}, number = {5}, year = {2011}, month = {FEB}, pages = {1952-1960}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

}, issn = {1932-7447}, doi = {10.1021/jp1078289}, author = {Thushara, K. S. and Gnanakumar, Edwin S. and Mathew, Renny and Jha, Ratnesh Kumar and Ajithkumar, Thalasseril G. and Rajamohanan, P. R. and Sarma, Krishna and Padmanabhan, Sudhakar and Bhaduri, Sumit and Gopinath, Chinnakonda S.} } @conference {42783, title = {Transfer of technology (ToT) document of ethyl silicate-32}, booktitle = {Transfer of Technology (ToT)/ Technical Documents}, year = {2011}, month = {JAN}, address = {DRDL Hyderabad.}, author = {Ponrathnam, Surendra and Chelanattukizhakkemadath, Raman Rajan and Dwivedi, Mayank and Chavan, Nayaku and Qureshi, Moham and Bhongale, Sunil Sitaram and Rao, Locanindi Hari Sarvothama and Dhanasekharan, Janakiraman and Mohan, S. Krishna and Deokar, Sarika Babasaheb and Momin, Mohasin Shamshuddin} } @conference {42789, title = {Transfer of technology (ToT) document of phenol-aniline-formaldehyde (sf-342a) resins}, booktitle = {Transfer of technology (ToT) document}, year = {2011}, month = {JAN}, address = {DRDL Hyderabad.}, author = {Ponrathnam, Surendra and Chelanattukizhakkemadath, Raman Rajan and Dwivedi, Mayank and Chavan, Nayaku and Qureshi, Moham and Bhongale, Sunil Sitaram and Rao, Locanindi Hari Sarvothama and Dhanasekharan, Janakiraman and Mohan, S. Krishna and Deokar, Sarika Babasaheb and Momin, Mohasin Shamshuddin} } @article { ISI:000293066000011, title = {Transport of carbonate ions through supported liquid membrane by using Alamine 336 and trioctylphosphine oxide as carriers}, journal = {Green Chemistry Letters and Reviews}, volume = {4}, number = {2}, year = {2011}, month = {MAR}, pages = {159-169}, publisher = {TAYLOR \& FRANCIS LTD}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {

Transport studies were carried out for carbonate ions through supported liquid membrane (SLMs) by sing Alamine 336 and trioctylphosphine oxide (TOPO) as carriers. Experimental variables were investigated, such as concentration of carbonate ion (10(-5) to 4 x 10(-2) M), carriers (10(-5) to 10(-1) M), and alkali (0.01-0.5); and stirring speed (50-50 rpm) of bulk solutions. The use of combined carriers Alamine 336 and TOPO shows a synergic transport of carbonate ions. The stability of the SLM system in relation to the transport of carbonate ions has been studied. The enrichment of carbonate ions (10(-6) to 4 x 10(-2) M) from the dilute solution was explored. The different combinations of amines with TOPO show synergic permeability of the carbonate ions through SLM system.

}, keywords = {Alamine 336, carbonate ion, supported liquid membrane, synergic effect, trioctyl phosphine oxide (TOPO)}, issn = {1751-8253}, doi = {10.1080/17518253.2010.528046}, author = {Gaikwad, Abaji G.} } @article { ISI:000299239000008, title = {Transport of indium, gallium and thallium metal ions through chromatographic fiber supported solid membrane in acetylacetone containing mixed solvents}, journal = {Chinese Journal of Chemical Engineering}, volume = {19}, number = {6}, year = {2011}, month = {DEC}, pages = {955-963}, publisher = {CHEMICAL INDUSTRY PRESS}, address = {NO. 3 HUIXINLI CHAOYANGQU, BEIJING 100029, PEOPLES R CHINA}, abstract = {

The transport of metal ions of indium, gallium and thallium from source solution to receiving phase through the chromatographic fiber supported solid membrane in the acetylacetone (HAA) containing mixed solvent system has been explored. The fibers supported solid membranes were prepared with chemical synthesis from cellulose fibers and citric acid with the carboxylic acid ion exchange groups introduced. The experimental variables, such as concentration of metal ions (10(-2) to 10(-4) mol.L(-1)) in the source solution, mixed solvent composition [for example, acetylacetone, (2,4-pentanedione), (HAA) 20\% (by volume), 1,4-dioxane 10\% to 60\% and HCl 0.25 to 2 mol.L(-1)] in the receiving phase and stirring speed (50-130 r.min(-1)) of the bulk source and receiving phase, were explored. The efficiency of mixed solvents for the transport of metal ions from the source to receiving phase through the fiber supported solid membrane was evaluated. The combined ion exchange solvent extraction (CIESE) was observed effective for the selective transport of thallium, indium and gallium metal ions through fiber supported solid membrane in mixed solvents. The oxonium salt formation in the receiving phase enhances thallium, indium and gallium metal ion transport through solid membrane phase. The selective transport of thallium metal ions from source phase was observed from indium and gallium metal ions in the presence of hydrochloric acid in organic solvents in receiving phase. The separation of thallium metal ions from the binary mixtures of Be(II), Ti(IV), Al(III), Ca(II), Mg(II), K (I), La(III) and Y(III) was carried out in the mixed solvent system using cellulose fiber supported solid membrane.

}, keywords = {acetylacetone, extraction, fiber supported solid membrane, metal ions transfer, stripping}, issn = {1004-9541}, author = {Gaikwad, Abaji G.} } @article { ISI:000300274300002, title = {Transport of metal ions through cellulose fiber supported solid membrane into tributyl phosphate containing mixed solvents}, journal = {Chemical and Biochemical Engineering Quarterly}, volume = {25}, number = {4}, year = {2011}, month = {DEC}, pages = {425-431}, publisher = {CROATIAN SOC CHEMICAL ENGINEERING TECHNOLOGY}, address = {BERISLAVICEVA 6, PO BOX 123, HR-10000 ZAGREB, CROATIA}, abstract = {

A novel cation exchange fiber supported solid membrane was developed for transport of cobalt, manganese and nickel metal ions. Fiber supported solid membrane was prepared by chemically modifying the cellulose fibers with citric acid. In the fiber supported solid membrane, the diffusion by capillary action by keeping the liquid phase in the porous solid fiber and ion exchange mechanism were used for the effective transport of metal ions. The experimental variables examined were concentration of metal ions (10(-2) to 10(-4) mol L-1) in the source solution, mixed solvent composition (phi = 20 \% TBP, acetone or tetrahydrofuran or 1,4-dioxane or methanol or ethanol or 2-propanol 10 to 60 \% and HCl (1 to 2 mol L-1) in the receiving phase and stirring speed (40-120 rpm) of the bulk source and receiving phase. The enrichment of concentration of cobalt, manganese and nickel metal ions was observed from the dilute solutions.

}, keywords = {binary of mixtures of metal ions, cobalt, extraction, fiber supported solid membrane, ion exchange, manganese and nickel metal ions, stripping}, issn = {0352-9568}, author = {Gaikwad, Abaji G.} } @article { ISI:000287903100004, title = {Transport of metal ions through fiber supported solid membranes in mixed solvents}, journal = {Fibers and Polymers}, volume = {12}, number = {1}, year = {2011}, month = {FEB}, pages = {21-28}, publisher = {KOREAN FIBER SOC}, address = {KOREA SCIENCE TECHNOLOGY CTR \#501 635-4 YEOGSAM-DONG, KANGNAM-GU, SEOUL 135-703, SOUTH KOREA}, abstract = {

The transport of metal ions has been explored of bismuth, cadmium and lead from source solution to receiving phase through the fiber supported solid membrane system. The fibers supported solid membranes were prepared by chemically modification of cellulose fibers with the introducing the ion exchanging groups. The experimental variables explored were concentration of metal ions in the source solution, mixed solvent composition in the receiving phase and stirring speed of the bulk source solution and receiving phase. The efficiency has been evaluated for the transport of metal ions from the source to receiving phase through the fiber supported solid membrane. The pre-concentration was investigated of metal ions from the dilute solutions. The fiber supported solid membrane with two-channel systems had been investigated for the transport of metal ions from the source to receiving phase. The capillary action phenomenon helps to effectively transport the metal ions through the fiber supported solid membrane.

}, keywords = {binary of mixtures of metal ions, Bismuth, Cadmium and lead metal ions, extraction, fiber supported solid membrane, ion exchange, stripping}, issn = {1229-9197}, doi = {10.1007/s12221-011-0021-8}, author = {Gaikwad, Abaji G.} } @article {42513, title = {Taco complex derived from a bis-crown ether capable of executing molecular logic operation through reversible complexation}, journal = {Journal of Organic Chemistry}, volume = {77}, year = {2012}, month = {JUL}, pages = {6789{\textendash}6800}, abstract = {

As learned from natural systems, self-assembly and self-sorting help in interconnecting different molecular logic gates and thus achieve high-level logic functions. In this context, demonstration of important logic operations using changes in optical responses due to the formation of molecular assemblies is even more desirable for the construction of a molecular computer. Synthesis of an appropriate divalent as well as a luminescent crown ether based host 1 and paraquat derivatives, 2(PF6)2 and 3(PF6)2, as guests helped in demonstrating a reversible [3](taco complex) (1{\textperiodcentered}{2(PF6)2}2 or 1{\textperiodcentered}{3(PF6)2}2) formation in nonpolar solvent. Detailed 1H NMR studies revealed that two paraquat units were bound cooperatively by the two crown units in 1. Because of preorganization, the flexible host molecule 1 adopts a folded conformation, where each of two paraquat units remain sandwiched between the two aromatic units of each folded crown ether moiety in 1. Disassembly of the {\textquotedblleft}taco{\textquotedblright} complex in the presence of KPF6 and reassembly on subsequent addition of DB18C6 was initially demonstrated by 1H NMR spectral studies, which were subsequently corroborated through luminescence spectral studies. Further, luminescence spectral responses as output signals with appropriate and two independent molecular inputs could be correlated to demonstrate basic logic operation like OR and YES gates, while the results of the three molecular inputs could be utilized to demonstrate important logic operation like an INHIBIT gate.

}, doi = {10.1021/jo300622b}, author = {Mandal, Amal Kumar and Das, Priyadip and Mahato, Prasenjit and Acharya, Suhash and Das, Amitava} } @article {43253, title = {TDR Targets: a chemogenomics resource for neglected diseases}, journal = {Nucleic Acids Research}, volume = {40}, year = {2012}, month = {JAN}, pages = {D1118-D1127}, abstract = {The TDR Targets Database (http://tdrtargets.org) has been designed and developed as an online resource to facilitate the rapid identification and prioritization of molecular targets for drug development, focusing on pathogens responsible for neglected human diseases. The database integrates pathogen specific genomic information with functional data (e.g. expression, phylogeny, essentiality) for genes collected from various sources, including literature curation. This information can be browsed and queried using an extensive web interface with functionalities for combining, saving, exporting and sharing the query results. Target genes can be ranked and prioritized using numerical weights assigned to the criteria used for querying. In this report we describe recent updates to the TDR Targets database, including the addition of new genomes (specifically helminths), and integration of chemical structure, property and bioactivity information for biological ligands, drugs and inhibitors and cheminformatic tools for querying and visualizing these chemical data. These changes greatly facilitate exploration of linkages (both known and predicted) between genes and small molecules, yielding insight into whether particular proteins may be druggable, effectively allowing the navigation of chemical space in a genomics context.}, doi = {10.1093/nar/gkr1053}, author = {Magarinos, Maria P. and Carmona, Santiago J. and Crowther, Gregory J. and Ralph, Stuart A. and Roos, David S. and Shanmugam, Dhanasekaran and Van Voorhis, Wesley C.} } @article { ISI:000312519900003, title = {Temperature-dependent spectroscopic evidences of curcumin in aqueous medium: a mechanistic study of its solubility and stability}, journal = {Journal of Physical Chemistry B}, volume = {116}, number = {50}, year = {2012}, month = {DEC}, pages = {14533-14540}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

In curcumin, keto-enol-enolate equilibrium of the heptadiene-dione moiety determines its physiochemical and antioxidant properties. However, its poor solubility in water at neutral pH and room temperature decreases its bioavailability. Potential therapeutic applications have triggered an interest in manipulating the solubility of curcumin in water as its stability and solubility in water remains poorly understood. Here, the mechanism behind its solubility at various temperatures and the influence of interplay of temperature, intramolecular H-bonding, and intermolecular forces is reported, which leads to aggregation-disaggregation at various temperatures. Remarkable change is observed in temperature-dependent electronic transition behavior of curcumin, however, the absorption spectra after cooling and heating cycles remain unchanged, hinting much better thermal stability of curcumin in water than previously thought. This study indicates that it is perhaps the breaking of intramolecular hydrogen bonding which leads to exposure of polar groups and hence responsible for the dissolution of curcumin at higher temperature. The formation of intermolecular aggregates might be responsible behind a better room temperature stability of the molecules after cooling its aqueous suspension from 90 to 25 degrees C. These curcumin solubility studies have great application in biological research with reference to bioavailability and to understand target oriented mode of action of curcumin.

}, issn = {1520-6106}, doi = {10.1021/jp3050516}, author = {Jagannathan, Ramya and Abraham, Priya Mary and Poddar, Pankaj} } @article { ISI:000310567800027, title = {Theoretical study of frequency and temperature dependence of dipole-quadrupole polarizability of P-4 and adamantane}, journal = {Chemical Physics Letters}, volume = {552}, year = {2012}, month = {NOV}, pages = {146-150}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The frequency and temperature dependence of dipole-quadrupole polarizability of tetrahedral P-4 and adamantane molecules have been studied using first-principle all-electron density functional theory calculation. The recently developed time-dependent auxiliary density functional theory is extended for the calculation of dynamic dipole-quadrupole polarizabilities. Temperature effects are incorporated by Born-Oppenheimer molecular dynamics (BOMD) simulations recorded up to 100 ps. The dynamic dipole-quadrupole polarizabilities are calculated along these trajectories. The frequency and temperature effects can be significant for the accurate calculation of dipole-quadrupole polarizability. We have also identified the main reason for the observed discrepancy between experiment and theory in the case of adamantane. (c) 2012 Elsevier B.V. All rights reserved.

}, issn = {0009-2614}, doi = {10.1016/j.cplett.2012.09.045}, author = {Shedge, Sapana V. and Pal, Sourav and Koester, Andreas M.} } @article { ISI:000298712000050, title = {Theoretical study of metal-metal cooperativity in the homogeneous water gas shift reaction}, journal = {Inorganic Chemistry}, volume = {51}, number = {1}, year = {2012}, month = {JAN}, pages = {377-385}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The possibility of metal-metal cooperativity in improving the yield of the homogeneous water gas shift reaction (WGSR) has been investigated through full quantum mechanical density functional theory calculations. The calculations indicate that bimetallic catalysts would be likely to be more highly active than mononuclear metal-based catalysts for the WGSR. The results have implications for the design of improved WGSR catalysts in the future.

}, issn = {0020-1669}, doi = {10.1021/ic201788t}, author = {Kuriakose, Nishamol and Kadam, Shantanu and Vanka, Kumar} } @article { ISI:000308976200010, title = {Thermal expansion properties of stannosilicate molecular sieve with MFI type structure}, journal = {Chemical Physics Letters}, volume = {548}, year = {2012}, month = {OCT}, pages = {51-54}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

An in situ high temperature X-ray diffraction study was carried out for investigating the thermal expansion properties of Si-MFI and SnSi-MFI molecular sieves. The thermal stability up to 973 K and a negative lattice thermal expansion in anisotropic manner was exhibited by both the phases in the temperature range of 373-973 K. The trend observed in contraction along the axes was as: a \> c \> b. The substitution of Sn4+ in MFI framework resulted in an expansion of unit cell volume and in an increase in the lattice thermal expansion coefficient in the temperature range 423-973 K. (C) 2012 Elsevier B. V. All rights reserved.

}, issn = {0009-2614}, doi = {10.1016/j.cplett.2012.08.023}, author = {Niphadkar, P. S. and Bhange, Deu S. and Selvaraj, K. and Joshi, P. N.} } @article { ISI:000307387100024, title = {Thermal, mechanical, and rheological characterization of polypropylene/layered double hydroxide nanocomposites}, journal = {Polymer Engineering and Science}, volume = {52}, number = {9}, year = {2012}, month = {SEP}, pages = {2006-2014}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Polypropylene (PP)/organomodified layered double hydroxide (LDH) nanocomposites were prepared in order to examine the influence of LDH content on thermal, mechanical, and rheological properties. The nanostructure examinations by X-ray diffraction (XRD) and transmission electron microscopy (TEM) confirmed the exfoliated/intercalated dispersion of LDH. Incorporation of the LDH resulted in a noteworthy improvement in the thermal stability of PP. It was shown that the addition of LDH contributed to the reinforcement effect by increasing the elastic modulus. The mechanical performance, as evaluated by stressstrain curves, reveal that PP/LDH hybrid materials showed significant contribution toward increment in elastic modulus, tensile strength but at the expense of impact strength. The rheological response showed a strong influence of LDH particles on the flow behavior of the PP/LDH melt which resulted in enhancement of storage, loss of moduli, and complex viscosity of nanocomposites. Therefore, the nanocomposites have higher moduli but better processibility compared with pure PP. Overall, the results indicated that the LDH particles in nanometer size might act as potential reinforcing agent for polypropylene. POLYM. ENG. SCI., 52:20062014, 2012. (c) 2012 Society of Plastics Engineers

}, issn = {0032-3888}, doi = {10.1002/pen.23147}, author = {Lonkar, Sunil P. and Therias, Sandrine and Leroux, Fabrice and Gardette, Jean Luc and Singh, Raj Pal} } @article { ISI:000313024300028, title = {Thermally decomposed Cu-Fe-hydrotalcite. a novel highly active catalyst for o-arylation of naphthol and phenols by aryl halides}, journal = {Catalysis Communications}, volume = {29}, year = {2012}, month = {DEC}, pages = {132-136}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A novel, efficient and environmentally benign method has been reported for the synthesis of diaryl ethers by the o-arylation of napthol or phenols with aryl halides in dimethylformamide (as a solvent) under reflux, using a novel heterogeneous catalyst (having redox properties), obtained from thermal decomposition of Cu-Fe at 600 degrees C in the absence of externally added base. The catalyst comprises Cu(II) and Fe(III) species (oxides and hydroxides), which are uniformly distributed during the catalyst formation. The catalyst can be easily separated from the reaction mixture, simply by filtration and reused several times without a significant loss of its activity. (C) 2012 Elsevier B.V. All rights reserved.

}, keywords = {Aryl halides, C-O cross coupling reaction, Cu-Fe-hydrotalcite, Naphthol, o-Arylation, Phenols}, issn = {1566-7367}, doi = {10.1016/j.catcom.2012.09.024}, author = {Choudhary, Vasant R. and Dumbre, Deepa K. and Yadav, P. N. and Bhargava, Suresh Kumar} } @article { ISI:000303304900028, title = {TiO2-Au plasmonic nanocomposite for enhanced dye-sensitized solar cell (DSSC) performance}, journal = {Solar Energy}, volume = {86}, number = {5}, year = {2012}, month = {MAY}, pages = {1428-1434}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Anatase TiO2 nanoparticles dressed with gold nanoparticles were synthesized by hydrothermal process by using mixed precursor and controlled conditions. Diffused Reflectance Spectra (DRS) reveal that in addition to the expected TiO2 interband absorption below 360 nm gold surface plasmon feature occurs near 564 nm. It is shown that the dye sensitized solar cells made using TiO2-Au plasmonic nanocomposite yield superior performance with conversion efficiency (CE) of similar to 6\% (no light harvesting), current density (J(SC)) of similar to 13.2 mA/cm(2), open circuit voltage (V-oc) of similar to 0.74 V and fill factor (FF) 0.61; considerably better than that with only TiO2 nanoparticles (CE similar to 5\%, J(SC) similar to 12.6 mA/cm(2), V-oc similar to 0.70 V, FF similar to 0.56). (C) 2012 Elsevier Ltd. All rights reserved.

}, keywords = {Anatase TiO2, Au, Dye-sensitized solar cells, Hybrid composite, hydrothermal}, issn = {0038-092X}, doi = {10.1016/j.solener.2012.02.002}, author = {Muduli, Subas and Game, Onkar S. and Dhas, Vivek V. and Vijayamohanan, K. and Bogle, Kashinath A. and Valanoor, N. and Ogale, Satishchandra B.} } @article { ISI:000303158300021, title = {Topochemical click reaction: spontaneous self-stitching of a monosaccharide to linear oligomers through lattice-controlled azide-alkyne cycloaddition}, journal = {Angewandte Chemie-International Edition}, volume = {51}, number = {18}, year = {2012}, month = {APR}, pages = {4362-4366}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, keywords = {Click chemistry, green chemistry, polymerization, pseudosugars, topochemistry}, issn = {1433-7851}, doi = {10.1002/anie.201201023}, author = {Pathigoolla, Atchutarao and Gonnade, Rajesh G. and Sureshan, Kana M.} } @article {42809, title = {Total synthesis and structural revision of stagonolide D}, journal = {Journal of Organic Chemistry}, volume = {77}, year = {2012}, month = {FEB}, pages = {2169{\textendash}2175}, abstract = {

The total synthesis of the putative structure of stagonolide D has been completed. The relative and absolute configuration of stagonolide D was established by synthesizing its optical antipode. The adopted strategy involves the construction of the central macrolide employing ring-closing metathesis (RCM), followed by selective protecting group manipulations and a final concomitant -OTBS deprotection and displacement of an -OMs placed next to it, resulting in the formation of the epoxide ring.

}, doi = {10.1021/jo202138g}, author = {Vadhadiya, Paresh M. and Puranik, Vedavati G. and Ramana, Chepuri V.} } @article { ISI:000311926100005, title = {Total synthesis of (-)-isatisine A}, journal = {Journal of Organic Chemistry}, volume = {77}, number = {23}, year = {2012}, month = {DEC}, pages = {10509-10515}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A modular total synthesis of (-)-isatisine A is described in which four consecutive metal-mediated transformations have been employed at the final stage. These include [Pd]-catalyzed Sonogashira coupling, [Pd]-catalyzed nitroalkyne cycloisomerization leading to isatogens, and addition of indoles to isatogens using InCl3- and [Rh]-catalyzed oxidative N-heterocyclization of amino alcohol to form the key amide bond. In addition to these, the removal of the protecting groups has also been carried out in a selective fashion employing either catalytic or stoichiometric metal/metal-based reagents.

}, issn = {0022-3263}, doi = {10.1021/jo302198v}, author = {Patel, Pitambar and Ramana, C. V.} } @article {42808, title = {Total synthesis of ({\textendash})-sacidumlignans B and D}, journal = {Journal of Organic Chemistry}, volume = {77}, year = {2012}, month = {JAN}, pages = {1566{\textendash}1571}, abstract = {

The first total synthesis of naturally occurring sacidumlignans A (1), B (2), and D (4) was executed and the absolute configuration of 2 and 4 was determined. A diastereoselective α- methylation of a lactone was used as the key step for the control of the chiral centers of the central lignan core. An acid mediated dehydrative cyclization of an aldehyde to construct the dihydronaphthalene unit of 2 and the aromatization of the intermediate dihydronaphthalene derivative to synthesize 1 are the key reactions employed in this regard.

}, doi = {10.1021/jo2021696}, author = {Rout, Jeetendra Kumar and Ramana, Chepuri V.} } @article { ISI:000299584400070, title = {Toward a quantitative correlation between microstructure and DSSC efficiency: a case study of TiO2-xNx nanoparticles in a disordered mesoporous framework}, journal = {Journal of Physical Chemistry C}, volume = {116}, number = {3, SI}, year = {2012}, month = {JAN}, pages = {2581-2587}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The efficiency (eta) of a dye-sensitized solar cell (DSSC) depends on various parameters, the critical factors being a fast charge carrier transport and a slow rate of electron-hole recombination. The present article describes a simple combustion synthesis method to prepare TiO2-xNx with following four important features that directly influences eta: (1) a disordered mesoporous structural framework with high surface area to give high dye-loading and a small diffusion length for charge carriers allowing rapid movement to the surface; (2) electrically interconnected nanocrystalline TiO2-xNx particles with good necking and predominant (101) anatase facets to minimize electron-hole recombination; (3) low charge storage capacity in the titania framework; and (4) surface unsaturation assisting all the above factors. The pseudo-three-dimensional nature of mesoporous TiO2-xNx with the above features demonstrates the importance of textural features, and porosity allows faster diffusion of charge carriers to surface and their utilization to generate power. A quantitative correlation between interconnected nanoparticles over larger distances in a mesoporous framework and eta is demonstrated. This study also demonstrates an inexpensive and rapid method of producing the photoanode material with high eta in about 10 min.

}, issn = {1932-7447}, doi = {10.1021/jp210677d}, author = {Sivaranjani, Kumarsrinivasan and Agarkar, Shruti A. and Ogale, Satishchandra B. and Gopinath, Chinnakonda S.} } @article {43236, title = {Toward understanding the redox properties of model chromophores from the greenfluorescent protein family: an interplay between conjugation, resonance stabilization, and solvent effects}, journal = {Journal of Physical Chemistry B}, volume = {116}, year = {2012}, month = {OCT}, pages = {12398-12405}, abstract = {The redox properties of model chromophores from the green fluorescent protein family are characterized computationally using density functional theory with a long-range corrected functional, the equation-of-motion coupled-cluster method, and implicit solvation models. The analysis of electron-donating abilities of the chromophores reveals an intricate interplay between the size of the chromophore, conjugation, resonance stabilization, presence of heteroatoms, and solvent effects. Our best estimates of the gas-phase vertical/adiabatic detachment energies of the deprotonated (i.e., anionic) model red, green, and blue chromophores are 3.27/3.15, 2.79/2.67, and 2.75/2.35 eV, respectively. Vertical/adiabatic ionization energies of the respective protonated (i.e., neutral) species are 7.64/7.35, 7.38/7.15, and 7.70/7.32 eV, respectively. The standard reduction potentials (E-red(0)) of the anionic (Chr(center dot)/Chr(-)) and neutral (Chr(+center dot)/Chr) model chromophores in acetonitrile are 0.34/1.40 V (red), 0.22/1.24 V (green), and -0.12/1.02 V (blue), suggesting, counterintuitively, that the red chromophore is more difficult to oxidize than the green and blue ones (in both neutral and deprotonated forms). The respective redox potentials in water follow a similar trend but are more positive than the acetonitrile values.}, doi = {10.1021/jp305022t}, author = {Ghosh, Debashree and Acharya, Atanu and Tiwari, Subodh C. and Krylov, Anna I.} } @article { ISI:000300041700017, title = {Towards biodegradable elastomers: green synthesis of carbohydrate functionalized styrene-butadiene-styrene copolymer by click chemistry}, journal = {Green Chemistry}, volume = {14}, number = {2}, year = {2012}, month = {DEC}, pages = {348-356}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Random attachment of sugar molecules to synthetic polymers is an important strategy to induce biodegradability in these polymers. The present study successfully employs {\textquoteleft}{\textquoteleft}click{\textquoteright}{\textquoteright} chemistry to introduce low levels of sugar molecules onto styrene-butadiene-styrene (SBS) copolymer, a widely used commodity polymer which is not biodegradable. Spectral, morphological and thermal studies of the modified polymers were carried out to show the dramatic changes in the properties of these modified polymers. Thermal stability of glucose linked SBS had onset of degradation at 428 degrees C, down from 478 degrees C observed for SBS. Morphology studied by WAXRD and SEM showed destructuring of the polymer domains of SBS, which is beneficial for biodegradation of these polymers. Previous studies showed that sugars anchored by hydrolysable ester groups onto polystyrene were biodegradable; current studies show that sugars anchored by unhydrolyzable C-C bonds on the butadiene component of SBS copolymer are also significantly biodegradable.

}, issn = {1463-9262}, doi = {10.1039/c1gc16146f}, author = {Singh, Rakesh and Varma, Anjanikumar} } @article { ISI:000307308000020, title = {Transesterification of diethyl oxalate with phenol over sol-gel MoO3/TiO2 catalysts}, journal = {Chemsuschem}, volume = {5}, number = {8}, year = {2012}, month = {JUL}, pages = {1467-1473}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

The transesterification of diethyl oxalate (DEO) with phenol to form diphenyl oxalate (DPO) has been carried out in the liquid phase over very efficient MoO3/TiO2 solid-acid solgel catalysts. A selectivity of 100?\% with a remarkable maximum yield of 88?\% were obtained, which opens the route to downstream phosgene-free processes for the synthesis of polycarbonates. Interpretation of the results of various acidity measurements (NH3 and pyridine desorption, methanol oxidation as a probe reaction) allowed us to identify the catalytic sites as Lewis acid sites.

}, keywords = {heterogeneous catalysis, Lewis acids, Oxidation, sol-gel processes, transesterification}, issn = {1864-5631}, doi = {10.1002/cssc.201100802}, author = {Kotbagi, Trupti and Duy Luan Nguyen and Lancelot, Christine and Lamonier, Carole and Thavornprasert, Kaew-Arpha and Zhu Wenli and Capron, Mickael and Jalowiecki-Duhamel, Louise and Shubhangi B. Umbarkar and Dongare, Mohan K. and Dumeignil, Franck} } @article { ISI:000305379000012, title = {Transformation of (+/-)-lavandulol and (+/-)-tetrahydrolavandulol by a fungal strain Rhizopus oryzae}, journal = {Bioresource Technology}, volume = {115}, year = {2012}, month = {JUL}, pages = {70-74}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Biotransformation of an irregular monoterpene alcohol, (+/-)-lavandulol [(+/-)-5-methyl-2-(1-methylethenyl)-4-hexen-1-ol] (I) and its tetrahydro derivative, (+/-)-tetrahydrolavandulol [(+/-)-2-isopropyl-5-methylhexan-1-ol] (II) were studied using a soil isolated fungal strain Rhizopus oryzae. Five metabolites, 2-((3,3-dimethyloxiran-2-yl)methyl)-3-methylbut-3-en-1-ol (Ia), 2-methyl-5-(prop-1-en-2-yl)hex-2ene-1,6-diol (Ib), 2-methyl-5-(prop-1-en-2-yl)hexane-1,6-diol (Ic), 2-(3-methylbut-2-enyl)-3-methylenebutane-1,4-diol (Id), 5-methyl-2-(2-methyloxiran-2-yl)hex-4-en-1-01 (Ie) have been isolated from the fermentation medium and characterized with lavandulol as a substrate. When tetrahydrolavandulol used as a substrate, two metabolites 2-isopropyl-5-methylhexane-1,5-diol (IIa) and 2-isopentyl-3-methylbutane-1,3-diol (lib) have been isolated from the fermentation medium. Biotransformation studies with R. oryzae clearly indicate that the organism initiates the transformation either by hydroxylation at allylic methyl groups or epoxidation of double bond. GC and GCMS analyses indicated that both (R)and (S)-enantiomers of I and II have been transformed into corresponding hydroxylated or epoxy derivatives, when racemic I and II were used as substrates. (C) 2011 Elsevier Ltd. All rights reserved.

}, keywords = {Biotransformation, Fungus, Lavandulol, Rhizopus oryzae, Tetrahydrolavandulol}, issn = {0960-8524}, doi = {10.1016/j.biortech.2011.11.038}, author = {Daramwar, Pankaj P. and Rincy, Raju and Niloferjahan, Siddiqui and Krithika, Ramakrishnan and Gulati, Arvind and Yadav, Amit and Sharma, Rakesh and Thulasiram, Hirekodathakallu V.} } @article { ISI:000300911400014, title = {Transport of inorganic acids through polybenzimidazole (PBI) based membranes by chemo-dialysis}, journal = {Desalination and Water Treatment}, volume = {38}, number = {1-3}, year = {2012}, month = {JAN}, pages = {96-103}, publisher = {DESALINATION PUBL}, address = {36 WALCOTT VALLEY DRIVE,, HOPKINTON, MA 01748 USA}, abstract = {

A process of chemo-dialysis involving poly(benzimidazole) (PBI) as a chemically active membrane material is proposed for the transport of inorganic acids. These membranes possessing basic nature selectively bind acid molecules present in the feed solution due to acid-base interactions. They are transported across the membrane by concentration gradient as the driving force. The transported acid molecules are stripped away from other side of the membrane surface by a suitable stripping agent or water. Effects of nature of feed acid (pK(a), molecular size), its concentration in the feed solution and the nature of stripping agent (base or water) on acid transport properties are presented. Membranes showed appreciable transport rates for three acids, viz., H2SO4, HCl and HNO3. The fluxes for different acids varied from 16.1 to 140.7 g/m(2) h under different operating conditions. Most significantly, there was no transport of non-acidic solutes such as NaCl or glucose. This could be made possible since these solutes neither get sorbed in the membrane matrix, nor does the membrane exhibit any porosity for the transport to occur through pores. This resulted in practically infinite selectivity of transported acid over the non-acidic solutes. Use of water as the stripping agent allows recycling of the acid, making the process economically attractive. Moreover, possible recovery of acid and its reuse eliminated the requirement of acid neutralization and disposal; which is a routine practice followed today. Thus, this process of chemo-dialysis is economically attractive and environmentally benign.

}, keywords = {Acid transport, Chemical interaction, Chemo-dialysis, Inorganic acids, Membrane, Polybenzimidazole}, issn = {1944-3994}, doi = {10.5004/dwt.2012.2318}, author = {Chendake, Yogesh J. and Kharul, Ulhas K.} } @article { ISI:000305168600039, title = {Trehalose as an indicator of desiccation stress in Drosophila melanogaster larvae: a potential marker of anhydrobiosis (vol 419, pg 638, 2012)}, journal = {Biochemical and Biophysical Research Communications}, volume = {421}, number = {4}, year = {2012}, month = {MAY}, pages = {860}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, issn = {0006-291X}, doi = {10.1016/j.bbrc.2012.04.140}, author = {Thorat, Leena J. and Gaikwad, Sushama M. and Nath, Bimalendu B.} } @article { ISI:000302335800008, title = {Trehalose as an indicator of desiccation stress in Drosophila melanogaster larvae: a potential marker of anhydrobiosis}, journal = {Biochemical and Biophysical Research Communications}, volume = {419}, number = {4}, year = {2012}, month = {MAR}, pages = {638-642}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

In the current scenario of global climate change, desiccation is considered as one of the major environmental stressors for the biota exposed to altered levels of ambient temperature and humidity. Drosophila melanogaster, a cosmopolitan terrestrial insect has been chosen as a humidity-sensitive bioindicator model for the present study since its habitat undergoes frequent stochastic and/or seasonally aggravated dehydration regimes. We report here for the first time the occurrence of anhydrobiosis in D. melanogaster larvae by subjecting them to desiccation stress under laboratory conditions. Larvae desiccated for ten hours at \<5\% relative humidity could enter anhydrobiosis and could revive upon rehydration followed by resumption of active metabolism. As revealed by FIR and HPLC analyzes, our findings strongly indicated the synthesis and accumulation of trehalose in the desiccating larvae. Biochemical measurements pointed out the desiccation-responsive trehalose metabolic pathway that was found to be coordinated in concert with the enzymes trehalose 6-phosphate synthase and trehalase. Further, an inhibitor-based experimental approach using deoxynojirimycin, a specific trehalase inhibitor, demonstrated the pivotal role of trehalose in larval anhydrobiosis of D. melanogaster. We therefore propose trehalose as a potential marker for the assessment of anhydrobiosis in Drosophila. The present findings thus add to the growing list of novel biochemical markers in specific bioindicator organisms for fulfilling the urgent need of environmental biomonitoring of climate change. (C) 2012 Elsevier Inc. All rights reserved.

}, keywords = {Anhydrobiosis, biomarker, Deoxynojirimycin, Desiccation, Drosophila melanogaster, trehalose}, issn = {0006-291X}, doi = {10.1016/j.bbrc.2012.02.065}, author = {Thorat, Leena J. and Gaikwad, Sushama M. and Nath, Bimalendu B.} } @article { ISI:000305204500004, title = {Trends in bioconversion of lignocellulose: biofuels, platform chemicals \& biorefinery concept}, journal = {Progress in Energy and Combustion Science}, volume = {38}, number = {4}, year = {2012}, month = {AUG}, pages = {522-550}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Bioconversion of renewable lignocellulosic biomass to biofuel and value added products are globally gaining significant prominence. Market forces demonstrate a drive towards products benign to natural environment increasing the importance of renewable materials. The development of second generation bioethanol from lignocellulosic biomass serves many advantages from both energy and environmental point of views. Biomass an inexpensive feedstock considered sustainable and renewable, is an option with the potential to replace a wide diversity of fossil based products within the energy sector; heat, power, fuels, materials and chemicals. Lignocellulose is a major structural component of woody and non-woody plants and consists of cellulose, hemicellulose and lignin. The effective utilization of all the three components would play a significant role in the economic viability of cellulosic ethanol. Biomass conversion process involves five major steps, choice of suitable biomass, effective pretreatment, production of saccharolytic enzymes-cellulases and hemicellulases, fermentation of hexoses and pentoses and downstream processing. Within the context of production of fuels from biomass, pretreatment has come to denote processes by which cellulosic biomass is made amenable to the action of hydrolytic enzymes. The limited effectiveness of current enzymatic process on lignocellulose is thought to be due to the relative difficulties in pretreating the feedstocks. The present review is a comprehensive state of the art describing the advancement in recent pretreaments, metabolic engineering approaches with special emphasis on the latest developments in consolidated biomass processing, current global scenario of bioethanol pilot plants and biorefinery concept for the production of biofuels and bioproducts. (C) 2012 Elsevier Ltd. All rights reserved.

}, keywords = {Consolidated biomass processing, Lifecycle assessment, Lignocellulose, Pre-treatment, Saccharifying enzymes, Value-added products}, issn = {0360-1285}, doi = {10.1016/j.pecs.2012.02.002}, author = {Menon, Vishnu and Rao, Mala} } @article {43386, title = {Trends towards zero discharge of distillery effluents}, number = {18}, year = {2012}, month = {SEP}, pages = {211 - 215}, type = {Special Report}, abstract = {In the present paper we have described briefly a customer friendly process for the treatment of distillery effluent to obtain colourless water.In order to bring about improvement of cost factor, our developmental efforts towards cheaper and efficient adsorbents have been elucidated. Further improvement of its cost factor could be achieved by enhancing the colour removal ability of the adsorbent (activecharcoal) with small quantities of oxidizing agents (in ppm level). Recent developments towards obtaining valueadded products from spent wash using various methodologies and techniques have been reviewed with a view to encourage technocrats and entrepreneurs to take lead in this challenging and economically attractive endeavor}, author = {Gokarn, A. N. and Pande, Anita R. and Mayadevi, S.} } @article { ISI:000299158700036, title = {Tuberculosis drug streptomycin as a potential cancer therapeutic: inhibition of miR-21 function by directly targeting its precursor}, journal = {Angewandte Chemie-International Edition}, volume = {51}, number = {4}, year = {2012}, month = {DEC}, pages = {1019-1023}, publisher = {WILEY-BLACKWELL}, type = {Article}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, keywords = {Apoptosis, drug discovery, Gene expression, inhibitors, RNA}, issn = {1433-7851}, doi = {10.1002/anie.201106455}, author = {Bose, Debojit and Jayaraj, Gopal Gunanathan and Suryawanshi, Hemant and Agarwala, Prachi and Pore, Subrata Kumar and Banerjee, Rajkumar and Maiti, Souvik} } @article { ISI:000299212700017, title = {Tuning spectral properties of phenothiazine based donor-pi-acceptor dyes for efficient dye-sensitized solar cells}, journal = {Journal of Materials Chemistry}, volume = {22}, number = {3}, year = {2012}, month = {NOV}, pages = {889-894}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Two novel metal-free organic donor-pi-acceptor dyes were synthesized using electron-rich 10-butyl-(2-methylthio)-10H-phenothiazine as a donor and cyanoacrylic acid as an acceptor. The spectral response of the dye was tuned by introducing a vinylene thiophene pi-bridge. Obtained optical and electrochemical properties of the dyes seemed to be promising in terms of employing them as light harvesters in dye-sensitized solar cells (DSCs). The efficiencies of the devices under standard AM 1.5G (100 mW cm(-2)) conditions reached 7.3\% with volatile electrolyte. The differences in the photovoltaic parameters of these DSCs were explained by comparing the results of electrochemical impedance spectroscopy (EIS) measurements and transient photovoltage and photocurrent decay experiments.

}, issn = {0959-9428}, doi = {10.1039/c1jm14024h}, author = {Marszalek, Magdalena and Nagane, Satyawan and Ichake, Amol and Humphry-Baker, Robin and Paul, Vincent and Zakeeruddin, Shaik M. and Graetzel, Michael} } @article { ISI:000308778000025, title = {Tuning the functionality of a carbon nanofiber-Pt-RuO2 system from charge storage to electrocatalysis}, journal = {Inorganic Chemistry}, volume = {51}, number = {18}, year = {2012}, month = {SEP}, pages = {9766-9774}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Chemical-functionalization-induced switching in the property of a hybrid system composed of a hollow carbon nanofiber (CNF) and Pt and RuO2 nanoparticles from charge storage to electrocatalysis is presented. The results of this study show how important it is to have a clear understanding of the nature of surface functionalities in the processes involving dispersion of more than one component on various substrates including carbon nanomorphologies. When pristine CNF is used to decorate Pt and RuO2 nanoparticles, random dispersion occurs on the CNF surface (C-PtRuO2). This results in mainly phase-separated nanoparticles rich in RuO2 characteristics. In contrast to this, upon moving from the pristine CNF to those activated by a simple H2O2 treatment to create oxygen-containing surface functional groups, a material rich in Pt features on the surface is obtained (F-PtRuO2). This is achieved because of the preferential adsorption of RuO2 by the functionalized surface of CNF. A better affinity of the oxygen-containing functional groups on CNF toward RuO2 mobilizes relatively faster adsorption of this moiety, leading to a well-controlled segregation of Pt nanoparticles toward the surface. Further reorganization of Pt nanoparticles leads to the formation of a Pt nanosheet structure on the surface. The electrochemical properties of these materials are initially evaluated using cyclic voltammetric analysis. The cyclic voltammetric results indicate that C-PtRuO2 shows a charge storage property, a typical characteristic of hydrous RuO2, whereas F-PtRuO2 shows an oxygen reduction property, which is the characteristic feature of Pt. This clear switch in the behavior from charge storage to electrocatalysis is further confirmed by galvanostatic charge discharge and rotating-disk-electrode studies.

}, issn = {0020-1669}, doi = {10.1021/ic301147s}, author = {Balan, Beena K. and Kurungot, Sreekumar} } @article { ISI:000302336700011, title = {Tuning the performance of low-Pt polymer electrolyte membrane fuel cell electrodes derived from Fe2O3@Pt/C core-shell catalyst prepared by an in situ anchoring strategy}, journal = {Journal of Physical Chemistry C}, volume = {116}, number = {13}, year = {2012}, month = {APR}, pages = {7318-7326}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A low-Pt electrode with high performance and durability characteristic has been realized for polymer electrolyte membrane fuel cell applications from a carbon-supported Fe2O3@Pt core-shell catalyst prepared by a process involving in situ surface modification-cum-anchoring strategy. The process is based on an in-house-developed methodology for generating and interlocking the core-shell nanoparticles on the surface of the carbon substrate, which undergoes functionalization in the reaction medium itself by the intervention of the reducing agent employed in the reaction. Ascorbic acid, which was used as the reducing agent in the process, played a crucial role by making use of its multifunctional activities as reducing agent, stabilizing agent, as well as capping agent in addition to its efficiency in functionalizing the carbon surface during the course of the reaction. The formation of core-shell nanostructures could be confirmed by XRD, HR-TEM, and cyclic voltammetric analysis. The oxygen reduction property and the performance during the single cell evaluations were found to be strongly influenced by the thickness of the catalyst layer owing to the ohmic contribution from the higher mass fraction of the less conductive Fe2O3 core. However, when the thickness of the catalyst layer was kept within the threshold level, Fe2O3@Pt catalyst clearly outperforms the commercial Pt/C catalyst. This benefit of the core-shell catalyst enabled it to display a maximum power density of 900 mW/cm(2) with a significantly low cathode Pt loading of 0.05 mg/cm(2). An accelerated durability assessment of the membrane electrode assembly for 10 h gave consistent performance characteristics. The study gave convincing evidence on the feasibility of using the electrodes derived from the core-shell catalyst prepared by the in situ anchoring strategy for developing cost competitive systems and miniature cells for niche applications.

}, issn = {1932-7447}, doi = {10.1021/jp300628j}, author = {Dhavale, Vishal M. and Kurungot, Sreekumar} } @article {42589, title = {Twin liquid crystals and segmented thermotropic polyesters containing azobenzene?effect of spacer length on LC properties}, journal = {Journal of Polymer Science Part A: Polymer Chemistry}, volume = {50}, year = {2012}, month = {JUL}, pages = {2770{\textendash}2785}, abstract = {

We report systematic studies on a homologous series of twin liquid crystalline (LC) molecules based on phenyl and naphthyl azobenzene (PnP and NpnNp) as well as segmented copolyesters based on them. The twin series had the structure azobenzene{\textendash}oligooxyethylene{\textendash}azobenzene, where the ethyleneoxy length was varied from 2 to 6 units. The LC properties of the twin series depended on the chemical structure of the azochromophore and also the length of the central oligooxyethylene segment. The PnP series exhibited smectic LC properties for n \> three oligooxyethylene units. Conversely, NpnNp series exhibited spherulitic phases only for the shortest member {\textendash}Np2Np. One non-LC short spacer twin (P2P) and one LC long spacer twin (P6P) were incorporated as part of a main chain polyester composed of fully aliphatic segments of sebacate and di or tetraethylene glycol (DEG/TEG) units by melt polycondensation. Non-LC P2P formed LC polymers even at low (5 mol \%) incorporation in DEG-based copolymers, whereas the LC-P6P could do so only at 30 mol \% incorporation. The LC properties of the twin molecules as well as copolymers were studied using differential scanning calorimetry, polarized light microscopy (PLM) along with variable temperature wide angle X-ray diffraction. {\textcopyright} 2012 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem, 2012

}, doi = {10.1002/pola.26062}, author = {Nardele, Chinmay G. and Asha, S. K.} } @article { ISI:000316095000011, title = {Target cum flexibility: simple access to benzofuran conjugated sugar and nucleoside derivatives}, journal = {Tetrahedron Letters}, volume = {54}, number = {14}, year = {2013}, month = {APR}, pages = {1824-1827}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The [Pd]-catalyzed domino process comprising of the coupling of alkynes and o-iodophenol and the subsequent cyclization leading to benzofurans has been successfully applied on the sugar and nucleoside derived alkynes. (C) 2013 Elsevier Ltd. All rights reserved.

}, keywords = {Benzofuran, carbohydrates, cyclization, Nucleoside, Palladium}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2013.01.089}, author = {Kommagalla, Yadagiri and Srinivas, Kolluru and Ramana, C. V.} } @article { ISI:000326219500012, title = {Tetrazine templated method for the synthesis of ternary conjugates}, journal = {Chemical Communications}, volume = {49}, number = {92}, year = {2013}, month = {SEP}, pages = {10808-10810}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Conjugation is an important reaction that enables coupling of molecules. Many protocols exist for the synthesis of binary conjugates from two different molecules or for the polyvalent display of a singlemolecule. There aren{\textquoteright}tmanymethods for the synthesis of ternary conjugates. However, methods for ternary conjugation are important for understanding the interplay of interactions between three biomolecules (or any three molecules per se). A strategy for ternary bioconjugation using inverse electron demand Diels-Alder reaction with tetrazine is studied. Ternary conjugation was demonstrated by the reaction of a model glyco-peptide binary conjugate with a fluorescent tagged olefin.

}, issn = {1359-7345}, doi = {10.1039/c3cc46634e}, author = {Rao, Boddu Venkateswara and Dhokale, Snehal A. and Rajamohanan, Pattuparambil R. and Hotha, Srinivas} } @article { ISI:000318748300011, title = {Thermodynamic behavior of hydrophobically modified polyacrylamide containing random distribution of hydrophobes: experimental and theoretical investigations}, journal = {Polymer}, volume = {54}, number = {11}, year = {2013}, month = {MAY}, pages = {2676-2689}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Two series of Hydrophobically Modified Polyacrylamides (HMPAMs) were prepared by free radical copolymerization of trimethylsilylacrylamide with 3-pentadecylcyclohexylacrylamide (PDCAM) or dodecylacrylamide (DDAM) followed by removal of trimethylsilyl protecting groups. The solution properties of HMPAMs were studied in dilute aqueous solution by fluorescence spectroscopy, NMR and viscometry. The properties in aqueous solution of HMPAMs clearly displayed the formation of hydrophobic interactions between alkyl stickers. While dodecyl containing HMPAMs mainly showed a progressive collapse of the copolymer coil with the increasing fraction of hydrophobic moieties (weak intra-chain associations), pentadecylcyclohexyl groups containing HMPAMs exhibited a much lower solubility in water due to strong intra- and inter-chain associations. Experimental data were analyzed using the mean field theory developed by Semenov and Rubinstein (SR) for associating polymers. Using a set of realistic parameters, taking into account the solubility of the backbone, the fraction of stickers and the strength of hydrophobic attractions, we show that the SR model offers a quantitative description of the thermodynamic properties of HMPAMs in terms of individual and collective behavior of polymers chains; i.e. swelling and phase separation, respectively. (C) 2013 Elsevier Ltd. All rights reserved.

}, keywords = {Associating polymer, Polyacrylamide, Self-assembling}, issn = {0032-3861}, doi = {10.1016/j.polymer.2013.03.039}, author = {Hourdet, Dominique and Ducouret, Guylaine and Varghese, Sony and Badiger, Manohar V. and Wadgaonkar, Prakash P.} } @article { ISI:000311822100011, title = {Thermodynamics and solvation dynamics of BIV TAR RNA-Tat peptide interaction}, journal = {Molecular Biosystems}, volume = {9}, number = {1}, year = {2013}, month = {OCT}, pages = {88-98}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The interaction of the trans-activation responsive (TAR) region of bovine immunodeficiency virus (BIV) RNA with the Tat peptide is known to play important role in viral replication. Despite being thoroughly studied through a structural point of view, the nature of binding between BIV TAR RNA and the BIV Tat peptide requires information related to its thermodynamics and the nature of hydration around the TAR-Tat complex. In this context, we carried out the thermodynamic study of binding of the Tat peptide to the BIV TAR RNA hairpin through different calorimetric and spectroscopic measurements. Fluorescence titration of 2-aminopurine tagged BIV TAR RNA with the Tat peptide gives their binding affinity. The isothermal titration calorimetric experiment reveals the enthalpy of binding between BIV TAR RNA and the Tat peptide to be largely exothermic with the value of -11.7 (SEM 0.2) kcal mol(-1). Solvation dynamics measurements of BIV TAR RNA having 2-AP located at the bulge region have been carried out in the absence and presence of the BIV Tat peptide using the time correlated single photon counting technique. The solvent cage around the Tat binding site of RNA appears to be more rigid in the presence of the Tat peptide as compared to the free RNA. The displacement of solvent and ions on RNA due to peptide binding influences the entropic contributions to the total binding energy.

}, issn = {1742-206X}, doi = {10.1039/c2mb25357g}, author = {Goel, Teena and Kumar, Santosh and Maiti, Souvik} } @article { ISI:000328336300003, title = {Thermoneutral design aspects of gasoline chemical looping reformer}, journal = {Fuel Cells}, volume = {13}, number = {6}, year = {2013}, month = {DEC}, pages = {971-986}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

Chemical looping reforming (CLR) is a new technology for syngas generation. The theoretical process design aspects of syngas generation using CLR of isooctane (gasoline) are studied in this paper to assess its ability for fuel processor development for solid oxide fuel cells. The fuel processor operating conditions for maximum syngas generation at thermoneutral conditions are determined in this study using nickel oxide as oxygen carrier for different inputs of oxygen carrier within the temperature range of 600-1,000 degrees C at 1bar pressure. The thermoneutral temperatures for the dual reactor fuel processor were calculated using the hot product gas stream and exothermic CLR process enthalpy to completely balance the endothermic process requirements. The thermoneutral point of 879.5 degrees C (NiO input of 7moles) delivered maximum syngas (13.92moles) using lowest amount of air (26.13moles) in the process was found to be the most suitable thermoneutral temperature for the fuel processor operation. The novel fuel processor design can also be used for other fuels and oxygen carriers.

}, keywords = {Chemical Looping Reformer, Fuel Processor, Isooctane to Syngas, Oxygen Carrier, Thermoneutral Temperature}, issn = {1615-6846}, doi = {10.1002/fuce.201300023}, author = {Kale, G. R. and Kulkarni, B. D.} } @article { ISI:000335434600004, title = {Thermoresponsive and biodegradable dextran based microgels: synthesis and structural investigation}, journal = {Macromolecular Symposia}, volume = {329}, number = {1}, year = {2013}, note = {Polymer Networks Conference (PNG), WY, AUG 12-16, 2012}, month = {JUL}, pages = {27-34}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

Nanostructured objects, often ranging from hundreds of nanometers to few microns, support a number of functions directly linked to their structural features. They are, or they will be, protagonists in biomedical applications where miniaturized activities are required. These include the interface with living systems as tissues and cells, where targeted release of drug molecules occurs, or molecular imaging methods monitoring the drug trafficking in specific cell districts. The potentials of such devices, far to be fully understood, will be assessed only when a close correlation of their functions with their structure will be established. In this contribution we present a dextran based microdevice responsive to temperature and biodegradable. Both thermoresponsivity and biodegradability are of relevance for the potential use as drug carrier and controlled release device. The temperature behaviour, overall structure and internal architectures have been addressed with different methods.

}, keywords = {Biomaterials, colloids, dynamic light scattering, hydrogels, p(NiPAAm)}, issn = {1022-1360}, doi = {10.1002/masy.201300009}, author = {Ghugare, Shivkumar V. and Chiessi, Ester and Sakai, Victoria Garcia and Telling, Mark T. F. and Wadgaonkar, Prakash P. and Paradossi, Gaio} } @article { ISI:000317859400005, title = {Thiolated graphene - a new platform for anchoring CdSe quantum dots for hybrid heterostructures}, journal = {Nanoscale}, volume = {5}, number = {9}, year = {2013}, month = {MAR}, pages = {3615-3619}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Effective organization of small CdSe quantum dots on graphene sheets has been achieved by a simple solution exchange with thiol terminated graphene prepared by diazonium salt chemistry. This generic methodology of CdSe QD attachment to any graphene surface has remarkable implications in designing hybrid heterostructures.

}, issn = {2040-3364}, doi = {10.1039/c3nr00363a}, author = {Debgupta, Joyashish and Pillai, Vijayamohanan K.} } @article { ISI:000323361600008, title = {Three-dimensional, mesoporous titanosilicates as catalysts for producing biodiesel and biolubricants}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {377}, year = {2013}, month = {OCT}, pages = {65-73}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The application of three-dimensional, mesoporous titanosilicates, Ti-SBA-12 and Ti-SBA-16, as reusable solid acid catalysts for producing biodiesel and biolubricants is reported for the first time. Biodiesel was prepared by esterification of oleic acid with monohydric methanol and biolubricants by esterification with polyhydric alcohols (glycerol, trimethylolpropane, neopentyl glycol and pentaerythritol). High catalytic activity of these catalysts is attributed to the presence of dispersed Lewis acidic Ti sites and mesoporosity in the structure. Biodiesel yields as high as 90 mol\% were obtained at 443 K. Surface hydrophobicity of the catalyst has also a predominant role, especially, in reactions involving polyhydric alcohols. In those reactions, Ti-SBA-16 showed higher catalytic activity than Ti-SBA-12. (c) 2013 Elsevier B.V. All rights reserved.

}, keywords = {Biodiesel, Esterification of fatty acid, Lubricant basestocks, mesoporous materials, Ti-SBA-12, Ti-SBA-16, Titanosilicates}, issn = {1381-1169}, doi = {10.1016/j.molcata.2013.04.029}, author = {Kotwal, Mehejabeen and Kumar, Anuj and Darbha, Srinivas} } @article { ISI:000321573300021, title = {Total synthesis of umuravumbolide and hyptolide through silicon-tethered ring-closing metathesis}, journal = {European Journal of Organic Chemistry}, volume = {2013}, number = {21}, year = {2013}, month = {JUL}, pages = {4586-4593}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

The total synthesis of umuravumbolide and hyptolide has been achieved in a efficient manner by using temporary silicon-tethered ring-closing metathesis and cross-coupling reactions as key steps. The stereogenic centres were generated by means of proline-catalysed -aminoxylation of aldehydes and Brown{\textquoteright}s asymmetric allylation method.

}, keywords = {lactones, Metathesis, Silanes, synthetic methods, Total synthesis, Wittig reactions}, issn = {1434-193X}, doi = {10.1002/ejoc.201300302}, author = {Chowdhury, Partha Sarathi and Kumar, Pradeep} } @article {42445, title = {Transition-metal-free multicomponent reactions involving arynes, N-heterocycles, and isatins}, journal = {Angewandte Chemie-International Edition}, volume = {52}, year = {2013}, month = {AUG}, pages = {10040{\textendash}10043}, abstract = {

Mix and match: With isoquinoline as the nucleophilic trigger, multicomponent reactions afforded spirooxazino isoquinoline derivatives, proceeding through 1,4-dipolar intermediates. The use of pyridine as a nucleophile furnished indolin-2-one derivatives, with the reaction likely proceeding through a pyridylidene intermediate.

}, doi = {10.1002/anie.201304278}, author = {Bhunia, Anup and Roy, Tony and Pachfule, Pradip and Rajamohanan, Pattuparambil R. and Biju, Akkattu T.} } @article { ISI:000322288600009, title = {T-regulatory cell-mediated immune tolerance as a potential immunotherapeutic strategy to facilitate graft survival}, journal = {Blood Transfusion}, volume = {11}, number = {3}, year = {2013}, month = {JUL}, pages = {357-363}, publisher = {SIMITI SERVIZI SRL}, address = {VIA DESIDERIO 21, MILAN, 20131, ITALY}, keywords = {organ transplantation, tolerance induction, tregs}, issn = {1723-2007}, doi = {10.2450/2013.0258-12}, author = {Khan, Mohammad A. and Moeez, Sana and Akhtar, Suhail} } @article { ISI:000319708300034, title = {Triazole-linked anthracenyl-appended calix[4]arene conjugate as receptor for Co(II): synthesis, spectroscopy, microscopy, and computational studies}, journal = {Journal of Organic Chemistry}, volume = {78}, number = {8}, year = {2013}, month = {APR}, pages = {3570-3576}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A new triazole-linked anthracenyl-appended calix[4]arene-1,3-diconjugate (L) has been synthesized and characterized, and its single crystal XRD structure has been established. Binding properties of L toward different biologically relevant metal ions have been studied by fluorescence and absorption spectroscopy in ethanol. L exhibits selective recognition of Co2+ and can detect down to a concentration of 55 ppb (0.92 mu M). The roles of the calix[4]arene platform as well as the preorganized binding core in L{\textquoteright}s selective recognition have been demonstrated by studying appropriate control molecules. The mode of binding of L with Co2+ has been modeled both by DFT and MD computational calculations. L and its Co2+ complex could be differentiated on the basis of the nanostructural features observed in AFM and TEM.

}, issn = {0022-3263}, doi = {10.1021/jo400038x}, author = {Mummidivarapu, V. V. Sreenivasu and Hinge, Vijaya Kumar and Tabbasum, Khatija and Gonnade, Rajesh G. and Rao, Chebrolu P.} } @article { ISI:000318393000043, title = {True water soluble palladium-catalyzed Heck reactions in aqueous-organic biphasic media}, journal = {Tetrahedron Letters}, volume = {54}, number = {21}, year = {2013}, month = {MAY}, pages = {2733-2736}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A stable water soluble palladium catalyst has been demonstrated for the Heck reaction in a biphasic medium (water-non-polar organic solvent). Biphasic Heck reactions reported till now generally employ a non-polar solvent along with an aqueous polar water miscible organic solvent as the second phase. The efficiency of the Pd complex of TOTPS [Trisodium salt of tri-(ortho-tolyl) phosphine tri sulfonate] for the vinylation of different aryl iodides and olefins is demonstrated. The advantages of a co-solvent for this biphasic system have also been shown. The catalyst has been recycled efficiently retaining the activity with negligible loss of catalyst and without leaching of the Pd. (c) 2013 Elsevier Ltd. All rights reserved.

}, keywords = {Aqueous biphasic catalysis, C-C coupling, Heck reaction, Water-soluble catalyst}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2013.03.067}, author = {Jagtap, Sangeeta Vijay and Deshpande, Raj Madhukar} } @article { ISI:000330613400003, title = {Two-phase flow boiling in small channels: a brief review}, journal = {Sadhana-Academy Proceedings in Engineering Sciences}, volume = {38}, number = {6}, year = {2013}, month = {DEC}, pages = {1083-1126}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

Boiling flows are encountered in a wide range of industrial applications such as boilers, core and steam generators in nuclear reactors, petroleum transportation, electronic cooling and various types of chemical reactors. Many of these applications involve boiling flows in conventional channels (channel size \>= 3 mm). The key design issues in two phase flow boiling are variation in flow regimes, occurrence of dry out condition, flow instabilities, and understanding of heat transfer coefficient and vapor quality. This paper briefly reviews published experimental and modeling work in these areas. An attempt is made to provide a perspective and to present available information on boiling in small channels in terms of channel size, flow regimes, heat transfer correlations, pressure drop, critical heat flux and film thickness. An attempt is also made to identify strengths and weaknesses of published approaches and computational models of boiling in small channels. The presented discussion and results will provide an update on the state-of-the-art and will be useful to identify and plan further research in this important area.

}, keywords = {Boiling, dry-out, heat transfer, instabilities, small channel, two-phase flow}, issn = {0256-2499}, author = {Sardeshpande, Madhavi V. and Ranade, Vivek V.} } @article {PACHFULE, title = {Two-stage fermentation process for enhanced mannitol production using Candida magnoliae mutant R9}, journal = {Bioprocess and Biosystems Engineering}, volume = {36}, number = {2}, year = {2013}, month = {FEB}, pages = {193-203}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Mutants of Candida magnoliae NCIM 3470 were generated by treatment of ultra-violet radiations, ethyl methyl sulphonate and N-methyl-N{\textquoteright}-nitro-N-nitrosoguanidine. Mutants with higher reductase activity were screened by means of 2,3,5-triphenyl tetrazolium chloride agar plate assay. Among the screened mutants, the mutant R9 produced maximum mannitol (i.e. 46 g l(-1)) in liquid fermentation medium containing 250 g l(-1) glucose and hence was selected for further experiments. Preliminary optimization studies were carried out on shake-flask level which increased the mannitol production to 60 g l(-1) in liquid fermentation medium containing 300 g l(-1) glucose. A two-stage fermentation process comprising of growth phase and production phase was employed. During the growth phase, glucose was supplemented and aerobic conditions were maintained. Thereafter, the production phase was initiated by supplementing fructose and switching to anaerobic conditions by discontinuing aeration and decreasing the speed of agitation. The strategy of two-stage fermentation significantly enhanced the production of mannitol up to 240 g l(-1), which is the highest among all fermentative production processes and corresponds to 81 \% yield and 4 g l(-1) h(-1) productivity without formation of any by-product.

}, keywords = {Candida magnoliae, D-Mannitol, Mutagenesis, Strain improvement, Two-stage fermentation}, issn = {1615-7591}, doi = {10.1007/s00449-012-0775-4}, author = {Savergave, Laxman S. and Gadre, Ramchandra V. and Vaidya, Bhalchandra K. and Jogdand, Vitthal V.} } @article {45973, title = {Tailoring the product dstribution with batch and continuous process options in catalytic hydrogenation of furfural}, journal = {Organic Process Research \& Development}, volume = {18}, year = {2014}, month = {NOV}, pages = {1434-1442}, type = {Artical}, abstract = {

Various noble metal catalysts were screened in a batch operation for a furfural (FFR) single-step decarbonylation and hydrogenation reaction to obtain THF in high selectivity. Among these, the 3\% Pd/C showed complete FFR conversion with a total of 80\% selectivity to ring hydrogenated products including tetrahydrofuran (THF). The order of activity exhibited by other noble metals was Pt/C \> Re/C \> Ru/C. Although Pt/C exhibited the highest activity, its decarbonylation and ring hydrogenation ability were the least (24\%) with a major product selectivity of 66\% to furfuryl alcohol (FAL). Similarly, the Cu catalyst gave almost complete selectivity to FAL. In a continuous operation (23 g catalyst bed), the 3\% Pd/C catalyst showed higher selectivity of \>40\% compared to THF alone with complete FFR conversion and on-stream activity of similar to 100 h. The reaction pathway elucidated from some control experiments revealed that the decarbonylation of FFR to furan over the Pd/C catalyst is a prerequisite for THF formation.

}, issn = {1083-6160}, doi = {10.1021/op500196x}, author = {Biradar, Narayan S. and Hengne, Amol A. and Birajdar, Shobha N. and Swami, Rameshwar and Rode, Chandrashekhar V.} } @article {42438, title = {Tandem [4 + 2]/[2 + 2] cycloaddition reactions involving indene or benzofurans and arynes}, journal = {Organic Letters}, volume = {16}, year = {2014}, month = {JUN}, pages = {3576{\textendash}3579}, abstract = {

The reaction of arynes with indene/benzofurans has been developed. The arynes were generated from 2-(trimethylsilyl)aryl triflates by the fluoride-induced 1,2-elimination react with indene or various benzofurans proceeding via a cascade reaction involving the Diels{\textendash}Alder reaction and a [2 + 2] cycloaddition reaction. The tandem process afforded functionalized dihydrobenzocyclobutaphenanthrenes in moderate to good yields. Moreover, the method has been utilized for the one-pot synthesis of benzo[b]fluoranthene.

}, doi = {10.1021/ol501579d}, author = {Bhojgude, Sachin Suresh and Thangaraj, Manikandan and Suresh, Eringathodi and Biju, Akkattu T.} } @article {46375, title = {Tandem catalysis by in-situ generated microporous COF-Pd nanoparticle hybrids}, journal = {Acta Crystallographica A-Foundation and Advances}, volume = {70}, year = {2014}, month = {MAR}, pages = {C1034}, type = {Meeting Abstract}, keywords = {covalent organic frameworks, Pd nanoparticles, tandem catalysis}, issn = {2053-2733}, author = {Bhadra, Mohitosh and Banerjee, Rahul} } @article { ISI:000330201900057, title = {Temperature Dependent Phonon Shifts in Single-Layer WS2}, journal = {Acs Applied Materials \& Interfaces}, volume = {6}, number = {2}, year = {2014}, month = {JAN}, pages = {1158-1163}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Atomically thin two-dimensional tungsten disulfide (WS2) sheets have attracted much attention due to their potential for future nanoelectronic device applications. We report first experimental investigation on temperature dependent Raman spectra of single-layer WS2 prepared using micromechanical exfoliation. Our temperature dependent Raman spectroscopy results shows that the E-2g(1) and A(1g) modes of single-layer WS2 soften as temperature increases from 77 to 623 K. The calculated temperature coefficients of the frequencies of 2LA(M), E-2g(1), A(1g), and A(1g)(M) + LA(M) modes of single-layer WS2 were observed to be -0.008, -0.006, -0.006, and -0.01 cm(-1) K-1, respectively. The results were explained in terms of a double resonance process which is active in atomically thin nanosheet. This process can also be largely applicable in other emerging single-layer materials.

}, keywords = {layered materials, phonon vibrations, Raman spectroscopy, thermal effect, WS2}, issn = {1944-8244}, doi = {10.1021/am404847d}, author = {Thripuranthaka, M. and Late, Dattatray J.} } @article { ISI:000332619100046, title = {Temperature dependent Raman spectroscopy of chemically derived few layer MoS2 and WS2 nanosheets}, journal = {Applied Physics Letters}, volume = {104}, number = {8}, year = {2014}, month = {FEB}, pages = {081911}, publisher = {AMER INST PHYSICS}, address = {1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA}, abstract = {We have systematically investigated the temperature dependent Raman spectroscopy behavior of a few layered MoS2 and WS2 nanosheets synthesized using simple hydrothermal method. Our result reveals A(1g) and E-2g(1) modes soften as temperature increases from 77 K to 623 K. This behavior can be explained in terms of a double resonance process which is active in single-and few layer thick nanosheets. The frequency shifts and peak broadening can provide unambiguous, nondestructive, and accurate information of a few layered MoS2 and WS2. This mechanism can also be applicable in characterizing the structural, optical, electronic, and vibrational properties of other emerging layered materials. (c) 2014 AIP Publishing LLC.}, issn = {0003-6951}, doi = {10.1063/1.4866782}, author = {Thripuranthaka, M. and Kashid, Ranjit V. and Rout, Chandra Sekhar and Late, Dattatray J.} } @article { ISI:000334078500086, title = {Temperature dependent Raman spectroscopy of chemically derived few layer MoS2 and WS2 nanosheets (vol 104, 081911, 2014)}, journal = {Applied Physics Letters}, volume = {104}, number = {12}, year = {2014}, month = {MAR}, pages = {129901}, publisher = {AMER INST PHYSICS}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, issn = {0003-6951}, doi = {10.1063/1.4869463}, author = {Thripuranthaka, M. and Kashid, Ranjit V. and Rout, Chandra Sekhar and Late, Dattatray J.} } @article { ISI:000340809600062, title = {Template-free fabrication of highly-oriented single-crystalline 1D-rutile TiO2-MWCNT composite for enhanced photoelectrochemical activity}, journal = {Journal of Physical Chemistry C}, volume = {118}, number = {33}, year = {2014}, month = {AUG}, pages = {19363-19373}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Template-free synthesis of phase pure one-dimensional (1D), single crystalline rutile titania nanorods or wires at low temperature still remains a challenging task due to its complex nature of surface chemistry. In these ID structures, charge transport is highly favored. To further modify the electrical conductivity and optoelectronic properties of these 1D nanostructures, various methods such as doping of TiO2 with metal and nonmetal and synthesis of branched and hybrid structures are developed. If these hybrid structures can directly synthesize on the substrate, the transport of the electron will improve due to reduced grain boundary and exciton recombination. In this contribution, for the first time, we have simultaneously synthesized 1D-rutile TiO2-multiwalled carbon nanotube (MWCNT) composite film directly grown on fluorine dope conducting oxide (FTO) substrate along with 1D-rutile TiO2-MWCNT composite powder. The as-grown nanorods films were single-crystalline and oriented vertically with respect to the substrate, having an average height of similar to 2 mu m. The well connected network of TiO2 with MWCNTs was observed through electron microscopy. The composite film shows positive movement of the flat-band edge and increase in charge carrier density. The TiO2-MWCNT composite was successfully used as photoanode in a dye sensitized solar cell (DSSC) and exhibits a 60\% increase in energy-conversion efficiency compared with only TiO2 nanorods.

}, issn = {1932-7447}, doi = {10.1021/jp5023983}, author = {Sadhu, Subha and Poddar, Pankaj} } @article { ISI:000337521700009, title = {Thermal expansion, anharmonicity and temperature-dependent Raman spectra of single- and few-layer MoSe2 and WSe2}, journal = {ChemPhysChem}, volume = {15}, number = {8}, year = {2014}, month = {JUN}, pages = {1592-1598}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

We report the temperature-dependent Raman spectra of single-and few-layer MoSe2 and WSe2 in the range 77-700 K. We observed linear variation in the peak positions and widths of the bands arising from contributions of anharmonicity and thermal expansion. After characterization using atomic force microscopy and high-resolution transmission electron microscopy, the temperature coefficients of the Raman modes were determined. Interestingly, the temperature coefficient of the A(2u)(2) mode is larger than that of the A(1g) mode, the latter being much smaller than the corresponding temperature coefficients of the same mode in single-layer MoS2 and of the G band of graphene. The temperature coefficients of the two modes in single-layer MoSe2 are larger than those of the same modes in single-layer WSe2. We have estimated thermal expansion coefficients and temperature dependence of the vibrational frequencies of MoS2 and MoSe2 within a quasi-harmonic approximation, with inputs from first-principles calculations based on density functional theory. We show that the contrasting temperature dependence of the Raman-active mode A(1g) in MoS2 and MoSe2 arises essentially from the difference in their strainphonon coupling.

}, issn = {1439-4235}, doi = {10.1002/cphc.201400020}, author = {Late, Dattatray J. and Shirodkar, Sharmila N. and Waghmare, Umesh V. and Dravid, Vinayak P. and Rao, C. N. R.} } @article { ISI:000343613800043, title = {Thermal stability of cellulose and their nanoparticles: Effect of incremental increases in carboxyl and aldehyde groups}, journal = {Carbohydrate Polymers}, volume = {114}, year = {2014}, month = {DEC}, pages = {339-343}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Oxidized cellulose containing carboxyl and aldehyde functional groups represent an important class of cellulose derivatives. In this study effect of incrementally increasing COOH and CHO groups at C2, C3, and C6 positions of cellulose and nanocellulose has been investigated, with a view to understanding their effect on thermal treatment of cellulose. The results show that 2,3-dialdehyde cellulose (DAC) is the most thermally stable oxidized product of cellulose while the most unstable derivatives contain carboxyl group at the C6 position (6CC). Carboxymethylcellulose (CMC), with carboxymethyl group on C6 position, is more stable than 6CC. Multi-functionalized celluloses 2,3,6-tricarboxycellulose and 6-carboxy-2,3-dialdehyde, have the same level of thermal stability as 6CC, showing that the presence of carboxyl at the C6 is a key destabilizing factor in the thermal stability of oxidized cellulose products. More the number of reducing end groups on the polymer chain, lower the thermal stability of the cellulose, as proved by comparing the TGA/DTG of monomeric analogs dextrose, cellobiose and glucuronic acid with the oxidized celluloses. The thermal stability trend observed for oxidized celluloses was DAC \> DCC \> nanoparticles \> dextrose \>glucuronic acid, caused by extent of reducing ends and COOH groups. (C) 2014 Elsevier Ltd. All rights reserved.

}, keywords = {2, 3, 3-Dialdehyde cellulose, 6-Carboxycellulose, 6-Tricarboxycellulose, cellulose, TGA/DTG}, issn = {0144-8617}, doi = {10.1016/j.carbpol.2014.08.032}, author = {Sharma, Priyanka R. and Varma, Anjanikumar} } @article { ISI:000333776000055, title = {Thermodynamic and kinetic verification of tetra-n-butyl ammonium nitrate (TBANO(3)) as a promoter for the clathrate process applicable to precombustion carbon dioxide capture}, journal = {Environmental Science \& Technology}, volume = {48}, number = {6}, year = {2014}, month = {MAR}, pages = {3550-3558}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

In this study, tetra-n-butyl ammonium nitrate (TBANO(3)) is evaluated as a promoter for precombustion capture of CO2 via hydrate formation. New hydrate phase equilibrium data for fuel gas (CO2/H-2) mixture in presence of TBANO(3) of various concentrations of 0.5, 1.0, 2.0, 3.0, and 3.7 mol \% was determined and presented. Heat of hydrate dissociation was calculated using Clausius-Clapeyron equation and as the concentration of TBANO(3) increases, the heat of hydrate dissociation also increases. Kinetic performance of TBANO(3) as a promoter at different concentrations was evaluated at 6.0 MPa and 274.2 K. Based on induction time, gas uptake, separation factor, hydrate phase CO2 composition, and rate of hydrate growth, 1.0 mol \% TBANO(3) solution was found to be the optimum concentration at the experimental conditions of 6.0 MPa and 274.2 K for gas hydrate formation. A 93.0 mol \% CO2 rich stream can be produced with a gas uptake of 0.0132 mol of gas/mol of water after one stage of hydrate formation in the presence of 1.0 mol \% TBANO(3) solution. Solubility measurements and microscopic images of kinetic measurements provide further insights to understand the reason for 1.0 mol \% TBANO(3) to be the optimum concentration.

}, issn = {0013-936X}, doi = {10.1021/es4044819}, author = {Babu, Ponnivalavan and Yao, Minghuang and Datta, Stuti and Kumar, Rajnish and Linga, Praveen} } @article { ISI:000334306500004, title = {Thermoneutral conditions in dry reforming of ethanol}, journal = {Asia-Pacific Journal of Chemical Engineering}, volume = {9}, number = {2}, year = {2014}, month = {MAR}, pages = {196-204}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

The reaction enthalpy (Delta H) of reforming processes like steam and dry (CO2) reforming is of great importance for scale-up and process development. Generally, the reforming processes are considered endothermic in nature. However, a detailed study of the reaction enthalpy of reforming process, taking the example of dry reforming of ethanol considered in this study, reveals the existence of exothermic reaction enthalpy at low temperatures. A study of reaction enthalpy of ethanol dry reforming within pressure (1-10 bar), temperature range (300-900 degrees C), and CO2 to carbon in ethanol ratio (CCER 1-5) was initiated to determine the existence of thermoneutral temperatures for the overall reaction. The variation of thermoneutral conditions and product yields at the thermoneutral temperatures was studied. The utilization potential of the products generated at thermoneutral conditions was also evaluated. The low-pressure thermoneutral operation favored higher hydrogen production, lower methane and water formation, whereas the high-pressure thermoneutral operation favored product gas of lower syngas ratio with higher CO2 conversion (utilization) in the process. The study can be extended to steam and dry reforming of other fuels to generate valuable products at thermoneutral conditions avoiding use of air in the process and subsequent N-2 dilution of the product gas. (c) 2013 Curtin University of Technology and John Wiley \& Sons, Ltd.

}, keywords = {carbon nanofilaments, CO2 utilization, Dry reforming, ethanol to syngas, thermoneutral process}, issn = {1932-2135}, doi = {10.1002/apj.1759}, author = {Kale, Ganesh R. and Kulkarni, Bhaskar D.} } @article {45935, title = {(Thio)urea-mediated benzoxazinone opening: mild approach towards synthesis of o-(substituted amido)benzamides}, journal = {RSC Advances}, volume = {4}, year = {2014}, month = {NOV}, pages = {6858 to 7367}, type = {Journal Article}, abstract = {C-terminal activation of N-acylated o-aminobenzoic acids and their derivatives during coupling reactions with amines would often pose a challenge due to the formation of a benzoxazinone intermediate, which may resist reacting with amines. This communication reports a mild approach towards the installation of an amide bond via benzoxazinone ring opening utilizing Schreiner{\textquoteright}s (thio)urea organocatalyst. Peptide coupling reactions oen encounter major hurdles because of the formation of side products during carbonyl activation of various amino acids, like N-carboxyanhydride, diketopiperazine etc. 1 1,3-benzoxazinones (Fig. 1) are a class of heterocyclic side products obtained upon C-terminal activation of anthranilic acid and their derivatives due to the intra-molecular cyclization of the benzamide oxygen, resulting in trace or no coupling. 2 Strategies meant either to avert its formation in situ or to react it with amines have been attempted through heating the reactants at elevated temperatures 3 and/or in the presence of bases. 2b,c However, such drastic conditions may cause quinazoline formation as well, owing to a second cyclodehydration of the coupled product. Moreover, applying such drastic conditions to amino acids may not be advisable due to the possibility of epimerization. We have been interested for quite some time in the devel-opment of foldamers containing the Ant{\textendash}Pro reverse-turn motif (Ant {\textonequarter} anthranilic acid, Pro {\textonequarter} proline), Fig. 1. 4 The striking feature of this motif is its robust 9-membered-ring intra-molecular H-bonding network. Occasionally, the formation of a benzoxazinone intermediate causes a drastic fall in the yield of coupled products. 5 Owing to the reduced reactivity of benzox-azinones towards amine nucleophiles, we attempted different conditions, such as heating the reaction mixture and under microwave conditions. Unfortunately, these procedures led to only partial conversion of the oxazinone into the product. Aer extensive effort, we were successful in developing an efficient method for coupling a range of isolated benzoxazinone inter-mediates via nucleophilic ring-opening utilizing DBU (1,8-dia-zabicycloundec-7-ene) in DMF containing A molecular sieves. 5 However, in a few cases, this method produced only meagre yields of the coupled product. One such instance was the reac-tion of 2-(2-azidopropan-2-yl)-2H-benzo[d][1,3]oxazin-4-one 1a, Table 1 (isolated as the major by-product on activation of 2-(2-azido-2-methylpropanamido)benzoic acid) with H-L Pro-OBn to obtain compound 2a. Scanty yields of the product isolated under DBU-mediated opening conditions impelled us to explore a carbonyl activation route to open the azlactone moiety. Hence, we employed some lactone activating agents, such as Sc(OTf) 3 , Ti(O i Pr) 4 etc., but none of the trials were rewarding.}, issn = {2046-2069}, doi = { 10.1039/c3ra45903a}, author = {Nair, R. V. and Sanjayan, G. J.} } @article { ISI:000341230100001, title = {Time and temperature effects on the digestive ripening of gold nanoparticles: is there a crossover from digestive ripening to ostwald ripening?}, journal = {Langmuir}, volume = {30}, number = {34}, year = {2014}, month = {SEP}, pages = {10143-10150}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The effects of time and temperature on the gold nanoparticle sizes obtained by digestive ripening have been investigated. In digestive ripening, a polydisperse colloid, upon refluxing with a surface-active ligand in a solvent, gets converted to a nearly monodisperse one. In this study, a polydisperse gold nanoparticle system was heated in 4-tert-butyltoluene with hexadecanethiol at different temperatures, viz., 60, 90, 120, 150, and 180 degrees C for different time periods, and the trends in particle size variations were recorded. At lower temperatures such as 60 and 90 degrees C, after the initial narrowing of the size distribution, the particle sizes remain constant even though the refluxing step is continued for 24 h, substantiating the prevalence of the digestive ripening process. However, at elevated temperatures (120, 150, and 180 degrees C) particle sizes grow continuously, indicating a deviation from the digestive ripening behavior to an Ostwald ripening-type phenomenon.

}, issn = {0743-7463}, doi = {10.1021/la500914j}, author = {Sahu, Puspanjali and Bhagavatula L. V. Prasad} } @article { ISI:000345975300012, title = {Titania nanoparticles stabilized HPA in SBA-15 for the intermolecular hydroamination of activated olefins}, journal = {ChemCatChem}, volume = {6}, number = {12}, year = {2014}, month = {DEC}, pages = {3347-3354}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

A liquid phase hydroamination (HA) of alpha,beta-ethylenic compounds with amines was investigated with TiO2 nanoparticles stabilized 12-tungstophosphoric acid (TPA) in SBA-15. The catalysts were prepared by wet impregnation of TPA/TiO2 nanoparticles into the SBA-15 and calcined at different temperatures. The characterization results reveal that the textural properties and the acidity of the prepared catalysts can be finely controlled with the simple adjustment of the calcination temperature and the structure of the support, decorated with the TiO2 and TPA nanoparticles, was intact even after the modification. The prepared catalysts were investigated for HA of ethyl acrylate with different aromatic and aliphatic amines over a wide range of reaction conditions to optimize the yield and the selectivity of product. It was found that this process is 100\% atom efficient and the catalytic performance depended significantly on the loading of TPA over the catalyst and the calcination temperature. Under optimized reaction conditions, the best catalyst, 15 wt\% TPA/22.4 wt\% TiO2/SBA-15 calcined at 1123 K, offered the highest conversion of p-ethylaniline (70\%) with 100\% chemo-selectivity to the anti-Markovnikov product, i.e., the mono-addition product. The reaction was heterogeneously catalyzed and no contribution from leached TPA into the reaction was observed.

}, keywords = {heteropoly acids, hydroamination, mesoporous materials, nanocatalysts}, issn = {1867-3880}, doi = {10.1002/cctc.201402449}, author = {Sawant-Dhuri, Dhanashri and Balasubramanian, Veerappan V. and Ariga, Katsuhiko and Park, Dae-Hwan and Choy, Jin-Ho and Cha, Wang Soo and Al-deyab, Salem S. and Halligudi, Shivappa B. and Vinu, Ajayan} } @conference { ISI:000358999700317, title = {To study non linear features in circadian heart rate variability amongst healthy subjects}, booktitle = {2014 International Conference on Advances in Computing, Communications and Informatics (ICACCI)}, year = {2014}, note = {3rd International Conference on Advances in Computing, Communications and Informatics (ICACCI), New Delhi, INDIA, SEP 24-27, 2014}, month = {SEP}, pages = {1921-1927}, publisher = {IEEE, 345 E 47th ST, New York, NY 10017 USA}, organization = {IEEE, 345 E 47th ST, New York, NY 10017 USA}, address = {New Delhi, India}, abstract = {

ECG signal is used for diagnosis of ailments of heart. HRV is used as a predictive and prognostic marker of autonomic dis-functioning. ANS is known to influence heart and any dis-functioning of this system leads to cardiac disorders. ANS has endogenous circadian rhythm. Circadian rhythms are responsible for physical, mental and behavioral changes that follow a roughly 24-hour cycle. Previous studies have shown large inter and intra individual differences in HRV which has lead to difficulties in establishing standard norms. Therefore the aim of our study is to establish a brief protocol for HRV analysis where we will be able to extract features in shorter duration of recording, representative of 24 hour fluctuations in HRV. In this paper we have studied different linear as well as non-linear techniques to analyze circadian HRV. 24 hour ECG recording of 15 subjects using Minimum Activity Protocol subjected for HRV analysis.

}, keywords = {Circadian Rhythm, Correlation Dimensions, DFA, ECG, HRV}, isbn = {978-1-4799-3080-7}, author = {Tajane, Kapil and Pitale, Rahul and Phadke, Leena and Joshi, Aniruddha and Umale, Jayant} } @article { ISI:000341938100024, title = {Total syntheses of D-allo-1-deoxynojirimycin and L-talo-1-deoxynojirimycin via reductive cyclization}, journal = {RSC Advances}, volume = {4}, number = {77}, year = {2014}, month = {AUG}, pages = {40852-40858}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Synthesis of a polyhydroxypiperidine framework for L-talo-1-deoxynojirimycin and D-allo-1-deoxynojirimycin was achieved from L-tartaric acid by employing flash dihydroxylation and reductive lactamisation as the key steps.

}, issn = {2046-2069}, doi = {10.1039/c4ra06884j}, author = {Chavan, Subhash P. and Dumare, Nilesh B. and Pawar, Kailash P.} } @article { ISI:000336844400011, title = {Total synthesis of an anticancer norsesquiterpene alkaloid isolated from the fungus flammulina velutipes}, journal = {Organic \& Biomolecular Chemistry}, volume = {12}, number = {24}, year = {2014}, month = {APR}, pages = {4098-4103}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The first total synthesis of a norsesquiterpene alkaloid (R)-8-hydroxy-4,7,7-trimethyl-7,8-dihydrocyclo-penta[e]isoindole-1,3(2 H,6H)-dione, isolated from the mushroom-forming fungus Flammulina velutipes, in both racemic and enantiomeric pure forms, is reported. The (-)-enantiomer of the natural product has been synthesized from the D-(-)-pantolactone chiral pool. The synthesis features a one-pot, three-step reaction sequence comprising an enyne RCM/Diels-Alder/aromatization to construct the desired indane skeleton present in the natural product. Our synthesis further confirms the assigned structure and absolute configuration of the natural product.

}, issn = {1477-0520}, doi = {10.1039/c4ob00300d}, author = {Kashinath, K. and Jadhav, Prakash D. and Reddy, D. Srinivasa} } @article { ISI:000346037500028, title = {Total synthesis of deoxy-solomonamide B by mimicking biogenesis}, journal = {Organic Letters}, volume = {16}, number = {23}, year = {2014}, month = {DEC}, pages = {6148-6151}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A total synthesis of Deoxy-solomonamide B was accomplished starting from tryptophan in an efficient manner by mimicking the proposed biogenetic route. The present synthesis utilizes a crotylation, oxidative cleavage of the indole moiety, and macrolactamization as key steps. The use of the indole nucleus as a masked anthranilic acid unit paves the way for the easy synthesis of related macrocycles and natural products where the ortho-acyl aniline moiety is embedded into them, which otherwise is difficult to synthesize.

}, issn = {1523-7060}, doi = {10.1021/ol503011g}, author = {Vasudevan, N. and Kashinath, K. and Reddy, D. Srinivasa} } @article { ISI:000344204600027, title = {Total synthesis of mangiferaelactone}, journal = {Tetrahedron Letters}, volume = {55}, number = {45}, year = {2014}, month = {NOV}, pages = {6263-6265}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Herein we document the first total synthesis of mangiferaelactone and thus establish its absolute configuration. The central nonenolide ring was constructed using ring closing metathesis and Yamaguchi esterification. The key alcohol fragment was synthesized by the Bernet-Vasella fragmentation of C-ribofuranoside. (C) 2014 Elsevier Ltd. All rights reserved.

}, keywords = {Bernet-Vasella fragmentation, Nonenolide, Ring closing metathesis, Total synthesis, Yamaguchi protocol}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2014.09.084}, author = {Vadhadiya, Paresh M. and Ramana, C. V.} } @article { ISI:000340517200050, title = {Total synthesis of (+/-)-nardoaristolone B and its analogues}, journal = {Organic Letters}, volume = {16}, number = {16}, year = {2014}, month = {AUG}, pages = {4252-4255}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The first total synthesis of nardoaristolone B, a nor-sesquiterpenoid with an unusual fused ring system and having protective effects on the injury of neonatal rat cardiomyocytes, has been accomplished. Stereoselective synthesis of its novel analogues inlcuding exo-cyclopropyl ring fusion is also part of this disclosure. In addition, an alternate and more efficient one-step method to make a 3/5/6 tricyclic ring system using the Robinson annulation method has been developed toward the generation of a library of compounds around this skeleton.

}, issn = {1523-7060}, doi = {10.1021/ol501949r}, author = {Handore, Kishor L. and Reddy, D. Srinivasa} } @article { ISI:000336191600002, title = {Total synthesis of naturally occurring cephalosporolides E/F}, journal = {Tetrahedron}, volume = {70}, number = {23}, year = {2014}, month = {JUN}, pages = {3653-3656}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A modular total synthesis of cephalosporolides E/F featuring sequential epoxide-alkyne coupling and subsequent highly regioselective gold catalyzed alkynolcycloisomerizatio of the resulting alkynetetrol to construct the central spiroketal core has been documented. (C) 2014 Elsevier Ltd. All rights reserved.

}, keywords = {Alkynetetrol, Cephalosporolide, Epoxide-alkyne coupling, Gold catalysis, Spiroketalization}, issn = {0040-4020}, doi = {10.1016/j.tet.2014.04.026}, author = {Kona, Chandrababu Naidu and Ramana, C. V.} } @article { ISI:000336248900015, title = {Total synthesis of the putative structure of xylarinol B}, journal = {Chemistry-An Asian Journal}, volume = {9}, number = {6}, year = {2014}, month = {JUN}, pages = {1557-1562}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

The total synthesis of the putative structure of xylarinolB is described and the need to revise its structure is demonstrated. The central benzoxepine skeleton was constructed by employing a cobalt-mediated bimolecular [2+2+2] Reppe-Vollhardt alkyne cycloaddition reaction.

}, keywords = {Chiral pool, cobalt, Natural products, structure elucidation, Total synthesis}, issn = {1861-4728}, doi = {10.1002/asia.201301647}, author = {More, Atul A. and Ramana, Chepuri V.} } @article { ISI:000337074700019, title = {Towards a sustainable and near ambient DeNO(x) under lean burn conditions: a revisit to no reduction on virgin and modified pd(111) surfaces}, journal = {ACS Catalysis}, volume = {4}, number = {6}, year = {2014}, month = {JUN}, pages = {1801-1811}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Catalytic conversion of NO in the presence of H-2 and O-2 has been studied on Pd(111) surfaces, by using a molecular beam instrument with mass spectrometry detection, as a function of temperature and reactants composition. N-2 and H2O are the major products observed, along with NH3 and N2O minor products under all conditions studied. Particular attention has been paid to the influence of O-2 addition toward NO dissociation. Although O-2-rich compositions were found to inhibit the deNO(x) activity of the Pd catalyst, some enhancement in NO reduction to N-2 was also observed up to a certain O-2 content. The reason for this behavior was determined to be the effective consumption of the H-2 in the mixture by the added O-2 and O atoms from NO dissociation. NO was proven to compete favorably against O-2 for the consumption of H-2, especially \<= 550 K, to produce N-2 and H2O. Compared with other elementary reaction steps, a slow decay observed with the 2H + 0 -\> H2O step under SS beam oscillation conditions demonstrates its contribution to the rate-limiting nature of the overall reaction. Pd(111) surfaces modified with O atoms in the subsurface (Md-Pd(111)) induces steady-state NO reduction at near-ambient temperatures (325 K) and opens up a possibility to achieve room temperature emission control. A 50\% increase in the reaction rates was observed at the reaction maximum on Md-Pd(111), as compared with virgin surfaces. Oxygen adsorption is severely limited below 400 K, and effective NO + H-2 reaction occurs on Md-Pd(111) surfaces. Valence band photoemission with a UV light source (He I) under different oxygen pressures with APPES clearly identified the characteristics of the Md-Pd(111) surfaces and PdO. The electron-deficient or cationic nature of Md-Pd(111) surfaces enhances the NO dissociation and inhibits oxygen chemisorption \<= 400 K under lean-burn conditions.

}, keywords = {deNO(x), heterogeneous catalysis, Hydrogen, lean burn, molecular beam, nitric oxide, Palladium, surface modification}, issn = {2155-5435}, doi = {10.1021/cs500342a}, author = {Roy, Kanak and Jain, Ruchi and Gopinath, Chinnakonda S.} } @article { ISI:000345455100014, title = {Towards efficient synthesis of sugar alcohols from mono- and poly-saccharides: role of metals, supports \& promoters}, journal = {Green Chemistry}, volume = {16}, number = {12}, year = {2014}, month = {AUG}, pages = {4944-4954}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

{Biomass derived sugar alcohols (xylitol, arabitol) find numerous uses in the food, oral hygiene and pharmaceutical industries. Their direct synthesis from poly-saccharides, however, still remains an immense challenge. In this study, we demonstrate in detail the effects of metals, supports and promoters in enhancing the yields of sugar alcohols from mono- and poly-saccharides. We undertook synthesis of bimetallic catalysts, M-M{\textquoteright}/S (M

}, issn = {1463-9262}, doi = {10.1039/c4gc01264j}, author = {Tathod, Anup P. and Dhepe, Paresh Laxmikant} } @article { ISI:000339367300057, title = {Transition-metal-free C-S bond formation: a facile access to aryl sulfones from sodium sulfinates via arynes}, journal = {Organic Letters}, volume = {16}, number = {14}, year = {2014}, month = {JUL}, pages = {3836-3839}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Sulfones have been attractive targets for synthetic organic chemists owing to their immense applications in medicinal, material, and synthetic chemistry. In this context, an efficient transition-metal-free process has been demonstrated, wherein a broad range of alkyl/aryl/heteroaryl sodium sulfinates react with varyingly substituted aryne precursors (o-silyl aryl triflates) under mild reaction conditions to afford structurally diverse sulfones in good to excellent yields.

}, issn = {1523-7060}, doi = {10.1021/ol5018646}, author = {Pandya, Virat G. and Mhaske, Santosh B.} } @article { ISI:000336158700036, title = {Triple nanocomposites of CoMn2O4, Co3O4 and reduced graphene oxide for oxidation of aromatic alcohols}, journal = {Catalysis Science \& Technology}, volume = {4}, number = {6}, year = {2014}, month = {MAY}, pages = {1771-1778}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A composite of reduced graphene oxide (RGO) with oxides of manganese and cobalt together was prepared by a solvothermal method. During synthesis, both the reduction of graphene oxide as well as the growth of nanorod shaped CoMn2O4 and Co3O4 occurred simultaneously having a crystallite size of similar to 8 nm calculated from X-ray diffraction (XRD). The as-obtained triple nanocomposite material designated as RGO-MnCoO exhibited excellent activity for the liquid phase aerobic oxidation of aromatic alcohols under base-free conditions selectively giving the corresponding aldehydes (\>85\%). RGO loading was varied in the range of 1-10\%, among which 1\% RGO-MnCoO showed maximum catalytic activity enhancement of 24\% as compared to the bare mixed oxide (MnCo-MO) for the oxidation of vanillyl alcohol. HR-TEM of RGO-MnCoO revealed that it was a composite material having uniform nanotubes of similar to 25 nm length and 6 nm diameter with a fringe pattern showing the (103) and (004) planes and lattice spaces of 0.26 nm and 0.22 nm, respectively, for the spinel CoMn2O4. The detailed studies on the morphology, size and composition of the as-prepared RGO-MnCoO nanocomposite by XRD, XPS, N-2-adsorption/desorption and O-2-TPD techniques were used to understand the role of RGO in the enhancement of catalytic activity for oxidation reaction.

}, issn = {2044-4753}, doi = {10.1039/c3cy01025b}, author = {Jha, Ajay and Mhamane, Dattakumar and Suryawanshi, Anil and Joshi, Sameer M. and Shaikh, Parvez and Biradar, Narayan S. and Ogale, Satishchandra and Rode, Chandrashekhar V.} } @article { ISI:000342064100002, title = {Tryptophan environment and functional characterization of a kinetically stable serine protease containing a polyproline II fold}, journal = {Journal of Fluorescence}, volume = {24}, number = {5}, year = {2014}, month = {SEP}, pages = {1363-1370}, publisher = {SPRINGER/PLENUM PUBLISHERS}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

The single tryptophan residue from Nocardiopsis sp. serine protease (NprotI) was studied for its microenvironment using steady state and time-resolved fluorescence. The emission maximum was observed at 353 nm with excitation at 295 nm indicating tryptophan to be solvent exposed. Upon denaturation with 6 M guanidinum thiocyanate (GuSCN) the emission maxima was shifted to 360 nm. Solute quenching studies were performed with neutral (acrylamide) and ionic (I- and Cs+) quenchers to probe the exposure and accessibility of tryptophan residue of the protein. Maximum quenching was observed with acrylamide. In the native state, quenching was not observed with Cs+ indicating presence of only positively charged environment surrounding tryptophan. However; in denatured protein, quenching was observed with Cs+, indicating charge reorientation after denaturation. No quenching was observed with Cs+ even at pH 1.0 or 10.0; while at acidic pH, a higher rate of quenching was observed with KI. This indicated presence of more positive charge surrounding tryptophan at acidic pH. In time resolved fluorescence measurements, the fluorescence decay curves could be best fitted to monoexponential pattern with lifetimes of 5.13 ns for NprotI indicating one conformer of the trp. Chemical modification studies with phenyl glyoxal suggested presence of Arg near the active site of the enzyme. No inhibition was seen with soyabean trypsin and limabean inhibitors, while, CanPI uncompetitively inhibited NprotI. Various salts from Hofmeister series were shown to decrease the activity and PPII content of NprotI.

}, keywords = {Fluorescence quenching, Hofmeister series, Nocardiopsis, Serine protease, Tryptophan}, issn = {1053-0509}, doi = {10.1007/s10895-014-1445-5}, author = {Rohamare, Sonali B. and Gaikwad, Sushama M.} } @article { ISI:000342117600019, title = {Tuning the regioselectivity of gold-catalyzed internal nitroalkyne redox: a cycloisomerization and [3+2]-cycloaddition cascade for the construction of spiro-pseudoindoxyl skeleton}, journal = {Organic Letters}, volume = {16}, number = {18}, year = {2014}, month = {SEP}, pages = {4766-4769}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A simple domino process for the construction of the tricyclic core present in the spiro-pseudoindoxyl natural products has been developed. This involves two intramolecular events: the Au-catalyzed nitroalkyne redox leading to isatogen and its subsequent [3 + 2]-cycloaddition with a suitably positioned olefin. The option to modulate the size of the spiro-annulated ring, which is an important variable in this class of natural products, has been explored. Overall, this process molds a linear precursor into a tricyclic system with complete step, atom, and redox economy.

}, issn = {1523-7060}, doi = {10.1021/ol502213w}, author = {Kumar, Chepuri V. Suneel and Ramana, Chepuri V.} } @article { ISI:000331774700017, title = {Two-in-one: inherent anhydrous and water-assisted high proton conduction in a 3D metal-organic framework}, journal = {Angewandte Chemie-International Edition}, volume = {53}, number = {10}, year = {2014}, month = {MAR}, pages = {2638-2642}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

The development of solid-state proton-conducting materials with high conductivity that operate under both anhydrous and humidified conditions is currently of great interest in fuel-cell technology. A 3Dmetal-organic framework (MOF) with acid-base pairs in its coordination space that efficiently conducts protons under both anhydrous and humid conditions has now been developed. The anhydrous proton conductivity for this MOF is among the highest values that have been reported for MOF materials, whereas its water-assisted proton conductivity is comparable to that of the organic polymer Nafion, which is currently used for practical applications. Unlike other MOFs, which conduct protons either under anhydrous or humid conditions, this compound should represent a considerable advance in the development of efficient solid-state proton-conducting materials that work under both anhydrous and humid conditions.

}, keywords = {conducting materials, fuel cells, metal-organic frameworks, porous materials, proton conduction}, issn = {1433-7851}, doi = {10.1002/anie.201309077}, author = {Nagarkar, Sanjog S. and Unni, SreeKuttan M. and Sharma, Amitosh and Kurungot, Sreekumar and Ghosh, Sujit K.} } @article { ISI:000345295000016, title = {Two-phase flow in metal monoliths: hydrodynamics and liquid-liquid extraction}, journal = {Canadian Journal of Chemical Engineering}, volume = {92}, number = {12}, year = {2014}, month = {DEC}, pages = {2166-2175}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

This work aims to explore the application of metal monoliths as a scale-up option for efficient liquid-liquid extraction. The pressure drop, mass transfer and residence time distribution are measured for low Ca (approximate to 10(-5)) with monoliths having three different cell densities. The cross-over section between two monoliths was seen to enhance mixing in the column. However, the RTD of two-phase liquid-liquid up-flow was inferior to the single phase RTD. For higher cell density substrates, the cross-over zones seem to cause trapping of slugs due to non-superimposing channel ends. Relatively high shear rates through the film of continuous phase helped enhance the mass transfer rates, thereby helping to achieve the desired extraction in a short column. The entrance sections and cross-over zones between the monoliths adversely affected the extraction for higher cell density monoliths. The analysis of data supports use of low cell density monolith for better performance and scale up.

}, keywords = {capillary, hydrodynamics, liquid-liquid extraction, monolith, slug flow}, issn = {0008-4034}, doi = {10.1002/cjce.22081}, author = {Deshpande, Jaydeep B. and Gosavi, Abha and Kulkarni, Amol A.} } @article { ISI:000354108200006, title = {Tailor made ionic liquids: catalyst and media for organic transformations}, journal = {Current Organic Chemistry}, volume = {19}, number = {8}, year = {2015}, month = {FEB}, pages = {728-742}, publisher = {BENTHAM SCIENCE PUBL LTD}, address = {EXECUTIVE STE Y-2, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB EMIRATES}, abstract = {

Ionic liquids are considered as one of the safe, green and environmentally benign solvents/catalysts for many organic reactions. Particularly, imidazolium based ionic liquids attracted much attention in basic as well as applied research. The major role of these ionic liquids is the replacement of the existing corrosive solvents, which are largely used in most of the organic processes and make these processes more eco-friendly. Recent report reveals the importance of imidazolium based ionic liquids, supported on silica gel or polystyrene in catalysis. The solid supports have well versed properties such as easy anchoring of ionic liquid, chemically and mechanically very stable and inert in nature. These ionic liquids can be tailored either by covalent attachment or simple deposition of the ionic liquid on the surface of the support. Both approaches showed enhanced reactivity and selectivity for various reactions. In this review, we made an attempt to review the recent reports related to synthesis and applications of tailor made ionic liquids and their use as catalyst in Aldol, Friedel-Crafts alkylation, hydroformylation, nucleophilic substitution and biomass transformation reactions.

}, keywords = {Green solvent, heterogeneous catalyst, organic transformation, sustainable process, task-specific ionic liquids}, issn = {1385-2728}, author = {Chandra, Prakash and Shinde, Sandip S. and Biradar, Ankush V.} } @article { ISI:000354438400001, title = {Tale of RNA G-quadruplex}, journal = {Organic \& Biomolecular Chemistry}, volume = {13}, number = {20}, year = {2015}, month = {APR}, pages = {5570-5585}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

G-quadruplexes are non-canonical secondary structures found in guanine rich regions of DNA and RNA. Reports have indicated the wide occurrence of RNA G-quadruplexes across the transcriptome in various regions of mRNAs and non-coding RNAs. RNA G-quadruplexes have been implicated in playing an important role in translational regulation, mRNA processing events and maintenance of chromosomal end integrity. In this review, we summarize the structural and functional aspects of RNA G-quadruplexes with emphasis on recent progress to understand the protein/trans factors binding these motifs. With the revelation of the importance of these secondary structures as regulatory modules in biology, we have also evaluated the various advancements towards targeting these structures and the challenges associated with them. Apart from this, numerous potential applications of this secondary motif have also been discussed.

}, issn = {1477-0520}, doi = {10.1039/c4ob02681k}, author = {Agarwala, Prachi and Pandey, Satyaprakash and Maiti, Souvik} } @article { ISI:000350754400004, title = {Target cum flexibility: synthesis of indolo[1,2-b]isoquinoline derivatives via cobalt-catalyzed [2+2+2] cyclotrimerization}, journal = {Synlett}, volume = {26}, number = {5}, year = {2015}, month = {MAR}, pages = {604-608}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

A modular approach for the synthesis of small molecules having the unnatural 6,11-dihydroindolo[1,2-b]isoquinoline tetracyclic core has been documented. An acid-catalyzed Friedel-Crafts-type C2-alkylation of N-propargyl indole with a suitably activated alkynol has been used to prepare the key indole-derived diynes. The cobalt-catalyzed [2+2+2] cyclotrimerization of these diynes has been studied with various internal/terminal alkynes and with nitriles.

}, keywords = {2-b]-isoquinoline, cobalt, Indole, indolo[1, Pyridine, [2+2+2] cyclotrimerization}, issn = {0936-5214}, doi = {10.1055/s-0034-1379950}, author = {Swami, Anuradha and Ramana, Chepuri V.} } @article { ISI:000362437900092, title = {Targeting a chemorefractory COLO205 (BRAF V600E) cell line using substituted benzo[alpha]phenoxazines}, journal = {RSC Advances}, volume = {5}, number = {100}, year = {2015}, month = {SEP}, pages = {82549-82563}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Mutational activations of the oncogene BRAF (especially BRAF V600E) result in a poor prognosis for colon cancer patients and are associated with chemoresistance rendering them refractory to treatment. The development of novel bioactive compounds with specific targeting abilities under such conditions is an urgent need in drug discovery. In this report we synthesize and characterize three fluorescent benzo[alpha]phenoxazine compounds (10R-benzo[alpha]phenoxazine-5-one, 1B; R = Cl, 2B; R = CH3, 3B; R = H) and their anticancer activities are evaluated in a COLO205 cell line. All three compounds with a log P value around 2 were cell permeable. However, 2B and 3B showed specific cytotoxicity in a malignant COLO205 cell line with a BRAF mutation (V600E) in comparison to a non-malignant wild-type BRAF HEK293T cell line. From further cell-based assays (cell cycle analysis, DNA fragmentation and caspase activation), we conclude that 2B and 3B treatment-induced selective cell death by inducing cell cycle arrest at the G0/G1 phase and caspase-mediated apoptosis (activation of the intrinsic and extrinsic pathways) are present only in BRAF V600E COLO205 cells. Further studies in the drug discovery pipeline might help develop these benzo[alpha]phenoxazines as promising chemotherapeutics for such refractory mutated cancers.

}, issn = {2046-2069}, doi = {10.1039/c5ra14949e}, author = {Pal, Sanjima and Konkimalla, V. Badireenath and Kathawate, Laxmi and Rao, Soniya S. and Gejji, Shridhar P. and Puranik, Vedavati G. and Weyhermueller, Thomas and Salunke-Gawali, Sunita} } @article { ISI:000347890900011, title = {Targeting dormant tuberculosis bacilli: results for molecules with a novel pyrimidone scaffold}, journal = {Chemical Biology \& Drug Design}, volume = {85}, number = {2}, year = {2015}, month = {FEB}, pages = {201-207}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Our inability to completely control TB has been due in part to the presence of dormant mycobacteria. This also renders drug regimens ineffective and is the prime cause of the appearance of drug-resistant strains. In continuation of our efforts to develop novel antitubercular agents that especially target dormant mycobacteria, a set of 55 new compounds belonging to the pyrimidone class were designed on the basis of CoMFA and CoMSIA studies, and these were synthesized and subsequently tested against both the dormant and virulent BCG strain of M.tuberculosis. Some novel compounds have been identified which selectively inhibit the dormant tuberculosis bacilli with significantly low IC50 values. This study reports the second molecule after TMC-207, having the ability to inhibit tuberculosis bacilli exclusively in its dormant phase. The synthesis was accomplished by a modified multicomponent Biginelli reaction. A classification model was generated using the binary QSAR approach - recursive partitioning (RP) to identify structural characteristics related to the activity. Physicochemical, structural, topological, connectivity indices, and E-state key descriptors were used for generation of the decision tree. The decision tree could provide insights into structure-activity relationships that will guide the design of more potent inhibitors.

}, keywords = {Antitubercular activity, dormant tuberculosis bacilli, pyrimidones, recursive partitioning}, issn = {1747-0277}, doi = {10.1111/cbdd.12373}, author = {Joshi, Rohit R. and Barchha, Avinash and Khedkar, Vijay M. and Pissurlenkar, Raghuvir R. S. and Sarkar, Sampa and Sarkar, Dhiman and Joshi, Rohini R. and Joshi, Ramesh A. and Shah, Anamik K. and Coutinho, Evans C.} } @article { ISI:000362460800031, title = {Temperature and magnetic field-assisted switching of magnetization and observation of exchange bias in YbCrO3 nanocrystals}, journal = {Inorganic Chemistry}, volume = {54}, number = {19}, year = {2015}, month = {OCT}, pages = {9509-9516}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

In this paper, we demonstrate an interesting feature in YbCrO3 (YCO) nanocrystals, in which the material shows temperature and external magnetic field-assisted switching (a complete sign reversal) of zero field cooled magnetization (M-ZFC) and observation of exchange bias (EB) as a result of competing spin interaction at low temperature. This feature can be applied in nonvolatile memories, where, simply by changing the magnitude of the H-ext and T, the polarity of the magnetization can be switched between negative and positive. We also observed negative magnetization in YCO. Our results showed that, below its Neel temperature (T-N approximate to 119 K), the M-ZFC crosses over to negative sign for H \< 1000 Oe. At 60 K, YCO showed a significant negative M-ZFC approximate to -0.05 emu/g (at 100 Oe) due to the competing effects of Yb3+, Cr3+ spins, thermal activation energy, and Hext. At further lower temperatures, the M-ZFC showed a crossover to positive values, and the crossover temperature showed the dependence on H-ext (similar to 19 K for 100 Oe curve). The YCO also showed H-ext T-dependent H-EB, which changed its sign with T. The observed T-dependent sign reversal in the EB was closely associated with the sign reversal of M-ZFC. The symmetric shift in field-cooled isothermal hysteresis curves confirmed that the observed EB was not due to the unsaturated minor loop. The training cycle further confirmed that the H-EB value decreased to similar to 2\% of the initial value of observed EB, which was very small compared to the observed H-EB in YCO, which indicated stable spin configuration at the locally formed ferromagnetic/antiferromagnetic interface.

}, issn = {0020-1669}, doi = {10.1021/acs.inorgchem.5b01448}, author = {Gupta, Preeti and Poddar, Pankaj} } @article { ISI:000351420300028, title = {Temperature dependent phonon shifts in few-layer black phosphorus}, journal = {ACS Applied Materials \& Interfaces}, volume = {7}, number = {10}, year = {2015}, month = {MAR}, pages = {5857-5862}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Atomically thin two-dimensional (2D) sheets of black phosphorus have attracted much attention due to their potential for future nanoelectronic and photonics device applications. Present investigations deal with the temperature dependent phonon shifts in a few-layer black phosphorus nanosheet sample prepared using micromechanical exfoliation on a 300 nm SiO2/Si substrate. The temperature dependent Raman spectroscopy experiments were carried out on a few-layer black phosphorus sample, which depicts softening of Ag-1 B-2g, and A(g)(2) modes as temperature increases from 77 to 673 K. The calculated temperature coefficients for Ag-1, B-2g, and A(g)(2) modes of the few-layer black phosphorus nanosheet sample were observed to be -0.01, -0.013, and -0.014 cm(-1) K-1, respectively. The temperature dependent softening modes of black phosphorus results were explained on the basis of a double resonance process which is more active in an atomically thin sample. This process can also be fundamentally pertinent in other promising and emerging 2D ultrathin layer and heterostructured materials.

}, keywords = {black phosphorus, layered materials, phonon vibrations, Raman spectroscopy, thermal effect}, issn = {1944-8244}, doi = {10.1021/am509056b}, author = {Late, Dattatray J.} } @article { ISI:000364355500044, title = {Temperature-dependent raman spectroscopy of titanium trisulfide (TiS3) nanoribbons and nanosheets}, journal = {ACS Applied Materials \& Interfaces}, volume = {7}, number = {43}, year = {2015}, month = {NOV}, pages = {24185-24190}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Titanium trisulfide (TiS3) has recently attracted the interest of the 2D community because it presents a direct bandgap of similar to 1.0 eV, shows remarkable photoresponse, and has a predicted carrier mobility up to 10000 cm(2) V-1 s(-1). However, a study of the vibrational properties of TiS3, relevant to understanding the electron-phonon interaction that can be the main mechanism limiting the charge carrier mobility, is still lacking. In this work, we take the first steps to study the vibrational properties of TiS3 through temperature-dependent Raman spectroscopy measurements of TiS3 nanoribbons and nanosheets. Our investigation shows that all the Raman modes linearly soften (red shift) as the temperature increases from 88 to 570 K due to anharmonic vibrations of the lattice, which also includes contributions from the lattice thermal expansion. This softening with the temperature of the TiS3 modes is more pronounced than that observed in other 2D semiconductors, such as MoS2, MoSe2, WSe2, and black phosphorus (BP). This marked temperature dependence of the Raman spectra could be exploited to determine the temperature of TiS3 nanodevices by using Raman spectroscopy as a noninvasive and local thermal probe. Interestingly, the TiS3 nanosheets show a stronger temperature dependence of the Raman modes than the nanoribbons, which we attribute to lower interlayer coupling in the nanosheets.

}, keywords = {2D semiconductors, layered materials, Raman spectroscopy, thermal effect, TiS3 nanoribbons, TiS3 nanosheets}, issn = {1944-8244}, doi = {10.1021/acsami.5b07492}, author = {Pawbake, Amit S. and Island, Joshua O. and Flores, Eduardo and Ramon Ares, Jose and Sanchez, Carlos and Ferrer, Isabel J. and Jadkar, Sandesh R. and van der Zant, Herre S. J. and Castellanos-Gomez, Andres and Late, Dattatray J.} } @article { ISI:000363023500010, title = {Temporal protein expression pattern in intracellular signalling cascade during T-cell activation: a computational study}, journal = {Journal of Biosciences}, volume = {40}, number = {4}, year = {2015}, month = {OCT}, pages = {769-789}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

Various T-cell co-receptor molecules and calcium channel CRAC play a pivotal role in the maintenance of cell{\textquoteright}s functional responses by regulating the production of effector molecules (mostly cytokines) that aids in immune clearance and also maintaining the cell in a functionally active state. Any defect in these co-receptor signalling pathways may lead to an altered expression pattern of the effector molecules. To study the propagation of such defects with time and their effect on the intracellular protein expression patterns, a comprehensive and largest pathway map of T-cell activation network is reconstructed manually. The entire pathway reactions are then translated using logical equations and simulated using the published time series microarray expression data as inputs. After validating the model, the effect of in silico knock down of co-receptor molecules on the expression patterns of their downstream proteins is studied and simultaneously the changes in the phenotypic behaviours of the T-cell population are predicted, which shows significant variations among the proteins expression and the signalling routes through which the response is propagated in the cytoplasm. This integrative computational approach serves as a valuable technique to study the changes in protein expression patterns and helps to predict variations in the cellular behaviour.

}, keywords = {Boolean model, co-receptors and CRAC channel, synchronous and asynchronous simulation, T-cell signalling pathway, temporal gene expression patterns}, issn = {0250-5991}, doi = {10.1007/s12038-015-9561-1}, author = {Ganguli, Piyali and Chowdhury, Saikat and Bhowmick, Rupa and Sarkar, Ram Rup} } @article { ISI:000358624200005, title = {Terahertz spectroscopy and solid-state density functional theory calculations of cyanobenzaldehyde isomers}, journal = {Journal of Physical Chemistry A}, volume = {119}, number = {29}, year = {2015}, month = {JUL}, pages = {7991-7999}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Spectral signatures in the terahertz (THz) frequency region are mainly due to bulk vibrations of the molecules. These resonances are highly sensitive to the relative position of atoms in a molecule as well as the crystal packing arrangement. To understand the variation of THz resonances, THz spectra (2-10 THz) of three structural isomers: 2-, 3-, and 4-cyanobenzaldehyde have been studied. THz spectra obtained from Fourier transform infrared (FTIR) spectrometry of these isomers show that the resonances are distinctly different especially below 5 THz. For understanding the intermolecular interactions due to hydrogen bonds, four molecule cluster simulations of each of the isomers have been carried out using the B3LYP density functional with the 6-31G(d,p) basis set in Gaussian09 software and the compliance constants are obtained. However, to understand the exact reason behind the observed resonances, simulation of each isomer considering the full crystal structure is essential. The crystal structure of each isomer has been determined using X-ray diffraction (XRD) analysis for carrying out crystal structure simulations. Density functional theory (DFT) simulations using CRYSTAL14 software, utilizing the hybrid density functional B3LYP, have been carried out to understand the vibrational modes. The bond lengths and bond angles from the optimized structures are compared with the XRD results in terms of root-mean-square-deviation (RMSD) values. Very low RMSD values confirm the overall accuracy of the results. The simulations are able to predict most of the spectral features exhibited by the isomers. The results show that low frequency modes (\<3 THz) are mediated through hydrogen bonds and are dominated by intermolecular vibrations.

}, issn = {1089-5639}, doi = {10.1021/acs.jpca.5b01942}, author = {Dash, Jyotirmayee and Ray, Shaurnik and Nallappan, Kathirvel and Kaware, Vaibhav and Basutkar, Nitin B. and Gonnade, Rajesh G. and Ambade, Ashootosh V. and Joshi, Kavita and Pesala, Bala} } @article { ISI:000362679300001, title = {Themed issue on {\textquoteleft}{\textquoteleft}Organic field-effect transistors: interfacial phenomena and electronic properties{\textquoteright}{\textquoteright}}, journal = {Physical Chemistry Chemical Physics}, volume = {17}, number = {40}, year = {2015}, month = {SEP}, pages = {26509-26511}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, issn = {1463-9076}, doi = {10.1039/c5cp90162f}, author = {Krishnamoorthy, K. and Facchetti, Antonio F. and Hu, Wenping and Bao, Zhenan} } @article { ISI:000354735600005, title = {Theoretical insight of nitric oxide adsorption on neutral and charged Pd-n (n=1-5) clusters}, journal = {International Journal of Quantum Chemistry}, volume = {115}, number = {13}, year = {2015}, month = {JUL}, pages = {837-845}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Density functional theory (DFT) calculations within the framework of generalized gradient approximation have been used to systematically investigate the adsorption of nitric oxide (NO) molecule on neutral, cationic, and anionic Pd-n (n=1-5) clusters. NO coordinate to one Pd atom of the cluster by the end-on mode, where the tilted end-on structure is more favorable due to the additional electron in the * orbital. On the contrary, in the neutral and cationic Pd-2 system, NO coordinates to the bridge site of cluster preferably by the side-on mode. Charge transfer between Pd clusters and NO molecule and the corresponding weakening of NO bond is an essential factor for the adsorption. The NO stretching frequency follow the order of cationic\>neutral\>anionic. Binding energy of NO on anionic clusters is found to be greater than those of neutral and cationic clusters. (c) 2015 Wiley Periodicals, Inc.

}, keywords = {Density functional theory, electronic property, geometric configuration, NO adsorption, small palladium cluster}, issn = {0020-7608}, doi = {10.1002/qua.24914}, author = {Begum, Pakiza and Gogoi, Pranjal and Mishra, Bhupesh Kumar and Deka, Ramesh Chandra} } @article { ISI:000346236000077, title = {Thermodynamic and kinetic characterization of transmembrane helix association}, journal = {Physical Chemistry Chemical Physics}, volume = {17}, number = {2}, year = {2015}, month = {NOV}, pages = {1390-1398}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The transient dimerization of transmembrane proteins is an important event in several cellular processes and computational methods are being increasingly used to quantify their underlying energetics. Here, we probe the thermodynamics and kinetics of a simple transmembrane dimer to understand membrane protein association. A multi-step framework has been developed in which the dimerization profiles are calculated from coarse-grain molecular dynamics simulations, followed by meso-scale simulations using parameters calculated from the coarse-grain model. The calculated value of Delta G(assoc) is approx. -20 kJ mol(-1) and is consistent between three methods. Interestingly, the meso-scale stochastic model reveals low dimer percentages at physiologically-relevant concentrations, despite a favorable Delta G(assoc). We identify generic driving forces arising from the protein backbone and lipid bilayer and complementary factors, such as protein density, that govern self-interactions in membranes. Our results provide an important contribution in understanding membrane protein organization and linking molecular, nano-scale computational studies to meso-scale experimental data.

}, issn = {1463-9076}, doi = {10.1039/c4cp03732d}, author = {Pawar, Aiswarya B. and Deshpande, Sneha A. and Gopal, Srinivasa M. and Wassenaar, Tsjerk A. and Athale, Chaitanya A. and Sengupta, Durba} } @article { ISI:000363005100025, title = {Thermotropic liquid crystalline polyesters derived from bis-(4-hydroxybenzoyloxy)-2-methyl-1,4-benzene and aliphatic dicarboxylic acid chlorides}, journal = {Bulletin of Materials Science}, volume = {38}, number = {5}, year = {2015}, month = {SEP}, pages = {1301-1308}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

A series of thermotropic liquid crystalline polyesters derived from bis-(4-hydroxybenzoyloxy)-2-methyl-1,4-benzene(BHBOMB) and aliphatic dicarboxylic acid chlorides were investigated. All these polyesters were synthesized by interfacial polycondensation method and characterized by differential scanning calorimetry and wide-angle X-ray diffractometer. These polyesters consist of BHBOMB as a mesogenic diol and aliphatic diacid chlorides were used as flexible spacers. The length of oligomethylene units in polymer was varied from the trimethylene to the dodecamethylene groups. The transition temperatures and thermodynamic properties were studied for all these polymers. All these polyesters were soluble in chlorinated solvents such as chloroform, dichloromethane, dichloroethane, etc. More importantly, all these polyesters exhibited very large mesophase stability.

}, keywords = {dicarboxylic acid chloride, interfacial polycondensation, Liquid crystalline polyesters, rigid diol, thermotropic}, issn = {0250-4707}, author = {Mulani, Khudbudin Baban and Momin, Mohasin Shamshuddin and Ganjave, Nitin V. and Chavan, Nayaku} } @article { ISI:000366878300084, title = {Three-component coupling involving arynes, aromatic tertiary amines, and aldehydes via aryl-aryl amino group migration}, journal = {Organic Letters}, volume = {17}, number = {24}, year = {2015}, month = {DEC}, pages = {6270-6273}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The transition-Metal-free multicomponent coupling of arynes, aromatic tertiary amines, and aldehydes proceeding via the aryl to aryl amino group migration has been demonstrated. This protocol allows rapid access to ortho-functionalized tertiary amines in moderate to good yields. Moreover, activated ketones can also be used as the aldehyde Component in the present reaction. The similarity of the aryl-aryl tertiary amino group migration with the Smiles rearrangement is striking.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.5b03319}, author = {Bhojgude, Sachin Suresh and Baviskar, Dnyaneshwar R. and Gonnade, Rajesh G. and Biju, Akkattu T.} } @article { ISI:000364074300007, title = {Titanium superoxide - a stable recyclable heterogeneous catalyst for oxidative esterification of aldehydes with alkylarenes or alcohols using TBHP as an oxidant}, journal = {Organic \& Biomolecular Chemistry}, volume = {13}, number = {43}, year = {2015}, month = {SEP}, pages = {10631-10640}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Titanium superoxide efficiently catalysed the oxidative esterification of aldehydes with alkylarenes or alcohols, under truly heterogeneous conditions, to afford the corresponding benzyl and alkyl esters in excellent yields. Mechanistic studies have established that this {\textquoteleft}{\textquoteleft}one pot{\textquoteright}{\textquoteright} direct oxidative esterification process proceeds through a radical pathway, proven by a FTIR spectral study of a titanium superoxide-aldehyde complex as well as spin trapping experiments with TEMPO. The intramolecular version of this protocol has been successfully demonstrated in the concise synthesis of 3-butylphthalide, an anti-convulsant drug.

}, issn = {1477-0520}, doi = {10.1039/c5ob01586c}, author = {Dey, Soumen and Gadakh, Sunita K. and Sudalai, A.} } @article { ISI:000354211100055, title = {Tolbutamide induces conformational change and promotes albumin glycation}, journal = {RSC Advances}, volume = {5}, number = {50}, year = {2015}, month = {APR}, pages = {40070-40075}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Tolbutamide is a first generation sulfonylurea drug used for the treatment of type II diabetes. In the present study, the effect of tolbutamide on albumin conformation was investigated using BSA as a model protein. The binding of tolbutamide induced a conformational change in albumin, which was confirmed by thioflavin T assay, ANS assay, and CD spectroscopy. Computer simulations suggested that the binding of tolbutamide increases the solvent accessibility of lysine residues, the hotspots of glycation. Furthermore, the change in conformation of albumin facilitates increased glycation, which was observed by AGE specific fluorescence and the results were corroborated by mass spectrometric analysis. This study suggested that tolbutamide enhances albumin glycation by inducing conformational change in BSA and hence could be a potential risk factor if used for a prolonged period.

}, issn = {2046-2069}, doi = {10.1039/c5ra03839a}, author = {Bansode, Sneha B. and Batkulwar, Kedar B. and Warkad, Shrikant D. and Jana, Asis K. and Sengupta, Neelanjana and Kulkarni, Mahesh J.} } @article { ISI:000350763600017, title = {Total and semi-syntheses of antimicrobial thuggacin derivatives}, journal = {Chemistry-A European Journal}, volume = {21}, number = {11}, year = {2015}, month = {MAR}, pages = {4272-4284}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

The total and semi-synthesis of 13 new macrolactones derived from thuggacin, which is a secondary metabolite from the myxobacterium Sorangium cellulosum, are reported. The thuggacins have attracted much attention due to their strong antibacterial activity, particularly towards Mycobacterium tuberculosis. This study focuses on 1) thuggacin derivatives that cannot equilibrate by transacylation between the three natural thuggacins A-C, 2) the roles of the thiazole ring, and 3) the hexyl side chain at C2. Semi-synthetic O-methylation at C17 suppressed the transacylations without a substantial loss of antibacterial activity. Exchanging the C17-C25 side chain for simplified hydrophobic chains led to complete loss of antibacterial activity. Exchange of the thiazole by an oxazole ring or removal of the hexyl side chain at C2 had no substantial effect on the biological properties.

}, keywords = {antibiotics, lactones, Natural products, synthesis design, Total synthesis}, issn = {0947-6539}, doi = {10.1002/chem.201405874}, author = {Franke, Jana and Bock, Martin and Dehn, Richard and Fohrer, Joerg and Mhaske, Santosh B. and Migliorini, Antonella and Kanakis, Argyrios A. and Jansen, Rolf and Herrmann, Jennifer and Mueller, Rolf and Kirschning, Andreas} } @article { ISI:000364803200007, title = {Total syntheses and biological evaluation of (+/-)-botryosphaeridione, (+/-)-pleodendione, 4-epi-periconianone B, and analogues}, journal = {ACS Medicinal Chemistry Letters}, volume = {6}, number = {11}, year = {2015}, month = {NOV}, pages = {1117-1121}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The total syntheses of (+/-)-botryosphaeridione, (+/-)-pleodendione, (+/-)-hoaensieremodione, 4-epi-periconianone B, and their analogues have been accomplished for the first time. All the synthesized target compounds were screened in neural anti-inflammatory assays using LPS induced microglia cells (N9). Among them, compounds 1 and 21 were identified as potential lead compounds for further profiling.

}, keywords = {antineuroinflammatoty agents, bohyosphaeridione, Natural product, pleodendione, Total synthesis}, issn = {1948-5875}, doi = {10.1021/acsmedchemlett.5b00241}, author = {Handore, Kishor L. and Jadhav, Prakash D. and Hazra, Bibhabasu and Basu, Anirban and Reddy, D. Srinivasa} } @article { ISI:000352463200009, title = {Total synthesis and structural revision of mycalol, an anticancer natural product from the marine source}, journal = {Organic Letters}, volume = {17}, number = {7}, year = {2015}, month = {APR}, pages = {1652-1655}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The total synthesis of an anticancer (anaplastic thyroid) natural lipid mycalol has been accomplished for the first time. Synthesis of originally proposed structure necessitated the revision of structure in which the position of acetate group moved from C20 to C19 and a change in stereochemistry of the glycerol unit.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.5b00345}, author = {Seetharamsingh, B. and Rajamohanan, P. R. and Reddy, D. Srinivasa} } @article { ISI:000356549600021, title = {Total synthesis of (+)-petromyroxol}, journal = {Tetrahedron Letters}, volume = {56}, number = {25}, year = {2015}, month = {JUN}, pages = {3933-3935}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The total synthesis of (+)-petromyroxol establishing its absolute configuration has been accomplished. The strategy developed employs easily accessible carbohydrate building blocks and comprises flexible and scalable chemistry that allowed the synthesis of (+)-petromyroxol along with its three diastereomers varying the stereochemistry mainly at C5 and/or C6. (C) 2015 Elsevier Ltd. All rights reserved.

}, keywords = {Glucose diacetonide, Petromyroxol, Pheromone, Sea Lamprey, Total synthesis}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2015.04.129}, author = {Mullapudi, Venkanna Babu and Ramana, Chepuri V.} } @article { ISI:000358734800021, title = {Total synthesis of (+)-petromyroxol via tandem alpha-aminoxylation-allylation and asymmetric dihydroxylation-S(N)2 cyclization approach}, journal = {RSC Advances}, volume = {5}, number = {78}, year = {2015}, month = {JUL}, pages = {63311-63317}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The total synthesis of (+)-petromyroxol, a tetrahydrofuran (THF)-diol fatty acid, isolated from sea lamprey larvae (Petromyzon marinus) is reported. The present synthesis employs a tandem alpha-aminoxylationallylation, cross metathesis and tandem asymmetric dihydroxylation-S(N)2 cyclization as key steps.

}, issn = {2046-2069}, doi = {10.1039/c5ra10405j}, author = {Nookaraju, U. and Kumar, Pradeep} } @article { ISI:000352671600006, title = {Total synthesis of (R)-lipoic acid and (S)-lipoic acid via an Mn (III)-salen-catalyzed oxidative kinetic resolution}, journal = {Tetrahedron-Asymmetry}, volume = {26}, number = {5-6}, year = {2015}, month = {MAR}, pages = {281-287}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The asymmetric synthesis of both the antipodes of alpha-lipoic acid is described. The total synthesis of racemic and asymmetric lipoic acid is achieved from propane 1,3-diol. This work reports the use of Mn (III)-salen-catalyzed oxidative kinetic resolution as the key step to obtain enantiomerically pure (R)- and (S)-lipoic acid. The undesired product formed during the resolution can be recycled to achieve the desired isomer. (C) 2015 Elsevier Ltd. All rights reserved.

}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2015.02.001}, author = {Purude, Abhijeet N. and Pawar, Kailash P. and Patil, Niteen B. and Kalkote, Uttam R. and Chavan, Subhash P.} } @article { ISI:000352463200027, title = {Total synthesis of sinenside A}, journal = {Organic Letters}, volume = {17}, number = {7}, year = {2015}, month = {APR}, pages = {1724-1727}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The first total synthesis of norlignan glucoside sinenside A has been accomplished. An intramolecular acetalization reaction has been employed as the key skeletal construct to forge the central cyclic disaccharide core. The trans-1,2-diol configuration present in the cyclic disaccharide of this natural product is unique and has been addressed by setting this configuration at the beginning. A 1,2-orthoester group has been selected as a handle for both sp glycosidation and for differentiation of the C2{\textquoteright}-OH (that participates in the key acetalization reaction) of the sugar unit.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.5b00505}, author = {Vadhadiya, Paresh M. and Ramana, Chepuri V.} } @article { ISI:000360656100018, title = {Total synthesis of the natural product EBC-329}, journal = {Organic \& Biomolecular Chemistry}, volume = {13}, number = {36}, year = {2015}, month = {JUL}, pages = {9485-9491}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The first total synthesis of an anti-leukemic diterpene natural product EBC-329 (1) has been accomplished starting from readily available 6,6-dimethyl-3-oxabicyclo[3.1.0] hexane-2,4-dione (7). An efficient and general approach has been reported for the synthesis of EBC-329 in 13 steps with an overall yield of 10\%.

}, issn = {1477-0520}, doi = {10.1039/c5ob01276g}, author = {Thombal, Raju S. and Jadhav, Vrushali H.} } @article {45946, title = {Towards comprehension of complex chemical evolution and diversification of terpene and phenylpropanoid pathways in Ocimum species}, journal = {RSC Advances}, volume = {5}, year = {2015}, month = {NOV}, pages = {106886-106904}, type = {Article}, abstract = {

Ocimum species present a wide array of diverse secondary metabolites possessing immense medicinal and economic value. The importance of this genus is undisputable and exemplified in the ancient science of Chinese and Indian (Ayurveda) traditional medicine. Unlike several other plant species of Artemisia, Salvia, Catharanthus, Taxus, Mentha, etc. that are largely exploited, detailed characterization and identification of important metabolites from Ocimum species remained unexplored. Till date, most of the analyzed Ocimum species are predominantly rich in either phenylpropanoids or terpenoids. Metabolite data suggests domination of a unique set of signature compounds in all species. However, molecular pathways leading to the production, accumulation and metabolism of these compounds are poorly understood. The past few years have witnessed an upsurge in our understanding of the complex and intricately woven secondary metabolic pathways. Such information is generated through systematic analysis and correlation of metabolite profiling with transcriptomics data sets from different Ocimum species. The present review is aimed at integrating our current knowledge to understand the active secondary metabolic pathways, the key players in flux regulation including external stimuli, differential gene expression, transcription factors, microRNAs, enzyme promiscuity, etc. Extensive analysis of available data identifies events that may have contributed to evolve Ocimum species rich with a specific set of metabolites, thus, shedding light on pathway diversification. We believe that a better understanding of the multi-level regulation of intermediates and metabolites will help us harness the inherent diversity of Ocimum species optimally.

}, issn = {2046-2069}, doi = {10.1039/c5ra16637c}, author = {Singh, Priyanka and Kalunke, Raviraj M. and Giri, Ashok P.} } @proceedings {42928, title = {Transition metal di-chalcogenides and their nanocomposite prospective field emitters}, year = {2015}, month = {JUL}, pages = {98-99}, publisher = {IEEE, 345 E 47th ST, New York, NY 10017 USA}, address = {Guangzhou, Peoples R China}, abstract = {

Layered structured transition metal di-chalcogenides has attracted researchers as a substitute of graphene and its forms for various applications. In an attempt to explore field emission properties of these graphene analogues, synthesis and field emission behaviour of a few layered transition metal di-chalcogenides (TMDs) VS2, MoS2, MoO3 have been investigated at a base pressure of 1x 10(-8) mbar. Furthermore, to improve the field emission properties, composites with RGO and respective oxides were synthesized and compared with the pristine ones. The TMDs and their composites is synthesized employing hydrothermal synthesis route. The preliminary results show that these TMD{\textquoteright}s and their composites, when synthesized in a controlled manner, can serve as potential field emitters for future field emission based devices.

}, author = {Khare, Ruchita T. and More, Mahendra A. and Late, Dattatray J.} } @article { ISI:000363389400005, title = {Transition-metal-catalyzed hydrogen-transfer annulations: access to heterocyclic scaffolds}, journal = {Angewandte Chemie-International Edition}, volume = {54}, number = {38}, year = {2015}, month = {SEP}, pages = {11022-11034}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {

The ability of hydrogen-transfer transition-metal catalysts, which enable increasingly rapid access to important structural scaffolds from simple starting materials, has led to a plethora of research efforts on the construction of heterocyclic scaffolds. Transition-metal-catalyzed hydrogen-transfer annulations are environmentally benign and highly atom-economical as they release of water and hydrogen as by-product and utilize renewable feedstock alcohols as starting materials. Recent advances in this field with respect to the annulations of alcohols with various nucleophilic partners, thus leading to the formation of heterocyclic scaffolds, are highlighted herein.

}, issn = {1433-7851}, doi = {10.1002/anie.201503247}, author = {Nandakumar, Avanashiappan and Midya, Siba Prasad and Landge, Vinod Gokulkrishna and Balaraman, Ekambaram} } @article { ISI:000354043200025, title = {Trifunctional mesoporous silica-based, highly active catalyst for one-pot, three-step cascade reactions}, journal = {Chemical Communications}, volume = {51}, number = {40}, year = {2015}, month = {APR}, pages = {8496-8499}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

We report the synthesis of a trifunctional catalyst containing amine, sulphonic acid and Pd nanoparticle catalytic groups anchored on the pore walls of SBA-15. The catalyst efficiently catalyzes one-pot three-step cascade reactions comprising deacetylation, Henry reaction and hydrogenation, giving up to similar to 100\% conversion and 92\% selectivity to the final product.

}, issn = {1359-7345}, doi = {10.1039/c5cc01694k}, author = {Biradar, Ankush V. and Patil, Vijayshinha S. and Chandra, Prakash and Doke, Dhananjay S. and Asefa, Tewodros} } @article { ISI:000355856200034, title = {Tris-hydroxymethylaminomethane (THAM): a novel organocatalyst for a environmentally benign synthesis of medicinally important tetrahydrobenzo[b]pyrans and pyran-annulated heterocycles}, journal = {New Journal of Chemistry}, volume = {39}, number = {6}, year = {2015}, month = {MAR}, pages = {4452-4463}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

simple, efficient and environmentally benign protocol has been developed for the one-pot, multicomponent synthesis of medicinally important tetrahydrobenzo[b]pyrans and pyran-annulated heterocycles using a commercially available, inexpensive, non-toxic, and biodegradable tris-hydroxymethylaminomethane (THAM) as a novel organocatalyst. Ambient reaction conditions, wide scope, avoidance of conventional isolation as well as purification techniques and the reusability of the catalyst for five consecutive runs have improved the practical utility of this multicomponent reaction protocol manifold.

}, issn = {1144-0546}, doi = {10.1039/c4nj02346c}, author = {Pandit, Kapil S. and Chavan, Pramod V. and Desai, Uday V. and Kulkarni, Makarand A. and Wadgaonkar, Prakash P.} } @article { ISI:000360677400002, title = {Triterpenoid profiling and functional characterization of the initial genes involved in isoprenoid biosynthesis in neem (Azadirachta indica)}, journal = {BMC Plant Biology}, volume = {15}, year = {2015}, month = {SEP}, pages = {Article Number: 214}, publisher = {BIOMED CENTRAL LTD}, address = {236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND}, abstract = {

Background: Neem tree (Azadirachta indica) is one of the richest sources of skeletally diverse triterpenoids and they are well-known for their broad-spectrum pharmacological and insecticidal properties. However, the abundance of Neem triterpenoids varies among the tissues. Here, we delineate quantitative profiling of fifteen major triterpenoids across various tissues including developmental stages of kernel and pericarp, flower, leaf, stem and bark using UPLC-ESI (+)-HRMS based profiling. Transcriptome analysis was used to identify the initial genes involved in isoprenoid biosynthesis. Based on transcriptome analysis, two short-chain prenyltransferases and squalene synthase (AiSQS) were cloned and functionally characterized. Results: Quantitative profiling revealed differential abundance of both total and individual triterpenoid content across various tissues. RNA from tissues with high triterpenoid content (fruit, flower and leaf) were pooled to generate 79.08 million paired-end reads using Illumina GA.. platform. 41,140 transcripts were generated by d e novo assembly. Transcriptome annotation led to the identification of the putative genes involved in isoprenoid biosynthesis. Two short-chain prenyltransferases, geranyl diphosphate synthase (AiGDS) and farnesyl diphosphate synthase (AiFDS) and squalene synthase (AiSQS) were cloned and functionally characterized using transcriptome data. RT-PCR studies indicated five-fold and ten-fold higher relative expression level of AiSQS in fruits as compared to leaves and flowers, respectively. Conclusions: Triterpenoid profiling indicated that there is tissue specific variation in their abundance. The mature seed kernel and initial stages of pericarp were found to contain the highest amount of limonoids. Furthermore, a wide diversity of triterpenoids, especially C-seco triterpenoids were observed in kernel as compared to the other tissues. Pericarp, flower and leaf contained mainly ring-intact triterpenoids. The initial genes such as AiGDS, AiFDS and AiSQS involved in the isoprenoids biosynthesis have been functionally characterized. The expression levels of AiFDS and AiSQS were found to be in correlation with the total triterpenoid content in individual tissues.

}, keywords = {Azadirachta indica, Quantitative profiling, Transcriptome, Triterpenoids}, issn = {1471-2229}, doi = {10.1186/s12870-015-0593-3}, author = {Pandreka, Avinash and Dandekar, Devdutta S. and Haldar, Saikat and Uttara, Vairagkar and Vijayshree, Shinde G. and Mulani, Fayaj A. and Aarthy, Thiagarayaselvam and Thulasiram, Hirekodathakallu V.} } @article { ISI:000358237400019, title = {Tunable acid-base bifunctional catalytic activity of FeOOH in an orthogonal tandem reaction}, journal = {Catalysis Science \& Technology}, volume = {5}, number = {8}, year = {2015}, month = {MAY}, pages = {4029-4038}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

In this report, we have explored the acid-base bifunctional catalytic activity of iron oxohydroxides (FeOOH) by catalyzing deacetalization and Henry condensation reactions successively in a single pot. The crystalline polymorphs of FeOOH, namely goethite (alpha FeOOH), akaganeite (beta FeOOH), lepidocrocite (gamma FeOOH) and delta FeOOH, were chemically prepared and tested for the catalytic activity. All the polymorphs of FeOOH exhibited acid-base bifunctional catalytic activity. The relative selectivity for products varied with the polymorphs of FeOOH. Whereas alpha FeOOH produced benzaldehyde in high yield, the polymorphs beta FeOOH, gamma FeOOH and delta FeOOH showed high selectivity for trans-beta-nitrostyrene. In addition, beta FeOOH also exhibited a unique activity towards the formation of 1,3-dinitro-2-phenylpropane. The difference in the catalytic activity of FeOOH polymorphs was explained based on the strength and density of acidic and basic active sites on the surface. Selectivity for the products was tuned by changing the synthesis parameters of the catalysts and reaction conditions.

}, issn = {2044-4753}, doi = {10.1039/c5cy00361j}, author = {Vernekar, D. and Jagadeesan, Dinesh} } @article { ISI:000351235800053, title = {Tunable band gap and coercivity of bismuth ferrite-polyaniline core-shell nanoparticles: the role of shell thickness}, journal = {RSC Advances}, volume = {5}, number = {30}, year = {2015}, month = {MAR}, pages = {23563-23568}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

We report a tunable band gap of bismuth ferrite-polyaniline core-shell nanoparticles from 2.24 to 1.98 eV and the variation of coercivity from 118 to 100 Oe, by varying the thickness of the polyaniline shell. Bismuth ferrite nanoparticles were synthesized via a chemical route and coating of polyaniline was achieved by a double surfactant layer technique. Coating of polyaniline introduced oxygen vacancies, local distortions and microstrains in the bismuth ferrite lattice which resulted in a change in the Fe-O-Fe bond angle of the bismuth ferrite lattice. This is confirmed with structural analysis tools i.e. X-ray Diffraction, Fourier Transform Infrared Spectroscopy and Raman spectroscopy. Moreover, the absorption of light around 600 nm is increased and photoluminescence emission around 430 nm is decreased, as the thickness of shell is increased, which also indicates the changes in optical properties due to variation in shell thickness. Thus tunability of the band gap and coercivity is achieved as a function of shell thickness in bismuth ferrite-polyaniline core-shell nanoparticles.

}, issn = {2046-2069}, doi = {10.1039/c5ra00933b}, author = {Chaturvedi, Smita and Das, Raja and Poddar, Pankaj and Kulkarni, Sulabha} } @article { ISI:000355656000012, title = {Tuning magnetic behavior of nanoscale cobalt sulfide and its nanocomposite with an engineering thermoplastic}, journal = {Journal of Electronic Materials}, volume = {44}, number = {7}, year = {2015}, month = {JUL}, pages = {2308-2311}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Nanocomposites containing magnetic nanoparticles embedded in a polymer matrix with good thermal stability (up to 200A degrees C) are technologically important. We report an environmentally benign solid-solid approach for synthesis of cobalt sulfide and its nanocomposite using a thermally stable matrix of polyphenylene sulfide. Physicochemical characterizations reveal the formation of nanoclusters of the hexagonal phase CoS. Even though bulk CoS is nonmagnetic, magnetization studies exhibit anomalous magnetic behavior for phase-pure nanoscale CoS and its nanocomposites.

}, keywords = {Nanocomposite, polyphenylene sulfide, Solid-solid reaction, superparamagnetic}, issn = {0361-5235}, doi = {10.1007/s11664-015-3753-1}, author = {Rumale, Narendra and Arbuj, Sudhir S. and Umarji, Govind and Shinde, Manish and Mulik, Uttam P. and Joy, Pattayil Alias and Amalnerkar, Dinesh P.} } @article { ISI:000348366500030, title = {Tuning of multiple luminescence outputs and white-light emission from a single gelator molecule through an ESIPT coupled AIEE process}, journal = {Chemical Communications}, volume = {51}, number = {11}, year = {2015}, month = {DEC}, pages = {2130-2133}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A unique example of an ESIPT coupled AIEE process, associated with a single molecule (1), is utilized for generating multiple luminescent colors (blue-green-white-yellow). The J-aggregated state of 1 forms a luminescent gel in THF and this luminescent property is retained even in the solid state.

}, issn = {1359-7345}, doi = {10.1039/c4cc09211b}, author = {Maity, Arunava and Ali, Firoj and Agarwalla, Hridesh and Anothumakkool, Bihag and Das, Amitava} } @article { ISI:000365070700106, title = {Two new potential barcodes to discriminate dalbergia species}, journal = {Plos One}, volume = {10}, number = {11}, year = {2015}, month = {NOV}, pages = {Article Number: e0142965}, publisher = {PUBLIC LIBRARY SCIENCE}, address = {1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA}, abstract = {

DNA barcoding enables precise identification of species from analysis of unique DNA sequence of a target gene. The present study was undertaken to develop barcodes for different species of the genus Dalbergia, an economically important timber plant and is widely distributed in the tropics. Ten Dalbergia species selected from the Western Ghats of India were evaluated using three regions in the plastid genome (matK, rbcL, trnH-psbA), a nuclear transcribed spacer (nrITS) and their combinations, in order to discriminate them at species level. Five criteria: (i) inter and intraspecific distances, (ii) Neighbor Joining (NJ) trees, (iii) Best Match (BM) and Best Close Match (BCM), (iv) character based rank test and (v) Wilcoxon signed rank test were used for species discrimination. Among the evaluated loci, rbcL had the highest success rate for amplification and sequencing (97.6\%), followed by matK (97.0\%), trnH-psbA (94.7\%) and nrITS (80.5\%). The inter and intraspecific distances, along with Wilcoxon signed rank test, indicated a higher divergence for nrITS. The BM and BCM approaches revealed the highest rate of correct species identification (100\%) with matK, matK+rbcL and matK+trnH-psb loci. These three loci, along with nrITS, were further supported by character based identification method. Considering the overall performance of these loci and their ranking with different approaches, we suggest matK and matK+rbcL as the most suitable barcodes to unambiguously differentiate Dalbergia species. These findings will potentially be helpful in delineating the various species of Dalbergia genus, as well as other related genera.

}, issn = {1932-6203}, doi = {10.1371/journal.pone.0142965}, author = {Bhagwat, Rasika M. and Dholakia, Bhushan B. and Kadoo, Narendra Y. and Balasundaran, M. and Gupta, Vidya S.} } @conference {45944, title = {Two phase flow boiling pressure drop in small channels}, booktitle = {IUTAM Symposium on multiphase flows with phase change: challenges and opportunities}, year = {2015}, month = {DEC}, publisher = {IUTAM, Dept Sci Technol India; Ministry Earth Sciences; CSIR; Natl Sci Fdn, USA; Intel Ansys Fujitsu \& TSI India}, organization = {IUTAM, Dept Sci Technol India; Ministry Earth Sciences; CSIR; Natl Sci Fdn, USA; Intel Ansys Fujitsu \& TSI India}, address = {SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Two-phase pressure drop, flow instability and boiling regime identifications are an essential step in the design of a variety of plant in the power and process industries. Despite the wide spread applications, significant experimental data on flow boiling in small channel is not available. In the present work, experimental set-up was designed for studying boiling flows in 19 mm ID tube and identifies flow regimes at various mass and heat flux conditions by varying inlet fluid temperature. The steady-state pressure data was collected and flow regimes identified using pressure drop and pressure fluctuations inside the channel. (C) 2015 The Authors. Published by Elsevier B.V.

}, keywords = {flow boiling, flow instability, pressure drop, regime identification}, doi = {10.1016/j.piutam.2015.04.044}, author = {Sardeshpande, Madhavi V. and Shastri, Parikshit and Ranade, Vivek V.}, editor = {Sahu, KC} } @article { ISI:000381180000001, title = {Targeted quantification of N-1-(carboxymethyl) valine and N-1-(carboxyethyl) valine peptides of beta-hemoglobin for better diagnostics in diabetes}, journal = {Clinical Proteomics}, volume = {13}, year = {2016}, month = {MAR}, pages = {Article Number: 7}, publisher = {BIOMED CENTRAL LTD}, address = {236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND}, abstract = {

Background: N-1-(Deoxyfructosyl) valine (DFV) beta-hemoglobin (beta-Hb), commonly referred as HbA1c, is widely used diagnostic marker in diabetes, believed to provide glycemic status of preceding 90-120 days. However, the turnover of hemoglobin is about 120 days, the DFV-beta-Hb, an early and reversible glycation product eventually may undergo irreversible advanced glycation modifications such as carboxymethylation or carboxyethylation. Hence quantification of N-1-(carboxymethyl) valine (CMV) and N-1-(carboxyethyl) valine (CEV) peptides of beta-Hb would be useful in assessing actual glycemic status. Results: Fragment ion library for synthetically glycated peptides of hemoglobin was generated by using high resolution-accurate mass spectrometry (HR/AM). Using parallel reaction monitoring, deoxyfructosylated, carboxymethylated and carboxyethylated peptides of hemoglobin were quantified in clinical samples from healthy control, pre-diabetes, diabetes and poorly controlled diabetes. For the first time, we report N-1-beta-valine undergoes carboxyethylation and mass spectrometric quantification of CMV and CEV peptides of beta-hemoglobin. Carboxymethylation was found to be the most abundant modification of N-1-beta-valine. Both CMV-beta-Hb and CEV-beta-Hb peptides showed better correlation with severity of diabetes in terms of fasting glucose, postprandial glucose and microalbuminuria. Conclusions: This study reports carboxymethylation as a predominant modification of N-1-beta-valine of Hb, and quantification of CMV-beta-Hb and CEV-beta-Hb could be useful parameter for assessing the severity of diabetes.

}, keywords = {Diabetes, Diagnosis, Glycation, Glycemic control, HbA1c, Mass spectrometry}, issn = {1542-6416}, doi = {10.1186/s12014-016-9108-y}, author = {Jagadeeshaprasad, Mashanipalya G. and Batkulwar, Kedar B. and Meshram, Nishita N. and Tiwari, Shalbha and Korwar, Arvind M. and Unnikrishnan, Ambika G. and Kulkarni, Mahesh J.} } @book {43012, title = {Taxonomy of mycotoxigenic fungi}, year = {2016}, publisher = {Scientific Publisher}, organization = {Scientific Publisher}, abstract = {

Mycotoxins, toxic metabolites of molds elaborated during their colonization of foods and feeds, pose a threat to human and animal life. Molds are the diverse group of fungi, which grow in compatatively dry and warm environments, produce copious amount of spores and promote the elaboration of these mycotoxins. Mycotoxigenic fungi, which are unique their sporulating apparatus and exhibit wide variation in their morphology, poses a challenge in their identification. There are numerous examples of their misidentification leading to wrong conclusions. Precise information on taxonomy of these fungi is lacking. Therefore, this book fulfills the need of providing comprehensive information and keys helpful for the accurate identification of these moulds. The book also provides comprehensive account of morphology, mycotoxins produced and factors leading to the elaboration of mycotoxins. Information on their molecular detection, anamorphic and teleomorphic relationships is also included.

}, author = {Vankudoth, Koteswara Rao and Sivadevuni, Girisham and Reddy S. M.} } @article {43580, title = {Temperature dependent raman spectroscopy and sensing behavior of few layer SnSe2nanosheets}, journal = {Chemistryselect}, volume = {1}, year = {2016}, month = {OCT}, pages = {5380-5387}, abstract = {Two- dimensional (2D) tin diselenide (SnSe2) nanosheets were synthesized using solvothermal route in one step and perform its humidity sensing, photo sensing and temperature dependant Raman spectroscopy studies. The sensor devices based on few layer SnSe2 nanosheets were prepared and which shows fast response as well as recovery time along with good long-term stability and high sensitivity. The photo sensing behavior shows the typical response time and recovery time to be similar to 310 ms and similar to 340 ms respectively for visible light illumination. The room temperature humidity sensing behaviors were studied in the range of 11-97\% relative humidity (RH). The ob-served sensitivity of similar to 81\% with response time of similar to 74 sec and recovery time of similar to 30 sec were calculated for the few layer SnSe2 nanosheets based humidity sensor. The humidity sensing results confirms the high stability of the device even after six months of time. The temperature dependent Raman spectroscopy investigation in the range of 80 K to 593 K were carried out which shows the negative temperature coefficient and softening of Raman modes as we increases the temperature. The softening modes of SnSe2 nanosheets due to temperature were explained on the basis of a double resonance process which is more active in an atomically thin sample.}, doi = {10.1002/slct.201601347}, author = {Pawbake, Amit S. and Date, Abhijit and Jadkar, Sandesh R. and Late, Dattatray J.} } @article {43635, title = {Temperature dependent Raman spectroscopy of electrochemically exfoliated few layer black phosphorus nanosheets}, journal = {RSC Advances}, volume = {6}, year = {2016}, month = {AUG}, abstract = {The present investigation deals with temperature dependant Raman spectroscopy of electrochemically exfoliated few layer black phosphorus nanosheets. The temperature dependent study illustrates that softening of the A(g)(1), B-2g and A(g)(2) modes occurs as the temperature increases from 78 K to 573 K. The calculated temperature coefficients for the A(g)(1), B-2g and A(g)(2) modes were found to be -0.028 cm(-1) K-1, -0.028 cm(-1) K-1 and -0.018 cm(-1) K-1 respectively. The observed phenomenon can be utilized for characterizing other emerging two-dimensional inorganic layered materials with atomic thickness.}, doi = {10.1039/c6ra15996f}, author = {Pawbake, Amit S. and Erande, Manisha B. and Jadkar, Sandesh R. and Late, Dattatray J.} } @article {43433, title = {Temperature sensitive emission color tuning and white light emission in segmented OPV polymer: perylene bisimide supramolecular complex}, journal = {Macromolecules}, volume = {49}, year = {2016}, month = {NOV}, pages = {8134-8145}, abstract = {An oligo(phenylenevinylene) (OPV) based segmented polymer (POPV) and its small molecule model compound (SOPV) were designed with a carboxyl functionality in the side chain. The polymer and small molecule were complexed with pyridine functiorialized perylene bisimide (UPBIPy) and the properties of the donor: acceptor (D:A) complexes were compared. Both polymer and small molecule D:A complexes formed lamellar morphologies in the <10 nm length scale, which could be visualized by TEM and AFM imaging. The flexibility of the segmented polymer architecture imparted special properties to the polymer and its complex. The polymer complex (POPVC) exhibited white light emission with CIE color coordinates (0.27, 0.32) due to partial energy transfer from POPV to UPBIPy. The analogous model OPV complex (SOPVC) continued to show characteristic blue OPV emission in the complex also. The higher sensitivity of polymers toward temperature was made use of to tune the emission color in the complex from white (0.27, 0.32) at 30 degrees C to yellow-green (0.29, 0.31) at 100 degrees C and back to white (0.27, 0.31) upon cooling to 30 degrees C. Such a temperature sensitive emission color tuning was not observed in the small molecule complex under identical conditions.}, doi = {10.1021/acs.macromol.6b01708}, author = {Shinde, Shekhar and Asha, S. K.} } @article {45631, title = {Temperature-dependent phonon shifts in atomically thin MoTe2 nanosheets}, journal = {Applied Materials Today}, volume = {5}, year = {2016}, month = {DEC}, pages = {98-102}, type = {Article}, abstract = {

The present investigations deal with temperature-dependent Raman spectroscopy of bi-layer and few-layer molybdenum telluride (MoTe2) nanosheets prepared by micromechanical exfoliation method on a 300 nm SiO2/Si substrate. The temperature-dependent Raman spectroscopy was carried out using 633 nm laser excitation over the wider temperature range of 123-523 K. The temperature-dependent study illustrates the softening of A(1g), E-2g(1), and B-2g modes as temperature increases from 123 K to 523 K. The calculated temperature coefficients for A(1g), E-2g(1) and B-2g modes of the bi-layer MoTe2, nanosheet sample were found to be -0.00911 cm(-1) K-1, -0.01297 cm(-1) K-1 and -0.0159 cm(-1) K-1,respectively. For few-layer MoTe2 nanosheet sample, the temperature coefficient values were found to be -0.0113 cm(-1) K-1 (A(1g)), -0.0129 cm(-1) K-1 (E-2g(1)) and -0.0149 cm(-1) K-1 (B-2g), respectively. The present work highlights the temperature-dependent lattice vibration consequence of 2D MoTe2 nanosheet, which can be fundamentally pertinent in other promising and emerging 2D ultrathin layer and heterostructured materials to be used in future optoelectronic and nanoelectronic devices. (C) 2016 Elsevier Ltd. All rights reserved.

}, keywords = {Layered material, MoTe2, Phonon vibration, Raman spectroscopy, thermal effect}, issn = {2352-9407}, doi = {10.1016/j.apmt.2016.09.013}, author = {Late, Dattatray J.} } @article {42997, title = {Template determines whether chemically identical nanoparticle scaffolds show elastic recovery or plastic failure}, journal = {Langmuir}, volume = {32}, year = {2016}, month = {NOV}, pages = {11623-11630}, abstract = {

Subtle variations in the preparation of ice-templated nanoparticle assemblies yield monoliths that are chemically identical but exhibit qualitatively different mechanical behavior. We ice template aqueous dispersions to prepare macroporous monoliths largely comprising silica nanoparticles held together by a crosslinked polymer mesh. When the polymer is crosslinked in the presence of ice crystals, we obtain an elastic sponge that is capable of recovery after imposition of large compressive strains (up to 80\%). If, however, the ice is lyophilized before the polymer is crosslinked, we obtain a plastic monolith that fails even for modest strains (less than 10\%). The elastic sponge and the plastic monolith are chemically identical; they have the same organic content, the same ratio of polymer to crosslinker, and the same average crosslink density. Atomic force microscopy (AFM) was used to probe the local mechanical properties of the crosslinked polymer mesh. These measurements indicate that plastic monoliths dissipate significantly more energy and have a larger spatial variation in local mechanical response relative to the elastic sponges. We believe that this behavior might correlate with a wider spatial distribution of crosslinks in plastic scaffolds relative to elastic scaffolds.

}, doi = {10.1021/acs.langmuir.6b03173}, author = {Suresh, Karthika and Patil, Shivprasad and Rajamohanan, Pattuparambil Ramanpillai and Kumaraswamy, Guruswamy} } @article {43587, title = {Template-free sol-gel synthesis of high surface area mesoporous silica based catalysts for esterification of di-carboxylic acids}, journal = {Comptes Rendus Chimie}, volume = {19}, year = {2016}, month = {OCT}, pages = {1247-1253}, abstract = {High surface area mesoporous silica based catalysts have been prepared by a simple hydrolysis/sol-gel process without using any organic template and hydrothermal treatment. A controlled hydrolysis of ethyl silicate-40, an industrial bulk chemical, as a silica precursor, resulted in the formation of very high surface area (719 m(2)/g) mesoporous (pore size 67 angstrom and pore volume 1.19 cc/g) silica. The formation of mesoporous silica has been correlated with the polymeric nature of the ethyl silicate-40 silica precursor which on hydrolysis and further condensation forms long chain silica species which hinders the formation of a close condensed structure thus creating larger pores resulting in the formation of high surface mesoporous silica. Ethyl silicate-40 was used further for preparing a solid acid catalyst by supporting molybdenum oxide nanoparticles on mesoporous silica by a simple hydrolysis sol gel synthesis procedure. The catalysts showed very high acidity as determined by NH3-TPD with the presence of Lewis as well as Brensted acidity. These catalysts showed very high catalytic activity for esterification: a typical acid catalyzed organic transformation of various mono- and di-carboxylic acids with a range of alcohols. The in situ formed silicomolybdic acid heteropoly-anion species during the catalytic reactions were found to be catalytically active species for these reactions. Ethyl silicate-40, an industrial bulk silica precursor, has shown a good potential for its use as a silica precursor for the preparation of mesoporous silica based heterogeneous catalysts on a larger scale at a lower cost. (C) 2016 Published by Elsevier Masson SAS on behalf of Academie des sciences.}, doi = {10.1016/j.crci.2016.02.001}, author = {More, Pavan M. and Umbarkar, Shubhangi B. and Dongare, Mohan K.} } @article {45654, title = {Theoretical study of the ground and excited state tautomersim in curcumin using DFT based methods}, journal = {Abstracts of Papers of the American Chemical Society}, volume = {252}, year = {2016}, month = {AUG }, type = {Article}, issn = {0065-7727}, author = {Grewal, Baljinder and Ghosh, Debashree} } @article {42857, title = {Is there any real effect of low dimensional morphologies towards light harvesting? a case study of Au-rGO-TiO2 nanocomposites}, journal = {Chemistry Select }, volume = {1}, year = {2016}, month = {APR}, pages = {917{\textendash}923}, abstract = {

Nanotube and nanosheet morphologies have been celebrated for their electron transport properties. Present work has been explored to exploit the same by combining 1D TiO2 nanotube (1D-TN) with 2D reduced graphene oxide (rGO) along with nano gold for visible light sensitization for photocatalytic H2 generation under one sun condition and visible light (λ>= 400 nm). Vertical and horizontal electron transport in 1D-TN and rGO, respectively, is combined with the visible light absorption capability of Au nanoparticle. H2 yield (HY) varies between 100 and 655 {\textmu}mol/g.h with an apparent quantum yield between 0.45 and 3.2 \%, respectively, depending on Au/rGO/1D-TN preparation method and reaction conditions. It has been demonstrated that interfacial contact between rGO/1D-TN and Au is crucial for high photocatalytic HY. Preparation method influences charge utilization, and hence HY, to a large extent. Nonetheless, the maximum HY reported in the present work is just comparable to HY reported in literature with the most commonly found spherical morphology, and this leads to a question of, is there any real influence of 1D and/or 2D materials, particularly, towards light harvesting applications?

}, doi = {10.1002/slct.201600182}, author = {Melvin, Ambrose A. and Bharad, Pradnya A. and Illath, Kavya and Lawrence, Meenu P. and Gopinath, Chinnakonda S.} } @article {43009, title = {Thermal stimuli-responsive behavior of pyrene end-functionalized PDMS through tunable P{\textendash}P interactions}, journal = {Journal of Polymer Science Part B-Polymer Physics}, volume = {54}, year = {2016}, month = {JAN}, pages = {159-168}, abstract = {

Pyrene end-functionalized, telechelic poly(dimethyl siloxane) (PDMS) materials were synthesized and their response to different thermal stimuli was evaluated. The incorporation of pyrene end groups introduces strong pi-pi interactions that facilitated a broad range of thermally responsive properties, in some circumstances forming pyrene nanocrystals that serve as physical crosslinks leading to elastic materials. By synthesizing different chain lengths, samples exhibiting a 7 orders of magnitude change in storage modulus in response to thermal stimuli were produced by modifying only the end-groups (0.6 wt \% of all polymer segments). Repeated thermal cycling during rheological experiments revealed that pi-pi interaction and crystallization/melting kinetics of pyrene chain-ends plays a key role in their thermal responsiveness. The properties of these materials were tuned by adding free pyrene, neat PDMS, or graphene oxide (GO) nanoparticles, making them attractive for many applications (e.g., tunable damping materials, heat/light sensors, conductive gels, or light repositionable adhesives). For example, nanocomposites containing 1 wt \% GO caused the melting temperature for pyrene crystal domains to more than double, and even induced pyrene end-group crystallization in samples that did not exhibit crystals in neat form. It is hypothesized that these features originate from pi-pi interactions between pyrene ends and GO surfaces. (C) 2015 Wiley Periodicals, Inc.

}, doi = {10.1002/polb.23805}, author = {Ha, Heonjoo and Shanmuganathan, Kadhiravan and Fei, Yunping and Ellison, Christopher J.} } @article {43577, title = {Thickness tunable transport in alloyed WSSe field effect transistors}, journal = {Applied Physics Letters}, volume = {109}, year = {2016}, month = {OCT}, pages = {Article Number: 142101}, abstract = {We report the field effect transistor characteristics of exfoliated transition metal dichalcogenide alloy tungsten sulphoselenide. WSSe is a layered material of strongly bonded S-W-Se atoms having weak interlayer van der Waals forces with a significant potential for spintronic and valleytronic applications due to its polar nature. The X-ray photoelectron spectroscopy measurements on crystals grown by the chemical vapor transport method indicate a stoichiometry of the form WSSe. We report flake thickness tunable transport mechanism with n-type behavior in thin flakes (<= 11 nm) and ambipolarity in thicker flakes. The devices with flake thicknesses of 2.4 nm-54.8nm exhibit a maximum electron mobility of similar to 50 cm(2)/V s along with an I-ON/I-OFF ratio > 10(6). The electron Schottky barrier height values of 35 meV and 52meV extracted from low temperature I-V measurements for 3.9 nm and 25.5 nm thick flakes, respectively, indicate that an increase in hole current with thickness is likely due to lowering of the bandgap through an increase in energy of the valence band maximum. Published by AIP Publishing.}, doi = {10.1063/1.4964289}, author = {Karande, Shruti D. and Kaushik, Naveen and Narang, Deepa S. and Late, Dattatray and Lodha, Saurabh} } @article {42858, title = {Three way catalytic converter reactions aspects at near ambient temperatures on modified pd-surfaces}, journal = {Comptes Rendus Chimie}, volume = {19}, year = {2016}, month = {OCT}, pages = {1363-1369}, abstract = {

The dissolution of oxygen in palladium plays an important role in palladium catalysis. The present study shows that the surface modification (SM) due to the dissolution of atomic oxygen into the subsurfaces of palladium can be used as a control to tune its catalytic activity. CO oxidation and NO + H-2 + O-2 reaction was separately carried out on metallic Pd and on surface modified Pd using a molecular beam instrument and the results were compared. The metallic Pd does not show activity below 400 K for both reactions, whereas the SM-Pd shows activity at near-ambient temperatures. The electronic change due to SM was investigated using ambient pressure photoelectron spectroscopy, and the investigation clearly shows the effect of subsurface oxygen in the ambient temperature activity of palladium. (C) 2016 Academie des sciences. Published by Elsevier Masson SAS. All rights reserved.

}, doi = {10.1016/j.crci.2015.11.019}, author = {Roy, Kanak and Jain, Ruchi and Ghosalya, Manoj Kumar and Reddy, Kasala Prabhakar and Gopinath, Chinnakonda S.} } @inbook {45878, title = {Three-phase slurry reactors}, booktitle = {Multiphase catalytic reactors: theory, design, manufacturing, and applications}, year = {2016}, pages = {132-155}, publisher = {Wiley Blackwell}, organization = {Wiley Blackwell}, abstract = {

Many of the chemical reactors employed in various sectors of the process andchemical industries, suchas petroleumrefining,downstream processing and petrochemicals, bulk and specialty chemicals, and pharmaceuticals, involve reactants and products in three phases. The ubiquitous presence of three-phase reactors comes from the fact that many of the reactants are liquids under reaction conditions, to be treated with a gas like hydrogen, and in the presence of a heterogeneous catalyst that is usually a solid. This requirement leads to two broad modes of contacting one in which the catalyst is held stationary in a "fixed" or a "packed bed" and one in which the catalyst is set free to move, along with the flowing fluid phases, during their sojourn through the reactor vessel.The choice ofwhether the catalyst should be fixed ormoving is usually dictated by the relative dominance of transport rates and intrinsic kinetics. If the reaction chemistry is intrinsically slow (when external and internalmass transfer of chemical species from the fluid phases to the porous catalyst is not rate limiting), packed bed reactor that allows very high catalyst loading is usually preferred. Packed beds, however, do not constitute the main topic of discussion in this monograph. Still, three-phase packed beds and slurry reactors are really parts of the same continuum of three-phase catalytic reactors andhave beendiscussedcomprehensively about three decades back in the classic book by P.A. Ramachandran and R.V. Chaudhari (Three Phase Catalytic Reactors. NewYork:Gordon and Breach Science Publishers; 1983). The same authors published earlier a review of three-phase slurry reactors (Chaudhari RV, Ramachandran PA. Three phase slurry reactors. AIChE J. 1980;26(2):177-199). This chapter builds on these authors{\textquoteright} works and attempts to update the reader on developments in the field over the past few decades while retaining the essential reactionandreactorengineering aspects.The focus isonthe design, scale-up, and operation of three-phase slurry reactor systems

}, isbn = {978-111811576-3 }, issn = {978-111924849-1}, doi = {10.1002/9781119248491.ch6}, author = {Buwa, V. V. and Roy, S. and Ranade, V. V.} } @article { ISI:000371948100113, title = {TiO2 modification by gold (Au) for photocatalytic hydrogen (H-2) production}, journal = {Renewable \& Sustainable Energy Reviews}, volume = {58}, year = {2016}, month = {MAY}, pages = {1366-1375}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

TiO2 is indeed one of the widely used semiconductors employed for photocatalytic hydrogen production. Most of its photocatalytic activity-is achieved in its crystalline form. However, its photocatalytic activity is limited to ultraviolet region. For making TiO2 visible light active; Au deposition is strongly recommended due to its surface plasmon feature. Au deposition enhances the photocatalytic activity of both crystalline and nanocrystalline TiO2. Efficiency of photocatalytic activity is controlled by shape and size of Au nanoparticle subsequently the synthetic methodology plays an important role. Herein, we furnish a brief description of TiO2-Au nanocomposite synthesis by different methods viz. sol-gel, photodeposition, deposition-precipitation simple reducing method and dispersion method. A discussion on physical properties of the resultant material is also provided. Three different types of mechanism has been described depending on the type of irradiation and form of TiO2 (crystalline and nanocrytalline). A comparative hydrogen production yield is also tabulated to get an idea about the best synthesis methodology and form of TiO2 for efficient photocatalysis. (C) 2016 Elsevier Ltd. All rights reserved.

}, keywords = {Gold nanoparticle, Hydrogen generation, Nanocomposite, Photocatalysis, TiO2}, issn = {1364-0321}, doi = {10.1016/j.rser.2015.12.236}, author = {Gupta, Bhavana and Melvin, Ambrose A. and Matthews, Tom and Dash, Sitaram and Tyagi, A. K.} } @article { ISI:000372915400016, title = {Total synthesis and structural assignment of hexaketide xylarinolb and its C1-epimer}, journal = {Asian Journal of Organic Chemistry}, volume = {5}, number = {3}, year = {2016}, month = {MAR}, pages = {417-422}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {

The total synthesis of two isomeric hexaketides isolated along with sordarial, which have the proposed relative arabino and ribo configurations, has been executed. A Rh-catalyzed [2+2+2]-alkyne cyclotrimerization has been employed as the key reaction to construct the central dihydroisobenzofuran core. The absolute configuration of the xylarinolB hexaketide has been established as l-arabino. This is the first natural product of this family for which the absolute configuration has been determined, and this can be extended to provide structural details of several of related hexaketides.

}, keywords = {hexaketides, sordarial, Wilkinson{\textquoteright}s catalyst, xylarinolB, {[2+2+2]-cyclotrimerization}, issn = {2193-5807}, doi = {10.1002/ajoc.201500511}, author = {Mullapudi, Venkanna Babu and Ramana, Chepuri V.} } @article { ISI:000379493900061, title = {Total synthesis of (-)-(6R,11R,14S)-colletallol via proline catalyzed alpha-aminoxylation and Yamaguchi macrolactonization}, journal = {RSC Advances}, volume = {6}, number = {68}, year = {2016}, month = {JUN}, pages = {63607-63612}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A simple and efficient synthesis of the 14-membered macrolide (-)-(6R,11R,14S)-colletallol was achieved in a highly diastereoselective manner with high overall yield. The stereogenic centre was generated using a proline catalyzed alpha-aminoxylation reaction and the ring was constructed using Yamaguchi protocol.

}, issn = {2046-2069}, doi = {10.1039/c6ra08484b}, author = {Kauloorkar, Shruti Vandana and Kumar, Pradeep} } @article { ISI:000372664600061, title = {Total synthesis of integrastatin B enabled by a benzofuran oxidative dearomatization cascade}, journal = {Organic Letters}, volume = {18}, number = {6}, year = {2016}, month = {MAR}, pages = {1458-1461}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The first total synthesis of integrastatin B, a potent HIV-1 integrase inhibitor, has been accomplished in seven steps with a 17.9\% overall yield employing easily accessible starting compounds. The Oxone-mediated oxidative benzofuran dearomatization cascade has been employed as the key skeletal construct to forge the central tetracyclic nucleus.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.6b00404}, author = {More, Atul A. and Ramana, Chepuri V.} } @article { ISI:000368207600013, title = {Total synthesis of isocladosporin and 3-epi-isocladosporin}, journal = {Tetrahedron Letters}, volume = {57}, number = {1}, year = {2016}, month = {JAN}, pages = {53-55}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A convergent total synthesis of isocladosporin and 3-epi-isocladosporin is reported starting from commercially available homoallyl alcohol in 10 longest linear steps with 28\% overall yield. The key steps involved in the synthesis are cross-metathesis, tandem isomerization followed by C-O and C-C bond formation reactions for the synthesis of trans-2,6-disubstituted dihydropyrans developed by us, acylation reaction and Luche reaction. (C) 2015 Elsevier Ltd. All rights reserved.

}, keywords = {Acylation reaction, Cross-metathesis, Iodocyclization, Isocladosporin 3-epi-Isodadosporin, Luche reduction}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2015.11.060}, author = {Mohapatra, Debendra K. and Maity, Saurabh and Banoth, Shivalal and Gonnade, Rajesh G. and Yadav, J. S.} } @article { ISI:000382768400020, title = {Total synthesis of (-)-nardoaristolone B}, journal = {European Journal of Organic Chemistry}, number = {22}, year = {2016}, month = {AUG}, pages = {3804-3808}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {

A stereoselective total synthesis of (-)-Nardoaristolone B, a nor-aristolane sesquiterpenoid natural product with an unusual 3/5/6 tricyclic ring system is described. The highlights of the present work includes use of (+)-(R)-Pulegone as a chiral-pool starting material, ring-closing metathesis, allylic oxidation and stereoselective cyclopropanation. In addition, a new analogue of Nardoaristolone B (minor product from the final step) was isolated in pure form and fully characterized with the help of single-crystal X-ray analysis.

}, keywords = {Chiral pool, cyclopropanation, Nardoaristolone B, Natural products, Total synthesis}, issn = {1434-193X}, doi = {10.1002/ejoc.201600538}, author = {Ople, Rohini S. and Handore, Kishor L. and Kamat, Nidhi S. and Reddy, D. Srinivasa} } @article { ISI:000379455300035, title = {Total synthesis of the marine natural product solomonamide B necessitates stereochemical revision}, journal = {Organic Letters}, volume = {18}, number = {13}, year = {2016}, month = {JUL}, pages = {3178-3181}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The first total synthesis of the proposed structure of solomonamide B has been achieved. However, the H-1 and C-13 NMR spectral data of the synthesized compound was not exactly matching with that of the natural solomonamide B. This prompted us to revise the originally proposed structure, in particular, the stereochemistry of the nonpeptide part, which was confirmed by its total synthesis. During the course of the synthesis, we have developed an interesting hydroxy group directed Wacker oxidation of internal olefins in a macrocyclic setting.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.6b01395}, author = {Kashinath, K. and Jachak, Gorakhnath R. and Athawale, Paresh R. and Marelli, Udaya Kiran and Gonnade, Rajesh G. and Reddy, D. Srinivasa} } @article { ISI:000369001500017, title = {Toughening of epoxy novolac resin using cardanol based flexibilizers}, journal = {Journal of Applied Polymer Science}, volume = {133}, number = {16}, year = {2016}, month = {APR}, pages = {43318}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

In this work, two different cardanol based epoxies (Cardolite NC-514 and Cardanol NC-547) were employed as flexibilizers to toughen an epoxy novolac resin namely, poly[(phenylglycidyl ether)-co-formaldehyde] (PPGEF). 4,4-Diamino-3,3-dimethyl dicyclohexyl methane (BMCHA) was used as a curing agent. Differential scanning calorimetry and dynamic mechanical thermal analysis of the composites showed a gradual decrease in glass transition temperatures (T-g) with increase in cardolite content confirming the incorporation of flexible moieties into the brittle resin matrix. Improvement in toughening of PPGEF/Cardolite composites was manifested by increase in the izod impact strength of both the composites. The tensile strength increased marginally for composites with increasing amount of Cardolite NC-514 but decreased for the composites containing Cardolite NC-547. This was attributed to the lack of rotational motion in the chain due to close proximity of rigid phenyl rings in NC-547. SEM of the cryo-fractured surfaces of composites showed good compatibility between PPGEF and cardanol based flexibilizers. (c) 2015 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2016, 133, 43318.

}, keywords = {composites, crosslinking, glass transition}, issn = {0021-8995}, doi = {10.1002/app.43318}, author = {Gour, Rajeshwari S. and Kodgire, Vivek V. and Badiger, Manohar V.} } @article {42630, title = {Tracing the architecture of caffeic acid phenethyl ester cocrystals: studies on crystal structure, solubility, and bioavailability implications}, journal = {Crystal Growth \& Design}, volume = {16}, year = {2016}, month = {OCT}, pages = {5710-5716}, abstract = {

Caffeic acid phenethyl ester (CAPE) is a polyphenolic active compound present in popular apiproduct, "propolis", obtained from beehives, Though it has broad therapeutic capability, the bioavailability of CAPE is limited due to poor solubility. In this study, we report novel cocrystals of CAPE engineered using coformers such as caffeine (CAP), isonicotinamide (INIC), and nicotinamide (NIC) with enhanced solubility and bioavailability of CAPE. The cocrystals were prepared by microwave-assisted cocrystallization and characterized using PXRD, DSC, and Raman spectroscopy. PXRD and DSC confirm the successful formation and phase purity of CAPE-CAF, CAPE-INIC, and CAPE-NIC cocrystals. Raman spectra of CAPE cocrystals complement these results in confirming the formation of novel crystalline phases. CAPE-NIC cocrystal was further subjected X-ray crystallography to understand its molecular arrangement and hydrogen bonding in the crystal structure. The CAPE-NIC cocrystal structure is found to be stabilized by a rare 1,2-benzenediol-amide heterosynthon. Cocrystallization of CAPE with NIC improved its aqueous solubility and pharmacokinetic profile, thereby demonstrating a 2.76-fold escalation in bioavailability.

}, doi = {10.1021/acs.cgd.6b00759}, author = {Ketkar, Sameer and Pagire, Sudhir K. and Goud, N. Rajesh and Mahadik, Kakasaheb R. and Nangia, Ashwini and Paradkar, Anant} } @article { ISI:000379350100109, title = {Transfer hydrogenation of biomass-derived levulinic acid to gamma-valerolactone over supported Ni catalysts}, journal = {RSC Advances}, volume = {6}, number = {64}, year = {2016}, month = {JUN}, pages = {59753-59761}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A sustainable process of catalytic transfer hydrogenation (CTH) of levulinic acid (LA) to gamma-valerolactone (GVL) was investigated over Ni on various supports (Al2O3, ZnO, MMT and SiO2) in the presence of isopropanol (IPA) as the H-donor. Among these, the montmorillonite (MMT) supported Ni catalyst showed almost complete LA conversion (\>99\%) and selectivity (\>99\%) to GVL within 1 h. XRD and XPS results showed that the concentration of the metallic species significantly enhanced (two to four times) in the recovered sample as compared to the freshly prepared Ni/MMT. This was due to the in situ reduction of Ni2+ species present on the catalyst surface, through liberated H-2 under the reaction conditions. The strong acid strength of MMT, evidenced by NH3-TPD and py-IR, facilitated the esterification of LA as well as cyclization to GVL. The conversion-selectivity pattern was found to decrease in the IPA-water mixture while, it remained unchanged in the IPA-acetone mixture. Our catalyst could be efficiently recycled up to five times with consistent CTH activity and selectivity to GVL. The plausible mechanism of LA to GVL conversion involves the formation of a levulinate ester with IPA that favours its simultaneous hydrogenation and cyclization in a spontaneous manner to give GVL and regenerating IPA for sustainability.

}, issn = {2046-2069}, doi = {10.1039/c6ra08637c}, author = {Hengne, Amol M. and Kadu, Brijesh S. and Biradar, Narayan S. and Chikate, Rajeev C. and Rode, Chandrashekhar V.} } @article { ISI:000370421500054, title = {Transferability of different classical force fields for right and left handed alpha-helices constructed from enantiomeric amino acids}, journal = {Physical Chemistry Chemical Physics}, volume = {18}, number = {7}, year = {2016}, month = {FEB}, pages = {5550-5563}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Amino acids can form D and L enantiomers, of which the L enantiomer is abundant in nature. The naturally occurring L enantiomer has a greater preference for a right handed helical conformation, and the D enantiomer for a left handed helical conformation. The other conformations, that is, left handed helical conformations of the L enantiomers and right handed helical conformations of the D enantiomers, are not common. The energetic differences between left and right handed alpha helical peptide chains constructed from enantiomeric amino acids are investigated using quantum chemical calculations (using the M06/6-311g(d,p) level of theory). Further, the performances of commonly used biomolecular force fields (OPLS/AA, CHARMM27/CMAP and AMBER) to represent the different helical conformations (left and right handed) constructed from enantiomeric (D and L) amino acids are evaluated. 5- and 10-mer chains from D and L enantiomers of alanine, leucine, lysine, and glutamic acid, in right and left handed helical conformations, are considered in the study. Thus, in total, 32 a-helical polypeptides (4 amino acids x 4 conformations of 5-mer and 10-mer) are studied. Conclusions, with regards to the performance of the force fields, are derived keeping the quantum optimized geometry as the benchmark, and on the basis of phi and psi angle calculations, hydrogen bond analysis, and different long range helical order parameters.

}, issn = {1463-9076}, doi = {10.1039/c5cp06715d}, author = {Biswas, Santu and Sarkar, Sujit and Pandey, Prithvi Raj and Roy, Sudip} } @article { ISI:000375969000054, title = {Transition metal doped aluminum clusters: an account of spin}, journal = {Journal of Physical Chemistry C}, volume = {120}, number = {18}, year = {2016}, month = {MAY}, pages = {10027-10040}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The influence of spin on the properties of small sized transition metal doped aluminum clusters are investigated in the framework of density functional theory (DFT). Detailed analysis on minimum spin doped aluminum clusters has shown prominent indication of odd even oscillation in various calculated properties, supporting the presence of jellium shell structures within them. However, optimized high spin ground state counterparts, on the other hand, show rather smooth trends consistent with the properties of bulk materials. Resemblance to the bulk transition metals is further reflected in the gradual declining trends of heat of adsorption of CO2 molecule on cluster surface by sequentially changing the dopant atom from scandium to zinc. All the observations are also compared and found to be consistent with the earlier theoretical and experimental findings as obtained in the current literature. The similarities in the properties between atomic clusters and the bulk material is of utter importance and indeed precious considering the promising influence of the acquired information in understanding the process of evolution of nanoparticles from constituent atoms.

}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.6b00510}, author = {Sengupta, Turbasu and Das, Susanta and Pal, Sourav} } @article { ISI:000375507300036, title = {Treatment of the pesticide industry effluent using hydrodynamic cavitation and its combination with process intensifying additives (H2O2 and ozone)}, journal = {Chemical Engineering Journal}, volume = {295}, year = {2016}, month = {JUL}, pages = {326-335}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Hydrodynamic cavitation (HC) and its combination with H2O2 and ozone have been applied in the present work for the treatment of industrial pesticide effluent. Initially, the effect of dilution of the effluent on the efficacy of hydrodynamic cavitation has been studied using circular venturi as a cavitator. Although an increase in the extent of dilution has not shown any beneficial effect on the actual moles of pollutant degraded, hybrid processes have been studied using 1:5 dilution due to very high TDS content of the effluent. Treatment of the industrial pesticide effluent using HC + ozone (3 gbh) process has demonstrated that the biodegradability index (BI) of the effluent increases from 0.123 to 0.324 after 2 h of operation. The rate of COD and TOC reduction has also increased by many folds by using HC in combination with ozone. In addition this, the treatment of industrial pesticide effluent using HC + H2O2 has also indicated that the rate of COD and TOC reduction increases significantly by using HC in combination with various loadings of H2O2. The study of interference of added H2O2 on the COD analysis has exhibited that the COD equivalence is 0.441 mg/L for 1 mg/L of H2O2. The energy efficiency and operating cost of various hybrid processes have been compared based on the cavitational yield and the cost of electricity. The combined process of HC and H2O2 has observed to be the most cost-effective one due to its higher cavitational yield and lower power consumption. (C) 2016 Elsevier B.V. All rights reserved.

}, keywords = {Biodegradability index, Hydrodynamic cavitation, Hydrogen peroxide, Industrial pesticide effluent, Ozone, Venturi}, issn = {1385-8947}, doi = {10.1016/j.cej.2016.03.019}, author = {Raut-Jadhav, Sunita and Badve, Mandar P. and Pinjari, Dipak V. and Saini, Daulat R. and Sonawane, Shirish H. and Pandit, Aniruddha B.} } @article { ISI:000369875900008, title = {Tunable nanocarrier morphologies from glycopolypeptide-based amphiphilic biocompatible star copolymers and their carbohydrate specific intracellular delivery}, journal = {Biomacromolecules}, volume = {17}, number = {2}, year = {2016}, month = {FEB}, pages = {466-475}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Nanocarriers with carbohydrates on the surface represent a very interesting class of drug-delivery vehicles because carbohydrates are involved in biomolecular recognition events in vivo. We have synthesized biocompatible miktoarm star copolymers comprising glycopolypeptide and poly(e-caprolactone) chains using ring-opening polymerization and {\textquoteleft}{\textquoteleft}click chemistry{\textquoteright}{\textquoteright}. The amphiphilic copolymers were self-assembled in water into morphologies such as nanorods, polymersomes, and micelles with carbohydrates displayed on the surface. We demonstrate that the formation of nanostructure could be tuned by chain length of the blocks and was not affected by the type of sugar residue. These nanostructures were characterized in detail using a variety of techniques such as TEM, AFM, cryogenic electron microscopy, spectrally resolved fluorescence imaging, and dye encapsulation techniques. We show that it is possible to sequester both hydrophobic as well as hydrophilic dyes within the nanostructures. Finally, we show that these noncytotoxic mannosylated rods and polymersomes were selectively and efficiently taken up by MDA-MB-231 breast cancer cells, demonstrating their potential as nanocarriers for drug delivery.

}, issn = {1525-7797}, doi = {10.1021/acs.biomac.5b01354}, author = {Pati, Debasis and Das, Soumen and Patil, Naganath G. and Parekh, Nimisha and Anjum, Dalaver H. and Dhaware, Vinita and Ambade, Ashootosh V. and Sen Gupta, Sayam} } @article { ISI:000369212900018, title = {Tuning emission responses of a triphenylamine derivative in host-guest complexes and an unusual dynamic inclusion phenomenon}, journal = {Journal of Organic Chemistry}, volume = {81}, number = {2}, year = {2016}, month = {JAN}, pages = {512-521}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A newly synthesized triphenylamine derivative (1Cl(3)) shows significant differences in inclusion complex formation with two different macrocyclic hosts, cucurbit[7]uril (CB[7]) and beta-cyclodextrin (beta-CD). Detailed investigations by NMR spectroscopy reveal that CB[7] forms a 1:3 host-guest complex ([1 center dot 3{CB[7]}]Cl-3) in which three arms of 1Cl(3) are bound to three host molecules. On the other hand, beta-CD forms a dynamic 1:1 inclusion complex ([1 center dot{beta-CD}]Cl-3) by binding to only one of the three arms of 1Cl(3) at a given time. The formation of a 1:1 host-guest complex with beta-CD and 1:3 host-guest complex with CB[7] was also confirmed from the results of the isothermal titration calorimetric studies. Interestingly, 1Cl(3) exhibits a rare dual emission property in solution at room temperature with the lower and higher energy bands arising from a locally excited state and an intramolecular charge-transfer transition, respectively. The difference in inclusion complex formation behavior of 1Cl(3) with the two macrocyclic hosts results in the stabilization of different emission states in the two inclusion complexes. The fundamental difference in the electrostatic surface potentials, cavity polarities, and shapes of the two macrocyclic hosts could account for the formation of the different inclusion complexes with distinct luminescence responses.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.5b02353}, author = {Gangopadhyay, Monalisa and Mandal, Amal K. and Maity, Arunava and Ravindranathan, Sapna and Rajamohanan, Pattuparambil R. and Das, Amitava} } @article { ISI:000368530300005, title = {Two chitotriose-specific lectins show anti-angiogenesis, induces caspase-9-mediated apoptosis and early arrest of pancreatic tumor cell cycle}, journal = {Plos One}, volume = {11}, number = {1}, year = {2016}, month = {JAN}, pages = {Article Number: e0146110}, publisher = {PUBLIC LIBRARY SCIENCE}, address = {1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA}, abstract = {

The antiproliferative activity of two chito-specific agglutinins purified from Benincasa hispida (BhL) and Datura innoxia (DiL9) of different plant family origin was investigated on various cancer cell lines. Both lectins showed chitotriose specificity, by inhibiting lectin hemagglutinating activity. On further studies, it was revealed that these agglutinins caused remarkable concentration-dependent antiproliferative effect on human pancreatic cancerous cells but not on the normal human umbilical vein endothelial cells even at higher doses determined using MTT assay. The GI(50) values were approximately 8.4 mu g ml(-1) (0.247 mu M) and 142 mu g ml(-1) (14.8 mu M) for BhL and DiL9, respectively, against PANC-1 cells. The growth inhibitory effect of these lectins on pancreatic cancer cells were shown to be a consequence of lectin cell surface binding and triggering G(0)/G(1) arrest, mitochondrial membrane depolarization, sustained increase of the intracellular calcium release and the apoptotic signal is amplified by activation of caspases executing cell death. Interestingly, these lectins also showed anti-angiogenic activity by disrupting the endothelial tubulogenesis. Therefore, we report for the first time two chito-specific lectins specifically binding to tumor glycans; they can be considered to be a class of molecules with antitumor activity against pancreatic cancer cells mediated through caspase dependent mitochondrial apoptotic pathway.

}, issn = {1932-6203}, doi = {10.1371/journal.pone.0146110}, author = {Singh, Ruby and Nawale, Laxman and Sarkar, Dhiman and Suresh, C. G.} } @article { ISI:000375739900014, title = {Two-layer spin coating flow of newtonian liquids: a computational study}, journal = {Computers \& Fluids}, volume = {131}, year = {2016}, month = {JUN}, pages = {180-189}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Spin coating is the most commonly used method in industries to form coating films of desired thickness and functionality. In case of two-layer spin coating process, stratified layers of two immiscible liquids are deposited onto the substrate simultaneously, which spread and thin to form two-layer coating film of finite thickness. Questions concerning the effect of surface/interfacial tension on uniformity of these films and contact line evolution are relevant and need thorough investigation. Therefore, an axisymmetric model governing the flow of two-layer spin coating process is developed here. Liquids used for the study are assumed to be Newtonian and fully wetting. The contact line singularity is resolved using a precursor layer model and the governing equations are simplified using lubrication approximation. A Galerkin finite-element method (G/FEM) based scheme is developed to solve the resulting fourth order non-linear PDEs. Simulation results reveal that the fluid properties like ratio of the viscosity of upper layer fluid to lower layer and ratio of the upper gas-liquid surface tension to inner liquid-liquid interfacial tension have profound impact on the time evolution of the film profile, contact radius and shape of the capillary ridges. It is observed that a uniform two-layer film surrounded by thin single layer film is formed when the viscosity ratio is small. On the contrary, when viscosity ratio is large, a thin two-layer film surrounded by bulky capillary ridges is formed. Similarly, the results also show that sharpness of capillary ridge increases with decrease in the surface tension ratio. Further, it is found that increase in the precursor layer thickness increases the spreading rate, thereby making the film more uniform. Finally, the uniformity of the final two-layer film does not get affected by the initial volume of fluid present in the upper layer. (C) 2016 Elsevier Ltd. All rights reserved.

}, keywords = {Axisymmetric flow, Mathematical modeling, Multi-layer coating, Precursor layer model, Thin-film flow, Two-layer spin coating}, issn = {0045-7930}, doi = {10.1016/j.compfluid.2016.03.016}, author = {Sahoo, Subhadarshinee and Arora, Akash and Doshi, Pankaj} } @article { ISI:000374185000009, title = {Two-phase flow boiling in 19mm tube: experiments and CFD modelling}, journal = {Canadian Journal of Chemical Engineering}, volume = {94}, number = {5}, year = {2016}, month = {MAY}, pages = {872-885}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Boiling flows are encountered in a wide range of industrial applications such as boilers, nuclear reactors, electronic cooling, and various types of chemical reactors. Heat transfer coefficients, flow boiling regimes, flow instabilities, pressure drops, and conditions like dry-out are some of the key issues in every boiling flow study. It is observed that a limited experimental database is available for the 19mm ID channel diameter, i.e. a typical tube diameter of steam generator. Therefore, in the present work, the experimental setup was designed for studying boiling flows in a 19mm ID tube in such a way that different flow regimes occurring in a steam generator tube (from pre-heating of sub-cooled water to dry-out) could be investigated by varying inlet conditions. The reported results cover a reasonable range: 8-27kW/m(2) and 2.9-5.9kg/m(2)s heat and mass flux conditions, respectively. A basic computational flow model was also developed to facilitate interpretation of the obtained data. The presented design of the experimental setup and the approach of mimicking different types of steam generator tubes as well as presented experimental and simulated results are useful for gaining insight into complex boiling flows in tubes, and provide a sound basis for further work in this area.

}, keywords = {CFD, Flow regimes, two-phase flow boiling, vapour quality}, issn = {0008-4034}, doi = {10.1002/cjce.22455}, author = {Sardeshpande, Madhavi V. and Raymond, Barlev and Ranade, Vivek V.} } @article {43581, title = {Two-phase flow boiling pressure drop in small channels}, journal = {International Journal of Heat and Fluid Flow}, volume = {61}, year = {2016}, month = {OCT}, pages = {636-649}, abstract = {Two-phase flow boiling in small channels finds a variety of applications in power and process industries. Heat transfer, boiling flow regimes, flow instabilities, pressure drop and dry out are some of the key issues related to two-phase flow boiling in channels. In this work, the focus is on pressure drop in two-phase flow boiling in tubes of 19 mm diameter. These tubes are typically used in steam generators. Relatively limited experimental database is available on 19 mm ID tube. Therefore, in the present work, the experimental set-up is designed for studying flow boiling in 19 mm ID tube in such a way that any of the different flow regimes occurring in a steam generator tube (from pre-heating of sub-cooled water to dry-out) can be investigated by varying inlet conditions. The reported results cover a reasonable range of heat and mass flux conditions such as 9-27 kW/m(2) and 2.9-5.9 kg/m(2) s respectively. In this paper, various existing correlations are assessed against experimental data for the pressure drop in a single, vertical channel during flow boiling of water at near-atmospheric pressure. A special feature of these experiments is that time-dependent pressures are measured at four locations along the channel. The steady-state pressure drop is estimated and the identification of boiling flow regimes is done with transient characteristics using time series analysis. Experimental data and corresponding results are compared with the reported correlations. The results will be useful for understanding key aspects of flow boiling in small channels. (C) 2016 Elsevier Inc. All rights reserved.}, doi = {10.1016/j.ijheatfluidflow.2016.07.008}, author = {Sardeshpande, Madhavi V. and Shastri, Parikshit and Ranade, Vivek V.} } @article {43900, title = {Tailoring the properties of mPEG-PLLA nanoparticles for better encapsulation and tuned release of the hydrophilic anticancer drug}, journal = {Drug Delivery and Translational Research}, volume = {7}, year = {2017}, month = {JUN}, pages = {416-427}, type = {Article}, abstract = {Gemcitabine is used as a first-line drug for treating many solid tumours. However, it suffers from a major drawback of strong side effects and short plasma half-life because of degradation by enzyme when administered intravenously. Polyesters and copolyesters are the most widely used and preferred class of biodegradable polymer. In the present work, efforts have been made to prepare poly(ethylene glycol) monomethoxy ether-poly(l-lactide) (mPEG-PLLA), a biodegradable amphiphilic copolymer with a view to improve the entrapment and tuned release of hydrophilic drug gemcitabine. The different mPEG-PLLA copolymers were synthesized with the varying ratios of mPEG and characterized by different techniques namely FTIR and {\textonesuperior}H NMR spectroscopy, solution viscosity, differential scanning calorimetry (DSC) and gel permeation chromatography (GPC). Gemcitabine-loaded nanoparticles were prepared using mPEG-PLLA copolymers by two methods i.e. nanoprecipitation and double emulsion solvent evaporation. The nanoprecipitation method showed very less entrapment and polymer solubility in the acetone-water mixture leading to uncontrolled polymer precipitation. The difficulties encountered in the nanoprecipitation method were overcome with the help of the double emulsion (w/o/w) solvent evaporation technique. It has been observed from the results that biodegradable copolymer nanoparticles protect the drug from degradation and also help in controlling the release of encapsulated drug. The properties of nanoparticles can be tailored by varying the composition of mPEG in order to get improved entrapment efficiency and desired drug release. The nanoparticles were assessed for their in vitro cytotoxicity (MTT and FACS) and cellular uptake (fluorescence microscopy) study which showed very promising results. Nanoparticles were also studied for their in vivo release after intravenous administration to Wistar albino rats, which successfully showed controlled drug release for more than 14 days.}, doi = {10.1007/s13346-017-0372-9}, author = {Surwase, Sachin S. and Munot, Neha Manish and Idage, Bhaskar B. and Idage, Susheela B.} } @article {45746, title = {Tandem synthesis of glycidol via transesterification of glycerol with DMC over Ba-mixed metal oxide catalysts}, journal = {ACS Sustainable Chemistry \& Engineering}, volume = {5}, year = {2017}, month = {FEB}, pages = {1763-1774}, type = {Article}, abstract = {Glycerol carbonate (GC) and glycidol (GD) are commercial products possible from glycerol transformation, which has become a subject of great importance. Among several basic catalysts screened in this work, BaO showed the highest glycerol conversion of 71\% with almost complete selectivity to GC. A tandem synthesis of GD with a selectivity as high as 80\% with 98\% glycerol conversion could be achieved with mixed oxides of Ba and lanthanides (La and Ce) prepared by the coprecipitation method. Although BaO alone showed the highest basicity as measured by CO2 TPD, tuning of basicity by incorporation of CeO2 resulted in the formation of GD. Incorporation of Ba into the ceria matrix induced oxygen vacancies in the cerium oxide material. The presence of u"/v" doublets at 888.7 and 903.2 eV, respectively, in XPS of the Ba-Ce sample also confirmed the oxygen vacancies in the lattice. In this tandem approach to GD, the subsequent decarboxylation of initially formed GC was due to the presence of a CeO2 lattice with defects, which is known to be the best for CO2 adsorption. Increase in both catalyst loading and temperature showed a dramatic enhancement in GD selectivity. A plausible reaction pathway for the transesterification of glycerol with DMC to give GC followed by its decarboxylation to GD is also proposed based on the structural characterization and activity studies.}, doi = {10.1021/acssuschemeng.6b02520}, author = {Kondawar, S. E. and Patil, C. R. and Rode, C. V.} } @article {43533, title = {Targeted drug delivery in covalent organic nanosheets (CONs) via sequential postsynthetic modification}, journal = {Journal of the American Chemical Society}, volume = {139}, year = {2017}, month = {MAR}, pages = {4513-4520}, abstract = {Covalent organic nanosheets (CONs) have emerged as a new class of functional two-dimensional (2D) porous organic polymeric materials with a high accessible surface, diverse functionality, and chemical stability. They could become versatile candidates for targeted drug delivery. Despite their many advantages, there are limitations to their use for target specific drug delivery. We anticipated that these drawbacks could be overturned by judicious postsynthetic modification steps to use CONs for targeted drug delivery. The postsynthetic modification would not only produce the desired functionality, it would also help to exfoliate to CONs as well. In order to meet this requirement, we have developed a facile, salt-mediated synthesis of covalent organic frameworks (COFs) in the presence of p-toluenesulfonic acid (PTSA). The COFs were subjected to sequential postsynthetic modifications to yield functionalized targeted CONs for targeted delivery of 5-fluorouracil to breast cancer cells. This postsynthetic modification resulted in simultaneous chemical delamination and functionalization to targeted CONs. Targeted CONs showed sustained release of the drug to the cancer cells through receptor mediated endocytosis, which led to cancer cell death via apoptosis. Considering the easy and facile COF synthesis, functionality based postsynthetic modifications, and chemical delamination to CONs for potential advantageous targeted drug delivery, this process can have a significant impact in biomedical applications.}, doi = {10.1021/jacs.7b00925}, author = {Mitra, Shouvik and Sasmal, Himadri Sekhar and Kundu, Tanay and Kandambeth, Sharath and Math, Kavya and Diaz Diaz, David and Banerjee, Rahul} } @inbook {43985, title = {Targeted quantification of the glycated peptides of human serum albumin}, booktitle = {Methods in Molecular Biology }, year = {2017}, pages = {403-416}, chapter = {Serum/Plasma Proteomics}, abstract = {

Glycated human serum albumin (HSA) serves as an important marker for monitoring the glycemic status. Developing methods for unambiguous identification and quantification of glycated peptides of HSA using high-throughput technologies such as mass spectrometry has a great clinical significance. The following protocol describes the construction of reference spectral libraries for Amadori-modified lysine (AML), N(ε)-(carboxymethyl) lysine (CML)-, and N(ε)-(carboxyethyl)lysine (CEL)-modified peptides of synthetically modified HSA using high-resolution mass spectrometers. The protocol also describes work flows, for unambiguous identification and quantification of glycated modified peptides of HSA in clinical plasma using standard spectral libraries by various mass spectrometry approaches such as parallel reaction monitoring (PRM), sequential window acquisition of all theoretical fragment ion spectra (SWATH), and MSE.

}, doi = {10.1007/978-1-4939-7057-5_28}, author = {Garikapati, Vannuruswamy and Korwar, Arvind M. and Jagadeeshaprasad, Mashanipalya G. and Kulkarni, Mahesh J.} } @inbook {44491, title = {Targeting RNA G-Quadruplexes for potential therapeutic applications}, booktitle = {Topics in Medicinal Chemistry}, year = {2017}, pages = {177-206}, publisher = {Springer Verlag}, organization = {Springer Verlag}, abstract = {

RNA G-quadruplexes are non-canonical structures formed in G-rich regions of transcriptome. Considerable research points towards the potential role for these dynamic structures in various genes involved in multiple pathways. The ability of these structures to influence important biological processes has been demonstrated in few selected important genes and more recently in a global manner across the transcriptome. RNA G-quadruplexes are implicated in fundamental processes such as translational regulation, alternative splicing, mRNA transport and telomere homeostasis to name a few. The involvement of these structures in key biological processes makes them attractive targets for therapeutic interventions. Here we discuss the structural features of RNA G-quadruplex that make it more monomorphic to develop ligands unlike the polymorphic DNA G-quadruplexes. Furthermore, the role of RNA G-quadruplexes in important genes involved in diseases and disorders such as neurodegeneration, cancer and viral infections has been highlighted. A summary of ligands and their established roles in targeting RNA G-quadruplex structures has been discussed in context of important processes. Moreover, we highlight the need to develop ligands that are highly specific in targeting RNA G-quadruplexes, a new target to restore homeostasis in dysregulated conditions.

}, doi = {10.1007/7355_2016_22}, author = {Pandey,Satyaprakash and Agarwala, Prachi and Maiti,Souvik} } @article {43375, title = {Temperature and pH dual stimuli responsive PCL- b -PNIPAAm block copolymer assemblies and the cargo release studies}, journal = {Journal of Polymer Science Part A Polymer Chemistry}, volume = {55}, year = {2017}, month = {FEB}, pages = {1383-1396}, type = {Article}, chapter = {1383-1396}, abstract = {A new atom transfer radical polymerization (ATRP) initiator, namely, 2-(1-(2-azidoethoxy)ethoxy)ethyl 2-bromo-2-methylpropanoate containing both {\textquotedblleft}cleavable{\textquotedblright} acetal linkage and {\textquotedblleft}clickable{\textquotedblright} azido group was synthesized. Well-defined azido-terminated poly(N-isopropylacrylamide)s (PNIPAAm-N3)s with molecular weights and dispersity in the range 11,000{\textendash}19,000 g mol-1 and 1.20{\textendash}1.28, respectively, were synthesized employing the initiator by ATRP. Acetal containing PCL-b-PNIPAAm block copolymer was obtained by alkyne{\textendash}azide click reaction of azido-terminated PNIPAAm-N3 with propargyl-terminated PCL. Critical aggregation concentration (CAC) of PCL-b-PNIPAAm copolymer in aqueous solution was found to be 8.99 {\texttimes} 10-6 M. Lower critical solution temperature (LCST) of PCL-b-PNIPAAm copolymer was found to be 32 {\textdegree}C which was lower than that of the precursor PNIPAAm-N3 (36.4 {\textdegree}C). The effect of dual stimuli viz. temperature and pH on size and morphology of the assemblies of PCL-b-PNIPAAm block copolymer revealed that the copolymer below LCST assembled in spherical micelles which subsequently transformed to unstable vesicles above the LCST. Heating these assemblies above 40 {\textdegree}C led to the precipitation of PCL-b-PNIPAAm block copolymer. Whereas, at decreased pH, micelles of PCL-b-PNIPAAm copolymer disintegrate due to the cleavage of acetal linkage and precipitation of hydrophobic hydroxyl-terminated PCL. The encapsulated pyrene release kinetics from the micelles of synthesized PCL-b-PNIPAAm copolymer was found to be faster at higher temperature and at lower pH. {\textcopyright} 2017 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2017}, doi = {10.1002/pola.28508}, author = {Patil, Sachin S. and Wadgaonkar, Prakash} } @article {45725, title = {Temperature-induced misfolding in prion protein: evidence of multiple partially disordered states stabilized by non-native hydrogen bonds}, journal = {Biochemistry}, volume = {56}, year = {2017}, month = {FEB }, pages = {833-844}, type = {Article}, abstract = {

The structural basis of pathways of misfolding of a cellular prion (PrPc) into the toxic scrapie form (PrPsc) and identification of possible intermediates (e.g., PrP*) still eludes us. In this work, we have used a cumulative us of replica exchange molecular dynamics simulation data to construct the conformational free energy landscapes and capture the structural and thermodynamic characteristics associated with various stages of the thermal denaturation process in human prion protein. The temperature-dependent free energy surfaces consist of multiple metastable states stabilized by non-native contacts and hydrogen bonds, thus rendering the protein prone to misfolding. We have been able to identify metastable conformational states with high beta-content (similar to 30-40\%) and low alpha-content (similar to 10-20\%) that might be precursors of PrPsc oligomer formation. These conformations also involve participation of the unstructured N-terminal domain, and its role in misfolding has been investigated. All the misfolded or partially unfolded states are quite compact in nature despite having large deviations from the native structure. Although the number of native contacts decreases dramatically at higher temperatures, the radius of gyration and number of intraprotein hydrogen bonds and contacts remain relatively unchanged, leading to stabilization of the misfolded conformations by non-native interactions. Our results are in good agreement with the established view that the C-terminal regions of the second and third helices (H2 and H3, respectively) of mammal prions might be the Achilles heels of their stability, while separation of B1-H1-B2 and H2-H3 domains seems to play a key role, as well.

}, issn = {0006-2960}, doi = {10.1021/acs.biochem.6b01042}, author = {Chamachi, Neharika G. and Chakrabarty, Suman} } @article {43928, title = {Template -free assembly in living bacterial suspension under an external electric field}, journal = {ACS Omega}, volume = {2}, year = {2017}, month = {MAR}, pages = {1019-1024}, type = {Journal Article}, abstract = {

Although template-assisted self-assembly methods are very popular in materials and biological systems, they have certain limitations such as lack of tunability and switchable functionality because of the irreversible association of cells and their matrix components. With an aim to achieve more tunability, we have made an attempt to investigate the self-assembly behavior of rod-shaped living bacteria subjected to an external alternating electric field using confocal microscopy. We demonstrate that rod-shaped living bacteria dispersed in a low salinity aqueous medium form different types of reversible freely suspended structures when subjected to an external alternating electric field. At low field strength, an oriented phase is observed where individual bacterium orients with its major axis aligned along the field direction. At intermediate field strength, bacteria align in the form of one-dimensional (1D) chains that lie along the field direction. Further, at high field strength, more bacteria associate with these 1D chains laterally to form a two-dimensional (2D) array. At higher bacterial concentration, these field-induced 2D arrays extend to form three-dimensional columnar structures. These results are discussed in the context of previously reported studies on bacterial self-assembly.

}, keywords = {Bacteria, Electric Properties, Self- Assembly}, doi = {10.1021/acsomega.6b00541}, author = {Samantaray, Kunal and Bhol, Prachi and Sahoo, Bhaban and Barik, Subrat Kumar and Jathavedan, Kiran and Sahu, Bikash Ranjan and Bikash Ranjan and Suar, Mrutyunjay and Bhat, Suresh K. and Mohanty, Priti Sunda} } @article {44039, title = {Tf2NH-catalyzed 1,6-conjugate addition of vinyl azides with p-quinone methides: a mild and efficient method for the synthesis of β-bis-arylamides}, journal = {Synthesis}, year = {2017}, month = {JAN}, type = {Article}, abstract = {Tf2NH-catalyzed tandem 1,6-conjugate addition/Schmidt type rearrangement using vinyl azides and p-quinone methides to access a variety of β-bis-arylated amides is reported. The method is quick, efficient, mild, and high yielding with broad substrate scope.}, doi = {10.1055/s-0036-1588546}, author = {Rathod, Jayant and Sharma, Brijesh M. and Mali, Pramod S. and Kumar, Pradeep} } @article {43645, title = {Thermally conductive thin films derived from defect free graphene-natural rubber latex nanocomposite: preparation and properties}, journal = {Carbon}, volume = {119}, year = {2017}, month = {AUG}, pages = {527-534}, abstract = {Commercially useful rubber products viz. gloves, condoms, tyres, and rubber hoses used in high temperature environments, etc., require efficient thermal conductivity, which increases the lifetime of these products. Graphene can fetch this property, if it is effectively incorporated into the rubber matrix. The great challenge in preparing graphene-rubber nanocomposites is formulating a scalable method to produce defect free graphene and its homogeneous dispersion into polymer matrices through an aqueous medium. Here, we used a simple method to produce defect free few layer (2-5) graphene, which can be easily dispersed into natural rubber (NR) latex without adversely affecting its colloidal stability. The resulting new composite showed large increase in thermal conductivity (480-980\%) along with 40\% increase in tensile properties and 60\% improvement in electrical conductivity. This study provides a novel and generalized approach for the preparation of graphene based thermally conductive rubber nanocomposites. (C) 2017 The Authors. Published by Elsevier Ltd.}, doi = {10.1016/j.carbon.2017.04.068}, author = {George, Gejo and Sisupal, Suja Bhargavan and Tomy, Teenu and Pottammal, Bincy Akkoli and Kumaran, Alaganandam and Suvekbala, Vemparthan and Gopimohan, Rajmohan and Sivaram, Swaminathan and Ragupathy, Lakshminarayanan} } @article {45711, title = {Thermodynamic and molecular origin of interfacial rate enhancements and endo-selectivities of a Diels-Alder reaction}, journal = {Physical Chemistry Chemical Physics}, volume = {19}, year = {2017}, month = {FEB }, pages = {4297-4306}, type = {Article}, abstract = {

Organic reactions in general display large rate accelerations when performed under interfacial conditions, such as on water or at ionic liquid interfaces. However, a clear picture of the physicochemical factors responsible for this large rate enhancements is not available. To gain an understanding of the thermodynamic and molecular origin of these large rate enhancements, we performed a Diels-Alder reaction between cyclopentadiene and methyl acrylate at ionic liquid/n-hexane interfaces. This study describes, for the first time, a methodology for the calculation of the activation parameters of an interfacial reaction. It has been seen that the energy of activation for an interfacial reaction is much smaller than that of the corresponding homogeneous reaction, resulting into the large rate acceleration for the interfacial reaction. Furthermore, the study describes the effects of the alkyl chain length of ionic liquid cations, the extent of heterogeneity, and the polarity of ionic liquids on the rate constants and stereoselectivity of the reaction.

}, issn = {1463-9076}, doi = {10.1039/c6cp07405g}, author = {Beniwal, Vijay and Kumar, Anil} } @article {43986, title = {Thermodynamics of high polymer solutions}, journal = {Resonance}, volume = {22}, year = {2017}, month = {APR}, pages = {415-426}, type = {Article}, issn = {0971-8044}, doi = {10.1007/s12045-017-0481-2}, author = {Kumaraswamy, G.} } @article {44137, title = {Thermomechanical effect in molecular crystals: the role of halogen-bonding interactions}, journal = {IUCRJ}, volume = {4}, year = {2017}, month = {NOV}, pages = {812-823}, type = {Article}, abstract = {The design and synthesis of mechanically responsive materials is interesting because they are potential candidates to convert thermal energy into mechanical work. Reported in this paper are thermosalient effects in a series of halogen derivatives of salinazids. The chloro derivative, with higher electronegativity and a weaker inter-halogen bond strength (Cl center dot center dot center dot Cl) exhibits an excellent thermal response, whereas the response is weaker in the iodo derivative with stronger I center dot center dot center dot I halogen bonding. 3,5-Dichlorosalinazid (Compound-A) exists in three polymorphic forms, two room-temperature polymorphs (Forms I and II) and one high-temperature modification (Form III). The transformation of Form I to Form III upon heating at 328-333 K is a reversible thermosalient transition, whereas the transformation of Form II to Form III is irreversible and nonthermosalient. 3,5-Dibromo- (Compound-B) and 3-bromo-5-chloro(Compound-C) salinazid are both dimorphic: the Form I to Form II transition in Compound-B is irreversible, whereas Compound-C shows a reversible thermosalient effect (362-365 K). In the case of 3,5-diiodosalinazid (CompoundD) and 3,5-difluorosalinazid (Compound-E), no phase transitions or thermal effects were observed. The thermosalient behaviour of these halosalinazid molecular crystals is understood from the anisotropy in the cell parameters (an increase in the a axis and a decrease in the b and c axes upon heating) and the sudden release of accumulated strain during the phase transition. The dihalogen salinazid derivatives (chlorine to iodine) show a decrease in thermal effects with an increase in halogen-bond strength. Interestingly, Compound-B shows solid-state photochromism in its polymorphs along with the thermosalient effect, wherein Form I is cyan and Form II is light orange.}, doi = {10.1107/S2052252517014658}, author = {Mittapalli, Sudhir and Perumalla, D. Sravanakumar and Nanubolu, Jagadeesh Babu and Nangia, Ashwini} } @article {43774, title = {Thermo-responsive PNIPAM-metal hybrids: an efficient nanocatalyst for the reduction of 4-nitrophenol}, journal = {Applied Surface Science}, volume = {420}, year = {2017}, month = {OCT}, pages = {753-763}, type = {Article}, abstract = {Micron size thermoresponsive cross-linked polymeric microgels of poly(N-isopropylacrylamide) (PNIPAM) are used as "microreactor" for embedding metal nanoparticles of different shapes. Using a simple and robust method, we have synthesized various polymer-metal hybrid nanostructures incorporated with Au nanorods (AuNR), Au nanospheres (AuNS) and Ag nanospheres (AgNS). These hybrid nanostructures have been characterized by transmission electron microscope (TEM), UV-vis spectroscopy, dynamic light scattering (DLS) and static light scattering (SLS) followed by their catalytic activity. TEM studies directly confirmed the mondispersity of synthesized hybrid microgels and stability of the embedded metal nanoparticles within the microgels. Optical studies confirmed the presence of respective absorption bands that correspond to AuNS, AgNS and AuNR respectively. Extensive DLS studies demonstrated that although these hybrid microgels preserve their thermoresponsive properties, i.e their hydrodynamic radius decreased with increasing temperature, their thermosensitivity were comparatively lesser than pure PNIPAM microgels. Combining with studies using static light scattering, we further found that AuNS and AgNS were inhomogeneously distributed within microgels where the majority of the nanoparticles present within the loosely cross-linked shell. On the other hand AuNR were distributed more homogeneously within the microgels. Catalytic performance of various nanostructures loaded onto PNIPAM microgel beads were evaluated by studying the catalytic reduction of 4-nitrophenol. Complete catalytic conversion using AgNS occurred in similar to 30 min with a first-order rate constant of 0.159 min(-1) having a 7 min induction period. On the other hand no induction period was observed for AuNS and AuNR and the reaction completed in 3-4 min with a first-order rate constant of 1.607 min(-1) and 1.627 min(-1) respectively. Further, PNIPAM-AuNS and PNIPAM-AuNR possess better catalytic activity as well as recyclability compared to that of PNIPAM-AgNS. (C) 2017 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.apsusc.2017.05.172}, author = {Satapathy, Smith Sagar and Bhol, Prachi and Chakkarambath, Aswathy and Mohanta, Jagdeep and Samantaray, Kunal and Bhat, Suresh K. and Panda, Subhendu K. and Mohanty, Priti S. and Si, Satyabrata} } @article {43342, title = {Thermo-reversible sol-gel transition of aqueous solutions of patchy polymers}, journal = {RSC Advances}, volume = {7}, year = {2017}, month = {JAN}, pages = {5101-5110}, abstract = {While aqueous solutions of several amphiphilic thermo-reversible polymers show gelation upon heating, there are fewer examples of polymer solutions that exhibit gelation when cooled. This paper reports an interesting phenomenon of abrupt thermoreversible gelation of aqueous solutions of a hydrophobically modified polymer upon cooling. A high molecular weight precursor copolymer (PCP, (M-w) over bar approximate to 5 x 10(6) g mol(-1)) of N, N-dimethylacrylamide (70 mol\%) and acrylic acid (30 mol\%) was modified by reacting 10 mol\% of the acrylic acid groups with n-dodecyl amine to form a hydrophobically modified copolymer (HMCP). The composition of the copolymer was ascertained using NMR spectroscopy. Cooling the solution of PCP at a controlled rate resulted in a gradual increase in its low shear viscosity as dictated by the flow activation energy. In contrast, cooling the solution of HMCP under identical conditions resulted in an abrupt and large non-Arrhenius increase in viscosity at a specific transition temperature, which decreased with decrease in polymer concentration. Fluorescence measurements and dynamic light scattering data showed that abrupt gelation happened upon cooling, when polymer coils percolate accompanied with concomitant transition in chain conformation from compact micellar coils formed by intra-chain hydrophobic associations to swollen polymer coils connected by inter-chain hydrophobic interactions.}, doi = {10.1039/c6ra27030a}, author = {Parmar, Indravadan A. and Shedge, Aarti S. and Badiger, Manohar V. and Wadgaonkar, Prakash P. and Lele, Ashish K.} } @article {43901, title = {Thermotropic liquid crystalline polyesters derived from 2-chloro hydroquinone}, journal = {Journal of Chemical Sciences}, volume = {129}, year = {2017}, month = {SEP}, chapter = {1461-1468}, abstract = {

Synthesis of thermotropic liquid crystalline polyesters derived from bis[4-hydroxy benzoyloxy]-2-chloro-1,4-benzene (BHBOCB) and aliphatic dicarboxylic acid chlorides by interfacial polycondensation methodology is presented. Synthesised polyesters consist of bis[4-hydroxy benzoyloxy]-2-chloro-1,4-benzene as a mesogen and aliphatic diacid chloride as flexible spacer. The length of oligomethylene units in the polymer was varied from the trimethylene to the dodecamethylene groups. Synthesized polyesters were characterized by differential scanning calorimetry and optical microscopy. The transition temperatures and thermodynamic properties were studied for all these polymers. These polyesters exhibited thermotropic liquid crystalline behavior and showed nematic texture except decamethylene spacer. Decamethylene spacer based polyester showed marble texture of smectic C. Mesophase stability of these polyesters was higher than (except first heating cycle of PE-1).\ 

SYNOPSIS The present study deals with the synthesis of thermotropic liquid crystalline polyesters derived from bis[4-hydroxy benzoyloxy]-2-chloro-1,4-benzene (BHBOCB) and aliphatic dicarboxylic acid chlorides by interfacial polycondensation methodology.

}, keywords = {acid, Aliphatic Flexible Spacers Main-chain, Aromatic Mesogen, Elastomer, Morphology, Polydomain, Polymers, Thermotropic Liquid Crystalline Polyesters, Units}, doi = {10.1007/s12039-017-1342-y}, author = {Manurkar, Nagesh and More, Sayaji and Mulani, Khudbudin and Ganjave, Nitin and Chavan, Nayaku} } @article {43991, title = {Three in one: prototropy-free highly stable AADD-type self-complementary quadruple hydrogen-bonded molecular duplexes with built-in fluorophore}, journal = {Chemical Communications}, volume = {53}, year = {2017}, month = {FEB}, type = {Article}, abstract = {This communication reports an effective approach for addressing the prototropy-related problems in heterocycle-based AADD-type self-assembling systems by freezing their hydrogen-bonding codes, by utilizing intramolecular bifurcated hydrogen bonding interactions. Using this strategy, we have also developed a hydroquinone-conjugated AADD-type self-assembling system adorned with three valuable features such as prototropy-free dimerization yielding single duplexes, high duplex stability and a built-in fluorophore, which would augment its application potential. The rational approach used herein to arrest prototropic shift may also find application elsewhere, wherein proton shift-mediated structural changes become a detrimental factor.}, doi = {10.1039/C6CC09478C}, author = {Kheria, Sanjeev and Rayavarapu, Suresh and Kotmale, Amol S. and Sanjayan, Gangadhar J.} } @article {43888, title = {TiO2/RGO composites: Its achievement and factors involved in hydrogen production}, journal = {Renewable \&sustainable energy reviews}, volume = {76}, year = {2017}, month = {SEP}, pages = {1384-1392}, type = {Article}, abstract = {

The immense potential shown by TiO2 to participate as a designer material resulting into a new class of high performing photocatalyst has acclaimed it to become an important player in the designing and synthesis of various solar harvesting materials. This role has further been explored by the introduction of graphene into TiO2 matrix. TiO2/reduced graphene oxide (TiO2/RGO) or TiO2/graphene (TiO2/GR) has shown its prospects or relevance to be considered as the next generation photocatalyst for hydrogen production by its reported values in terms of producing hydrogen gas. Hence, there is a requirement of having a detailed up to date write up on the work done in this area in terms of its synthetic procedures, properties and its effect on hydrogen production. Herein, we discuss the different methods involved in the synthesis of such highly efficient materials followed by a brief explanation on its structural and morphological properties. Furthermore, a comparative study on the recent developments in terms of hydrogen evolution efficiency along with a mechanistic approach is also described. Finally, the current challenge and possibility of the future development in this direction is emphasized.

}, keywords = {Au-tio2 Photocatalysts, Evolution, Generation, graphene, Hydrogen generation, Nanocomposite, Nitrogen-doped Tio2, Photocatalysis, Photocatalytic H-2 Production, Recent Progress, Reduced graphene oxide, TiO2, Tio2-graphene Nanocomposites, Visible-light Irradiation, Water}, issn = {1364-0321}, doi = {10.1016/j.rser.2017.03.1}, author = {Gupta, Bhavana and Melvin, Ambrose A.} } @article {45751, title = {Total synthesis of (+/-)-allocolchicine and its analogues using Co-catalyzed alkyne [2}, journal = {ACS Omega}, volume = {2}, year = {2017}, month = {SEP}, pages = {5591-5600}, type = {Article}, abstract = {

The total synthesis of (+/-)-allocolchicine has been completed by employing cobalt-catalyzed alkyne [2 + 2 + 2]-cyclotrimerization as the key reaction. The essential diyne has been synthesized from easily available 3,4,5-trimethoxybenzaldehyde following simple chemical transformations. In general, the cycloaddition gave a mixture of C(9) and C(10) isomers thus allowing the synthesis of both allocolchicine and its C(10)-carboxylate. Because this cycloaddition was employed at the penultimate stage, it allowed the synthesis of various analogues having the diverse functionality at C(9) and/or C(10) of ring C.

}, issn = {2470-1343}, doi = {10.1021/acsomega.7b00980}, author = {Paymode, Dinesh J. and Ramana, Chepuri V.} } @article {44043, title = {Total synthesis of bioactive canthine alkaloid cordatanine comprising in situ double oxidative aromatization of tetrahydrocarbazole}, journal = {ACS Omega}, volume = {2}, year = {2017}, month = {JUL}, chapter = {3945-3950}, abstract = {

Starting from tryptamine and methoxymaleic anhydride, concise and efficient total synthesis of cordatanine has been accomplished via regioselective reduction of methoxymaleimide, acid-catalyzed intramolecular cyclization of the formed lactamol, in situ stepwise oxidations leading to aromatization, and intramolecular cyclization with the exchange of N-regioselectivity. An attempted synthesis of regioisomeric natural product zanthochilone has been described in brief with reversal of reduction selectivity.\ 

}, issn = {2470-1343}, doi = {10.1021/acsomega.7b00609}, author = {Shelar, S. V. and N. P. Argade} } @article {43531, title = {Total synthesis of natural fregenedadiol and its diacetate, rearranged labdanes with aromatized B ring}, journal = {Tetrahedron Letters}, volume = {58}, year = {2017}, month = {MAR}, pages = {1262-1264}, abstract = {Labdane based natural products are most abundant and widely distributed in nature with many compounds exhibiting exceptional biological properties. Fregenedadiol is a bicyclic diterpene isolated from Halimium viscosum and represents a new carbon skeleton fregenedane with its B ring aromatized. Here, we report a total synthesis of this interesting natural product using one-pot Diels-Alder/aromatization sequence and selective hydrogenolysis as key steps. (C) 2017 Elsevier Ltd. All rights reserved.}, doi = {10.1016/j.tetlet.2017.02.010}, author = {Philkhana, Satish Chandra and Reddy, D. Srinivasa} } @article {44117, title = {Total synthesis of propolisbenzofuran B}, journal = {Organic Letters}, volume = {19}, year = {2017}, month = {DEC}, pages = {6466-6469}, type = {Article}, abstract = {An efficient synthesis of propolisbenzofuran B, which possesses promising anticancer activity, is reported. The key cyclohexanone framework of this tricyclic natural product has been constructed employing a Rh-catalyzed intramolecular olefin hydroacylation. The requisite key olefin intermediate was synthesized by using gold-catalyzed allenyl ether [1,3] O -> C rearrangement.}, doi = {10.1021/acs.orglett.7b02732}, author = {Srinivas, Kolluru and Ramana, Chepuri V.} } @article {44151, title = {Total synthesis of (+/-)/(+)-subincanadine E and determination of absolute configuration}, journal = {Journal of Organic Chemistry}, volume = {82}, year = {2017}, month = {OCT}, pages = {11126-11133}, type = {Article}, abstract = {A facile synthesis of (+/-)-subincanadine E was described from tryptamine-based maleimide. 1,2-Addition of Grignard reagent to maleimide, internal activation of formed lactamol for in situ 1,4-addition of Grignard reagent, and associated position-specific allylic rearrangement in diastereoselective Pictet-Spengler cyclization were the key steps. Enantioselective first total synthesis of naturally occurring cytotoxic (+)-subincanadine E was also accomplished from (S)-acetoxysuccinimide via an unusual syn-addition of cuprate to the alpha/beta-unsaturated lactam. Sinister absolute configuration was assigned to (+)-subincanadine E on the basis of total synthesis. (S)-Acetoxy group in the succinimide precursor was initially employed to impart regio- and stereoselectivity and then as a suitable leaving group to generate the desired conjugated lactam.}, doi = {10.1021/acs.job.7b02122}, author = {Kalshetti, Manojkumar G. and N. P. Argade} } @article {45671, title = {Total synthesis of tetrahydroisoquinoline-based bioactive natural products laudanosine, romneine, glaucine, dicentrine, and their unnatural analogues isolaudanosine and isoromneine}, journal = {Synthesis-Stuttgart}, volume = { 49 }, year = {2017}, month = {APR}, pages = {1655-1663}, type = {Article}, abstract = {Starting from suitably substituted homophthalic acids, total synthesis of titled alkaloids have been demonstrated in very good yields. The obtained natural products laudanosine and romneine were utilized to accomplish synthesis of two isoquinoline-based alkaloids glaucine and dicentrine. Base-induced selective generation of two different types of benzylic carbanions, their coupling reactions with 3,4-dimethoxybenzyl mesylate, and the regioselective iodination followed by intramolecular aryl-aryl coupling reactions to form the fused biaryl systems were the strategic steps.}, doi = {10.1055/s-0036-1588920}, author = {Jangir, Ravi and Argade, Narshinha P.} } @article {43799, title = {Transcriptional transitions in alphonso mango (Mangifera indica L.) during fruit development and ripening explain its distinct aroma and shelf life characteristics}, journal = {Scientific Reports}, volume = {7}, year = {2017}, month = {AUG}, type = {Article}, abstract = {Alphonso is known as the "King of mangos" due to its unique flavor, attractive color, low fiber pulp and long shelf life. We analyzed the transcriptome of Alphonso mango through Illumina sequencing from seven stages of fruit development and ripening as well as flower. Total transcriptome data from these stages ranged between 65 and 143 Mb. Importantly, 20,755 unique transcripts were annotated and 4,611 were assigned enzyme commission numbers, which encoded 142 biological pathways. These included ethylene and flavor related secondary metabolite biosynthesis pathways, as well as those involved in metabolism of starch, sucrose, amino acids and fatty acids. Differential regulation ( p-value <= 0.05) of thousands of transcripts was evident in various stages of fruit development and ripening. Novel transcripts for biosynthesis of mono-terpenes, sesqui-terpenes, di-terpenes, lactones and furanones involved in flavor formation were identified. Large number of transcripts encoding cell wall modifying enzymes was found to be steady in their expression, while few were differentially regulated through these stages. Novel 79 transcripts of inhibitors of cell wall modifying enzymes were simultaneously detected throughout Alphonso fruit development and ripening, suggesting controlled activity of these enzymes involved in fruit softening.}, doi = {10.1038/s41598-017-08499-5}, author = {Deshpande, Ashish B. and Anamika, Krishanpal and Jha, Vineet and Chidley, Hemangi G. and Oak, Pranjali S. and Kadoo, Narendra Y. and Pujari, Keshav H. and Giri, Ashok P. and Gupta, Vidya S.} } @article {43734, title = {Transition metal, azide, and oxidant-free homo- and heterocoupling of ambiphilic tosylhydrazones to the regioselective triazoles and pyrazoles}, journal = {Organic Letters}, volume = {19}, year = {2017}, month = {APR}, pages = {1534-1537}, type = {Article}, abstract = {With N-tosylhydrazone as an ambiphilic reagent, an unprecedented cyclization reaction of two identical or different tosylhydrazones has been developed to access various 4,5-disubstituted-2H-triazoles under transition metal, azide, and oxidant-free conditions. A mechanistic.rationalization study led to the identification of several electronically diverse unsaturated systems for regioselective synthesis of 1- and 2-substituted 1,2,3-triazoles and pyrazoles.}, doi = {10.1021/acs.orglett.7b00313}, author = {Panda, Subhankar and Maity, Pradip and Manna, Debasis} } @article {43485, title = {Transition metal catalysis-a unique road map in the stereoselective synthesis of 1,3-polyols}, journal = {Organic \& Biomolecular Chemistry}, volume = {15}, year = {2017}, month = {JAN}, pages = {733-761}, abstract = {The present review summarizes recent diverse reactions employed in the formation of 1,3-polyols providing an overview of the mechanistic pathway and the enantioselectivity obtained, in terms of the properties of transition metals directly involved in the catalytic transformations and their interaction with various ligands.}, doi = {10.1039/c6ob01925k}, author = {Kumar, Pradeep and Tripathi, Divya and Sharma, Brijesh M. and Dwivedi, Namrata} } @article {43388, title = {Transition metal free catalytic hydroboration of aldehydes and aldimines by amidinato silane}, journal = {Dalton Transactions}, volume = {46}, year = {2017}, month = {FEB}, pages = {2420 - 2424}, abstract = {The transition metal free catalytic hydroboration of aldehydes and ketones is very limited and has not been reported with a well-defined silicon(iv) compound. Therefore, we chose to evaluate the previously reported silicon(iv) hydride [PhC(NtBu)2SiHCl2], (1) as a single component catalyst and found that it catalyzes the reductive hydroboration of a range of aldehydes with pinacolborane (HBpin) under ambient conditions. In addition, compound 1 can catalyze imine hydroboration. DFT calculation was carried out to understand the mechanism.}, doi = {10.1039/C6DT04893E}, author = {Bisai, Milan and Pahar, Sanjukta and Das, Tamal and Sen, Sakya S.} } @article {43490, title = {Triazine-based highly stable AADD-type self-complementary quadruple hydrogen-bonded systems devoid of prototropy}, journal = {Chemistry-A European Journal}, volume = {23}, year = {2017}, month = {JAN}, pages = {783-787}, abstract = {

A new class of 1,3,5-triazine-based quadruple hydrogen-bonded system featuring AADD-type self-complementary arrays has been developed and characterized. This system forms highly stable molecular duplex in non-polar solvent (K-dim \> 1.9 x 10(7) M-1 in CDCl3) without prototropy-related issues, raising its prospects for application in supramolecular polymer science.

}, doi = {10.1002/chem.201605208}, author = {Kheria, Sanjeev and Rayavarapu, Suresh and Kotmale, Amol S. and Gonnade, Rajesh G. and Sanjayan, Gangadhar J.} } @article {43055, title = {Tri-tert-butanolamine as an organic promoter in nucleophilic fluorination}, journal = {ChemistrySelect}, volume = {2}, year = {2017}, month = {JAN}, pages = {118-122}, type = {Article}, abstract = {

Tri-tert-butanol amine acts as promoter with alkali metal salts in the nucleophilic fluorination of alkylsulfonates. It significantly enhances the reactivity of alkali metal salts with minimum formation of side-products (alkene, ether, and alcohol) com-pared to other catalysts in fluorination reaction. The synergism of tert-alcohol and amine moiety plays a pivotal role in fluorination.

}, doi = {10.1002/slct.201601735}, author = {Shinde, Sandip S. and Khonde, Nilesh and Kumar, P.} } @article {43536, title = {Tubulointerstitial nephritis antigen-like 1 protein is downregulated in the placenta of pre-eclamptic women}, journal = {Clinical Proteomics}, volume = {14}, year = {2017}, month = {MAR}, pages = {Article Number: 8}, abstract = {Background: Tubulointerstitial nephritis antigen-like 1 protein (TINAGL1), is a matricellular protein, known to play role in cell adhesion and cell receptor interaction. Research related to TINAGL1 is limited to cell culture and animal models. Demonstration of TINAGL1 as a positive regulator of angiogenesis and its expression in the decidua of postimplantation mouse uterus, prompted us to validate its expression in human placenta during impaired angiogenesis in pre-eclamptic condition. Methods: Placental tissue from normotensive (n = 25) and pre-eclamptic (n = 25) pregnancies were used to study the differentially expressed proteins by two-dimensional gel electrophoresis and TINAGL1 protein was validated with Western blotting. Results: A total of 55 protein spots were differentially expressed (fold change > 1.5, p < 0.05), of which 27 were upregulated and 28 were downregulated in the pre-eclamptic placenta. TINAGL1 was found to be downregulated in pre-eclamptic compared to normotensive pregnant women. Conclusion: This is the first study reporting TINAGL1 to be present in human placenta and differentially expressed in pre-eclamptic condition. The functional role of TINAGL1 in association to human pregnancy needs to be explored further.}, doi = {10.1186/s12014-017-9144-2}, author = {Mary, Sheon and Kulkarni, Mahesh J. and Mehendale, Savita S. and Joshi, Sadhana R. and Giri, Ashok P.} } @article {45707, title = {Tuning of the magnetostrictive properties of cobalt ferrite by forced distribution of substituted divalent metal ions at different crystallographic sites}, journal = {Journal of Applied Physics}, volume = {121}, year = {2017}, month = {MAR}, type = {Article}, abstract = {Comparative studies have been made to understand the role of different crystallographic site preferences of the substituted non-magnetic divalent metal ions in the magnetostrictive properties of cobalt ferrite, by substitution of Zn2+ and/or Mg2+ for Fe3+ in CoMgxFe2-xO4, CoZnxFe2-xO4, and CoMgx/2Znx/2Fe2-xO4 (0.0 <= x <= 0.2). Detailed Raman spectral and magnetic characterizations are made to extract the information on the tetrahedral/octahedral site preferences of Zn and Mg in the spinel lattice of cobalt ferrite. The structural, microstructural, magnetic, Raman spectral, and magnetostrictive parameters of the studied compositions show distinguishable variations for x< 0.1 and x >= 0.1. Co-substitution of a small amount of Mg and Zn for Fe in CoMgx/2Znx/2Fe2-xO4 (x < 0.1) showed relatively larger strain sensitivity, [d lambda/dH](max) (-2.6 x 10(-9) mA(-1) for x = 0.05), higher than that for the Mg-substituted samples (-2.05 x 10(-9) mA(-1) for x = 0.05) and comparable to that for the Zn-substituted samples (-2.47 x 10(-9) mA(-1) for x = 0.05), without much drop in the maximum value of magnetostriction, lambda(max) (-189 ppm for x = 0.05) compared to that for the unsubstituted counterpart (-221 ppm). The results show that it is possible to obtain high strain sensitivity (at fields < 50 kA/m), along with high magnetostriction strain at low magnetic fields (similar to 250 kA/m), by tuning the distribution of the substituted cations in the tetrahedral and octahedral sites of the cobalt ferrite lattice. Published by AIP Publishing.}, doi = {10.1063/1.4977758}, author = {Anantharamaiah, P. N. and Joy, P. A.} } @article {43736, title = {Two-dimensional infrared spectroscopy reveals cosolvent-composition-dependent crossover in intermolecular hydrogen bond dynamics}, journal = {Journal of Physical Chemistry Letters}, volume = {8}, year = {2017}, month = {APR}, pages = {1604-1609}, type = {Article}, abstract = {Cosolvents have versatile composition-dependent applications in chemistry and biology. The simultaneous presence of hydrophobic and hydrophilic groups in dimethyl sulfoxide (DMSO), an industrially important amphiphilic cosolvent, when combined with the unique properties of water, plays key roles in the diverse fields of pharmacology, cryoprotection, and cell biology. Moreover, molecules dissolved in aqueous DMSO exhibit an anomalous concentration-dependent nonmonotonic behavior in stability and activity near a critical DMSO mole fraction of 0.15. An experimental identification of the origin of this anomaly can lead to newer chemical and biological applications. We report a direct spectroscopic observation of the anomalous behavior using ultrafast twodimensional infrared spectroscopy experiments. Our results demonstrate the cosolventconcentration-dependent nonmonotonicity arises from nonidentical mechanisms in ultrafast hydrogen-bond-exchange dynamics of water above and below the critical cosolvent concentration. Comparison of experimental and theoretical results provides a molecular-level mechanistic understanding: a distinct difference in the stabilization of the solute through dynamic solute solvent interactions is the key to the anomalous behavior.}, doi = {10.1021/acs.jpclett.7b00270}, author = {Kashid, Somnath M. and Jin, Geun Young and Chakrabarty, Suman and Kim, Yung Sam and Bagchi, Sayan} } @article {44149, title = {Two-phase system for the clean and high yield synthesis of furylmethane derivatives over- SO3H functionalized ionic liquids}, journal = {Green Chemistry}, volume = {19}, year = {2017}, month = {OCT}, pages = {4804-4810}, type = {Article}, abstract = {A new and effective unique two-phase reaction system is investigated for the high yield production of tri(furyl) methane from furfural and furan. This strategy includes the use of an acidic aqueous phase (water + -SO3H functionalized IL) and furan phase, which significantly suppresses polymer formation, thereby increasing the yield of tri(furyl) methane. Furan serves as a reactant as well as an extraction solvent for the recovery of the condensation products. For comparison, different -SO3H functionalized ionic liquids are prepared and their performances evaluated for the condensation of furan and furfural. The ionic liquids with alkyl chain linkers are found to be more effective and acidic than those with imidazolium linked N-sulfonic acids. In addition, an increase in carbon chain length between imidazole/tri-ethylamine/pyridine and -SO3H, increases the catalytic activity of the respective ionic liquids. Among the several prepared ionic liquids, the strongly acidic imidazolium based butylsulfonic acid 6 shows the best activity with a maximum condensation product yield of 84\%. This strategy offers a significantly high yield of the condensation products of furan and furfural compared to the traditional mineral acid route. The activity and stability of the -SO3H functionalized 6 is confirmed from seven successful recycles, in which there is no reduction in its activity. Finally, this new strategy is successfully extended for the condensation of furan derivatives (e. g. furan and 2-methylfuran) with several different aldehydes, ketones and alcohols.}, doi = {10.1039/c7gc01654a}, author = {Shinde, S. H. and Rode, C. V.} } @article {44494, title = {Targeted phenotypic screening in plasmodium falciparum and toxoplasma gondii reveals novel modes of action of medicines for malaria venture malaria box molecules}, journal = {mSphere}, volume = {3}, year = {2018}, month = {JAN}, pages = { e00534-17}, type = {Journal Article}, abstract = {The Malaria Box collection includes 400 chemically diverse small molecules with documented potency against malaria parasite growth, but the underlying modes of action are largely unknown. Using complementary phenotypic screens against Plasmodium falciparum and Toxoplasma gondii, we report phenotype-specific hits based on inhibition of overall parasite growth, apicoplast segregation, and egress or host invasion, providing hitherto unavailable insights into the possible mechanisms affected. First, the Malaria Box library was screened against tachyzoite stage T. gondii and the half-maximal effective concentrations (EC50s) of molecules showing >=80\% growth inhibition at 10 {\textmu}M were determined. Comparison of the EC50s for T. gondii and P. falciparum identified a subset of 24 molecules with nanomolar potency against both parasites. Thirty molecules that failed to induce acute growth inhibition in T. gondii tachyzoites in a 2-day assay caused delayed parasite death upon extended exposure, with at least three molecules interfering with apicoplast segregation during daughter cell formation. Using flow cytometry and microscopy-based examinations, we prioritized 26 molecules with the potential to inhibit host cell egress/invasion during asexual developmental stages of P. falciparum. None of the inhibitors affected digestive vacuole integrity, ruling out a mechanism mediated by broadly specific protease inhibitor activity. Interestingly, five of the plasmodial egress inhibitors inhibited ionophore-induced egress of T. gondii tachyzoites. These findings highlight the advantage of comparative and targeted phenotypic screens in related species as a means to identify lead molecules with a conserved mode of action. Further work on target identification and mechanism analysis will facilitate the development of antiparasitic compounds with cross-species efficacy.}, issn = {23795042}, doi = {10.1128/mSphere.00534-17}, author = {Subramanian, Gowtham}, editor = {Belekar, Meenakshi A.} } @article {45382, title = {Tau protein squired by molecular chaperones during alzheimer{\textquoteright}s disease}, journal = {Journal of Molecular Neuroscience}, volume = {66}, year = {2018}, month = {NOV}, pages = { 356-368}, type = {Article}, abstract = {

Alzheimer{\textquoteright}s disease (AD) is a neurodegenerative disorder characterized by progressive neuronal loss, caused by misfolding and accumulation of tau and Amyloid -42. Cellular mechanisms involving phosphatases, chaperones, ubiquitin proteasome system (UPS) and aggresomes solubilize or remove these toxic aggregates. Chaperones such as Hsp70 and Hsp90 functions in folding tau to its native form or in the downstream degrade and eliminated tau from the cell. Chaperones are involved in lysosomal degradation of tau by a process called chaperone mediated autophagy (CMA). In pathological conditions, chaperones fail to remove the toxic tau species, leading to their accumulation. In this scenario, inhibiting the chaperone activity would aid in overcoming AD. Small molecules inhibitors against chaperone activity are known to be effective in the clearance of aberrant tau from cell. In this review, the aspects of inhibition and prevention of tau aggregates formation are discussed in terms of chaperone activity and their small molecule modulators.

}, issn = { 0895-8696}, doi = { 10.1007/s12031-018-1174-3}, author = {Gorantla, Nalini Vijay and Chinnathambi, Subashchandrabose} } @article {44488, title = {Temperature and pressure dependent Raman spectroscopy of plasma treated multilayer graphene nanosheets}, journal = {Diamond and Related Materials}, volume = {84}, year = {2018}, month = {APR }, pages = {146-156}, type = {Journal Article}, abstract = {

Understanding of the fine structure at the atomic level and properties of graphene by creating defects is important from the point of view of thermal and stress management. Here we report Raman spectroscopic studies on pristine and plasma treated multilayer graphene to explore the remarkable structure and phonon properties with temperature and pressure. Temperature dependent studies illustrate monotonic softening of G and G' bands in the temperature range 78 to 573 K. This process can be of fundamental importance in other promising and emerging nano and heterostructured materials. The pressure dependent Raman spectroscopic investigations on G-band of these samples were carried out up to 25 GPa using a diamond anvil cell. Comparatively weak and more compressible nature of the G band (E2g in-plane mode) as a function of applied pressure is found in plasma treated graphene. After pressure release, the samples recover to their original ordered structure. The present study is important for further understanding of the fine structure, properties and effect of defects in graphene, which can affect the atomic bonds, thermal expansion, specific heat, and thermal conductivity as well.

}, keywords = {graphene, high pressure, Phonon, Plasma treated graphene, Raman spectroscopy}, issn = {9259635}, doi = {10.1016/j.diamond.2018.03.021}, author = {Pawbake, Amit S. and Mishra, K. K. and Machuno, Luis G. B. and Gelamo, Rogerio V. and Ravindranathan, T. R. and Rout, Chandra Sekhar and Late, Dattatray J.} } @article {44486, title = {Temperature and pressure dependent thermodynamic behavior of 2H-CuInO2}, journal = {AIP Conference Proceedings}, volume = {1953}, year = {2018}, month = {MAY}, type = {Journal Article}, abstract = {Density functional theory and quasi-harmonic Debye model has been used to study the thermodynamic properties of 2H-CuInO2. At the optimized structural parameters, pressure (0 to 80 GPa) dependent variation in the various thermodynamic properties, i.e. unit cell volume (V), bulk modulus (B), specific heat (Cv), Debye temperature (ӨD), Grǘneisen parameter (γ) and thermal expansion coefficient (α) are calculated for various temperature values. The results predict that the pressure has significant effect on unit cell volume and bulk modulus while the temperature shows negligible effect on both parameters. With increasing temperature thermal expansion coefficient increase while with increasing pressure it decreases. The specific heat remains close to zero for ambient pressure and temperature values and it increases with increasing temperature. It is observed that the pressure has high impact on Debye temperature and Grǘneisen parameter instead of temperature. Debye temperature and Grǘneisen parameter both remains almost constant for the temperature range (0-300K) while Grǘneisen parameter decrease with increasing pressure at constant temperature and Debye temperature increases rapidly with increasing pressure. An increase in Debye temperature with respect to pressure shows that the thermal vibration frequency changes rapidly.}, issn = {0094243X}, doi = {10.1063/1.5033167}, author = {Bhamu, K. C.} } @article {44484, title = {Temperature dependent electron transport behavior of poly (methyl methacrylate)/silver functionalized reduced graphene oxide films}, journal = {AIP Conference Proceedings}, volume = {1942}, year = {2018}, month = {APR }, type = {Journal Article}, abstract = {

Poly (methyl methacrylate) (PMMA) and silver functionalized reduced graphene oxide film were prepared and were investigated using FTIR and Raman. Electron transport behavior of these samples, at low temperature were studied. The prepared film exhibited a temperature dependent electron transport, at higher temperatures Arrhenius-like temperature dependence of resistance was observed indicating band like electron transport with a small thermal activation energy. At further lower temperatures hopping mechanism of conduction was observed due to the presence of defects. The conduction due to band-like electron transport at higher temperature is attributed to the easier excitation of charge carriers to the conduction band, whereas at lower temperatures conduction occurs through hopping mechanism due to localized states around Fermi level in the presence of defects.

}, issn = {0094243X}, doi = {10.1063/1.5029028}, author = {Asha, S.}, editor = {Ananth, A. Nimrodh} } @article {44165, title = {Tetranuclear cubane Cu4O4 complexes as prospective anticancer agents: Design, synthesis, structural elucidation, magnetism, computational and cytotoxicity studies}, journal = {Inorganic Chimica Acta}, volume = {473}, year = {2018}, month = {MAR}, pages = {121-132}, abstract = {Two new homometallic Cu4O4 cubane clusters 1 and 2 have been synthesized by self-assembly of copper (II) acetate and ligand, 2-[(2-Hydroxy-3-methoxy-benzylidene)-amino]-2-hydroxymethyl-propane-1, 3-diol (H4L) and characterized thoroughly by various spectroscopic techniques and single crystal X-ray diffraction analysis. Temperature- dependent magnetic susceptibility measurements have been performed to elucidate the antiferromagnetic and ferromagnetic nature in Cu4O4 clusters 1 and 2, respectively. In vitro DNA binding studies of cubane clusters were carried out by employing optical spectroscopic techniques. Gel electrophoretic mobility assay performed to examine the nuclease activity of the complexes 1 and 2 with pBR322 DNA, and results revealed oxidative DNA cleavage via reactive oxygen species (ROS) species viz., O-2(.-), O-1(2), etc. In vitro cell proliferation via MTT assay was studied to calculate the cytotoxicity of complexes 1 and 2. The IC50 evaluated were similar to 20 mu M in MCF-7 (Breast) and similar to 30-35 mu M in HepG2 (Liver) cancer cell lines. Additionally, in the presence of 1 and 2, ROS and TBARS (Thiobarbituric acid reactive substance) levels amplified significantly, coupled with GSH (glutathione) levels in cancer lines. Hence, the results exhibited the major role of ROS in apoptosis induced by 1 and 2 clusters and validate their prospective to be efficient anticancer drug entities. (C) 2018 Elsevier B.V. All rights reserved.}, keywords = {Cu4O4 cubane complexes, Cytotoxicity, DFT, DNA binding, Magnetism, Nuclease activity}, issn = {0020-1693}, doi = {10.1016/j.ica.2017.12.039}, author = {Usman, Mohammad and Arjmand, Farukh and Khan, Rais Ahmad and Alsalme, Ali and Ahmad, Musheer and Sen Bishwas, Mousumi and Tabassum, Sartaj} } @article {45454, title = {Thermal conductivity studies on magnetite nanofluids coated with short-chain and long-chain fatty acid surfactants}, journal = {Bulletin of Materials Science}, volume = {41}, year = {2018}, month = {OCT}, type = {Article}, abstract = {The effect of the length of surfactant molecules on the surface of the nanoparticles on the thermal conductivity of nanofluids is studied. Magnetite (Fe3O4) nanoparticles of comparable sizes are stabilized with short-chain capric acid (C9H19COOH) and long-chain stearic acid (C17H35COOH) molecules. Thermal conductivity of the two surfactant-coated magnetite nanoparticles dispersed in toluene is measured as a function of the concentration of the particles in the fluids and in the presence of a magnetic field. Studies showed that the critical concentration for thermal conductivity enhancement is lower for stearic-acid-coated fluid as compared with the capric-acid-coated fluid. Comparable enhancement in the thermal conductivity is observed at higher concentrations of the particles. Relatively larger enhancement in the thermal conductivity is observed for the capric-acid-coated fluid in a magnetic field. The difference in the enhancement in the thermal conductivity, depending on the chain length of the surfactant, is explained in terms of the inter-particle magnetic interactions and formation of clusters.}, issn = { 0250-4707}, doi = {10.1007/s12034-018-1638-7}, author = {Lenin, R. and Dadwal, A. and Joy, P. A.} } @article {44480, title = {Thermo thickening behavior of MPEG-b-PCL grafted poly(acrylic acid): a molecular insight}, journal = {Polymer}, volume = {148}, year = {2018}, month = {JUL}, pages = {138-148}, type = {Journal Article}, abstract = {

We report on the synthesis and characterization of a new thermothickening polymer (PAA-g-(MPEG-b-PCL)) based on the grafting of a block copolymer of mono methoxy poly (ethylene glycol){\textendash}b-poly (caprolactone) (MPEG-b-PCL) onto poly (acrylic acid) (PAA). Rheological experiments reveal that aqueous solutions of PAA-g-(MPEG-b-PCL) exhibit interesting irreversible thermothickening behavior above a certain polymer concentration and critical temperature. Light scattering experiments show that increasing temperature induces hydrophobic associations and subsequent aggregation leading to gel formation which is irreversible. The mechanism of thermo thickening was examined at the molecular level by NMR methods which indicated unassembled and assembled environments of the MPEG-b-PCL grafts. On heating, interactions between the graft side chains are significantly enhanced and molecular mobility in the assembled microdomains is reduced. The stable well ordered microdomains that are formed on heating are retained on cooling thus, leading to irreversible gelation.

}, keywords = {Hydrophobically modified poly (acrylic acid), Light scattering, Methoxy polyethylene glycol-b-polycaprolactone (MPEG-b-PCL) copolymer, Rheology, Thermo gelation}, issn = {323861}, doi = {10.1016/j.polymer.2018.06.031}, author = {Tiwari, Neha}, editor = {Shedge, Aarti} } @article {44601, title = {THiCweed: fast, sensitive detection of sequence features by clustering big datasets}, journal = {Nucleic Acids Research}, volume = {46}, year = {2018}, month = {MAR}, pages = {e29}, abstract = {

We present THiCweed, a new approach to analyzing transcription factor binding data from high-throughput chromatin immunoprecipitation-sequencing (ChIP-seq) experiments. THiCweed clusters bound regions based on sequence similarity using a divisive hierarchical clustering approach based on sequence similarity within sliding windows, while exploring both strands. ThiCweed is specially geared toward data containing mixtures of motifs, which present a challenge to traditional motif-finders. Our implementation is significantly faster than standard motif-finding programs, able to process 30 000 peaks in 1-2 h, on a single CPU core of a desktop computer. On synthetic data containing mixtures of motifs it is as accurate or more accurate than all other tested programs. THiCweed performs best with large {\textquoteleft}window{\textquoteright} sizes (\>50 bp), much longer than typical binding sites (7-15 bp). On real data it successfully recovers literature motifs, but also uncovers complex sequence characteristics in flanking DNA, variant motifs and secondary motifs even when they occur in \<5\% of the input, all of which appear biologically relevant. We also find recurring sequence patterns across diverse ChIP-seq datasets, possibly related to chromatin architecture and looping. THiCweed thus goes beyond traditional motif finding to give new insights into genomic transcription factor-binding complexity.

}, issn = {0305-1048}, doi = {10.1093/narlgkx1251}, author = {Agrawal, Ankit and Sambare, Snehal V. and Narlikar, Leelavati and Siddharthan, Rahul} } @article {45349, title = {Three-dimensional metal-organic polymer of multivalent hexaphenylbenzene}, journal = {ChemistrySelect}, volume = {3}, year = {2018}, month = {DEC}, pages = {13712-13715}, type = {Article}, abstract = {

Metal-Organic Frameworks(MOFs) synthesized from ligands more than ten co-ordinating sites may offer material applications due to their structural architecture. Herein, a synthesis of metal-organic framework is reported from a ligand featuring 12-aryl carboxylic acid groups appended on a hexaphenylbenzene and s-block element potassium. The synthesized MOF was characterized by thermogravimetric analysis, infrared spectroscopy and X-diffraction studies. The X-ray crystal structure of MOF was shown to have a significant number of trapped and coordinated water molecules in its three-dimensional framework.

}, doi = {10.1002/slct.201802797}, author = {Madhu, Suresh and Gonnade, Rajesh G. and Sanjayan, Gangadhar J.} } @article {44592, title = {Ti-doped Pd-Au catalysts for one-pot hydrogenation and ring opening of furfural}, journal = {Catalysts}, volume = {8}, year = {2018}, month = {JUN}, pages = {252}, abstract = {

Pd-Au bimetallic catalysts with different Pd/Au atomic ratios, supported on ordered structured silica (Hexagonal mesoporous silica-HMS, or Santa Barbara Amorphous-15-SBA-15) were evaluated for one-pot hydrogenation of furfural to 1,2-pentanediol. The surface and structural properties of the catalysts were deeply investigated by X-ray photoelectron spectroscopy (XPS), X-ray diffraction (XRD), N-2 adsorption isotherms (BET), Infrared spectroscopy (IR), and acid capacity measurements. XPS studies revealed that Ti doped supports had higher dispersion of the active phase, particularly in the case of Pd-Au materials in which Ti played an important role in stabilizing the metallic species. Among the various process conditions studied, such as temperature (160 degrees C), catalyst amount (10\% w/w), and reaction time (5 h), H-2 pressure (500 psi) was found to improve the 1,2-pentanediol selectivity. The SBA silica bimetallic Ti-doped system showed the best performance in terms of stability and reusability, after multiple cycles. Under specific reaction conditions, the synergism between Pd-Au alloy and Ti doping of the support allowed the ring opening pathway towards the formation of 1,2-pentanediol in furfural hydrogenation.

}, keywords = {Bimetallic catalyst, furfural, Hydrogenation, ring-opening}, issn = {2073-4344}, doi = {10.3390/catal8060252}, author = {Date, Nandan Shreehari and La Parola, Valeria and Rode, Chandrashekhar Vasant and Testa, Maria Luisa} } @article {44475, title = {{\textquoteright}TIME{\textquoteright}: A web application for obtaining Insights into Microbial Ecology using longitudinal microbiome data}, journal = {Frontiers in Microbiology}, volume = {9}, year = {2018}, month = {JAN}, abstract = {

Realization of the importance of microbiome studies, coupled with the decreasing sequencing cost, has led to the exponential growth of microbiome data. A number of these microbiome studies have focused on understanding changes in the microbial community over time. Such longitudinal microbiome studies have the potential to offer unique insights pertaining to the microbial social networks as well as their responses to perturbations. In this communication, we introduce a web based framework called {\textquoteleft}TIME{\textquoteright} (Temporal Insights into Microbial Ecology{\textquoteright}), developed specifically to obtain meaningful insights from microbiome time series data. The TIME web-server is designed to accept a wide range of popular formats as input with options to preprocess and filter the data. Multiple samples, defined by a series of longitudinal time points along with their metadata information, can be compared in order to interactively visualize the temporal variations. In addition to standard microbiome data analytics, the web server implements popular time series analysis methods like Dynamic time warping, Granger causality and Dickey Fuller test to generate interactive layouts for facilitating easy biological inferences. Apart from this, a new metric for comparing metagenomic time series data has been introduced to effectively visualize the similarities/differences in the trends of the resident microbial groups. Augmenting the visualizations with the stationarity information pertaining to the microbial groups is utilized to predict the microbial competition as well as community structure. Additionally, the {\textquoteleft}causality graph analysis{\textquoteright} module incorporated in TIME allows predicting taxa that might have a higher influence on community structure in different conditions. TIME also allows users to easily identify potential taxonomic markers from a longitudinal microbiome analysis. We illustrate the utility of the web-server features on a few published time series microbiome data and demonstrate the ease with which it can be used to perform complex analysis.

}, issn = {1664302X}, doi = {10.3389/fmicb.2018.00036}, author = {Baksi, Krishanu D.}, editor = {Kuntal, Bhusan K.} } @article {44179, title = {To form layer by layer composite film in view of its application as supercapacitor electrode by exploiting the techniques of thin films formation just around the corner}, journal = {Electrochimica Acta}, volume = {265}, year = {2018}, month = {MAR }, pages = {556-568}, type = {Article}, abstract = {A method is described to form robust composite supercapacitor electrodes consisting of polyaniline (PANI)-graphene (GNS) and PANI-MoS2 nanosheets wherein composites are formed by Layer by Layer (LbL) deposition. PANI layer consisting of 10-15 nm particle size was formed by LLIRT, while GNS and MoS2 layers were formed by modified LLIRT. A special feature of the development is the architecture which is rarely found in the literature wherein singular components are stacked over each other to form a composite. The architecture is found to show strong synergistic effects suitable for high performance supercapacitor applications. The composites were characterized by using X-ray photoelectron spectroscopy (XPS), X-ray diffraction (XRD), high resolution transmission electron microscopy (HRTEM) etc. The characterization indicates the formation of composites having uniform distribution of PANI nanoparticles over the 2D nanosheets of GNS and MoS2 respectively. The electrochemical performance of the composites was evaluated by cyclic voltammetry (CV), electrochemical impedance spectroscopy (EIS) and Galvanostatic Charge Discharge (GCD). The composite layer consisting of PANI-GNS alternate layers, showed an excellent specific capacitance (C-sp) of 549 Fg(-1) while PANI-MoS2 alternate layers and PANI layers showed C-sp to be (413 F g(-1)) and (185 F g(-1)) respectively. It is proposed that C-sp stability of the composites is greatly enhanced by the architecture of composite formation through LbL deposition approach. PANI-GNS showed high stability (95\% retention of C-sp), PANI-MoS2 (94\% retention of C-sp) as against single component capacitance of PANI (67\% retention of C-sp). The results reveal the importance of the architecture of composite formation. The architecture of depositing alternate layers of components to form a composite would have special properties leading to synergistic effect in the applications. The present communication is a proof of this concept. It shows the boost in the charge storage resulting in stable robust supercapacitors formation. We predict similar advantages in other applications such as solar energy conversion, sensors, catalysis, etc. (C) 2018 Elsevier Ltd. All rights reserved.}, keywords = {GNS, Layer-by-Layer deposition, MoS2 nanosheets, polyaniline, Supercapacitors}, issn = {0013-4686}, doi = {10.1016/j.electacta.2018.01.165}, author = {Patil, Sagar H. and Gaikwad, Aarti P. and Sathaye, Shivaram D. and Patil, Kashinath R.} } @article {45485, title = {Total synthesis and biological evaluation of cell adhesion inhibitors peribysin A and B: structural revision of peribysin B}, journal = {Organic letters }, volume = { 20}, year = {2018}, month = {NOV}, pages = {7003-7006}, type = {Article }, abstract = {Total synthesis of potent cell-adhesion inhibitors peribysins A and B has been accomplished for the first time in racemic form. A Diels-Alder/aldol sequence to build the skeleton and decoration of the desired functionalities of the targeted natural products using highly stereoselective operations are the highlights. The structures of synthesized peribysins were fully characterized using spectral data and single-crystal X-ray analysis. Through this total synthesis, the initially proposed structure of peribysin B has been revised. Furthermore, the cell-adhesion inhibition potential of the scaffold (two peribysins + three analogues) was confirmed using anti-adhesion assay.}, issn = {1523-7060}, doi = { 10.1021/acs.orglett.8b02838}, author = {Kalmode, Hanuman P. and Handore, Kishor L. and Rajput, Raveena and Shaikh, Samir R. and Gonnade, Rajesh G. and Kulkarni, Kiran A. and Reddy, D. Srinivasa} } @article {45380, title = {Total synthesis of an anticancer natural product (+/-)-peharmaline A and its analogues}, journal = { European Journal of Organic Chemistry}, year = {2018}, month = {DEC}, pages = {6453-6456}, type = {Article}, abstract = {

First total synthesis of a rare beta-carboline-vasicinone hybrid alkaloid (+/-)-peharmaline A has been accomplished in just 3 steps starting from known compounds. Stereoselective Pictet-Spengler reaction to nitrogenated tertiary carbon center and one-pot construction of the tricyclic skeleton of vasicinone are the highlights of present synthesis. We have also synthesized structurally close analogues of the natural product by following the developed route.

}, issn = {1434-193X}, doi = {10.1002/ejoc.201800949}, author = {Kulkarni, Akshay S. and Shingare, Rahul D. and Dandela, Rambabu and Reddy, D. Srinivasa} } @article {45414, title = { Total synthesis of notoryne}, journal = {Journal of Organic Chemistry}, volume = {83}, year = {2018}, month = {OCT}, pages = {12863-12868}, type = {Article}, abstract = {The structure of notoryne comprises a halogenated 2,2{\textquoteright}-bifuranyl moiety along with a terminal cis-enyne unit. In this work, we document the first total synthesis of notoryne, confirming its assigned relative and absolute configurations. The devised route comprises a glucose diacetonide-derived chiral pool intermediate as the starting point and 5-endo bromo-etherification for making the key bis-furan unit, anomeric C-allylation, as well as a relay cross-metathesis to install the cis-enyne unit.}, issn = {0022-3263}, doi = {10.1021/acs.joc.8b01757}, author = {Senapati, Sibadatta and Das, Shyamsundar and Ramana, Chepuri V.} } @article {45356, title = {Total synthesis of the potent anti-inflammatory natural product solomonamide A along with structural revision and biological activity evaluation}, journal = {Organic \& Biomolecular Chemistry}, volume = {16}, year = {2018}, month = {DEC}, pages = {9138-9142}, type = {Article }, abstract = {Herein, we report the total synthesis of solomonamide A along with its structural revision for the first time. The natural product possesses very potent anti-inflammatory activity, and it contains a macrocyclic peptide having four consecutive stereocenters on an unnatural amino acid component. The key features in the present synthesis include the application of an Evans aldol reaction, ligand-free Heck macrocyclization and chemoselective oxidations. The challenging task of fixing the stereochemistry of OH at the C5-position was accomplished with the help of DFT calculations, applying a quantum-mechanical (QM)/NMR combined approach. Biological evaluation in a mouse paw edema model revealed that a low dose (0.3 mg kg(-1)) of the synthesized solomonamide A showed 74\% reduction at 6 h, which was comparable to a high dose (10 mg kg(-1)) standard drug dexamethasone effect (75\% at 6 h). Thus, we further confirmed the revised structure of solomonamide A.}, issn = {1477-0520}, doi = { 10.1039/c8ob02713g}, author = {Jachak, Gorakhnath R. and Athawale, Paresh R. and Agarwal, Heena and Barthwal, Manoj Kumar and Lauro, Gianluigi and Bifulco, Giuseppe and Reddy, D. Srinivasa} } @article {45351, title = {Total synthesis of (+)-trans- dihydronarciclasine from (+)-7-azabicyclo[2.2.1]heptanone}, journal = {Tetrahedron }, volume = {74}, year = {2018}, month = {SEP}, pages = {5752-5757}, type = {Article}, abstract = {

A concise asymmetric total synthesis of Amaryllidaceae alkaloid (+)-trans-dihydronarciclasine is accomplished starting from optically pure 7-azabicyclo[2.2.1]heptanone scaffold in 13 linear steps. Key features of the strategy include substrate-directed stereoselective installation of the trans B-C ring junction and regioselective Wacker-type internal olefin oxidation to provide a rapid access to all hydroxyl functionalities over the key cyclohexane ring in a stereocontrolled manner. (C) 2018 Elsevier Ltd. All rights reserved.

}, doi = {10.1016/j.tet.2018.08.016}, author = {Pandey, Ganesh and Fernandes, Rushil and Dey, Debasis and Majumder, Binoy} } @article {45420, title = { Tracing the biosynthetic origin of limonoids and their functional groups through stable isotope labeling and inhibition in neem tree (Azadirachta indica) cell suspension}, journal = {BMC Plant Biology}, volume = {18}, year = {2018}, month = {OCT}, type = {Article}, abstract = {Background Neem tree serves as a cornucopia for triterpenoids called limonoids that are of profound interest to humans due to their diverse biological activities. However, the biosynthetic pathway that plant employs for the production of limonoids remains unexplored for this wonder tree. Results Herein, we report the tracing of limonoid biosynthetic pathway through feeding experiments using C-13 isotopologues of glucose in neem cell suspension. Growth and development specific limonoid spectrum of neem seedling and time dependent limonoid biosynthetic characteristics of cell lines were established. Further to understand the role of mevalonic acid (MVA) and methylerythritol phosphate (MEP) pathways in limonoid biosynthesis, Ultra Performance Liquid Chromatography (UPLC)- tandem mass spectrometry based structure-fragment relationship developed for limonoids and their isotopologues have been utilized. Analyses of labeled limonoid extract lead to the identification of signature isoprenoid units involved in azadirachtin and other limonoid biosynthesis, which are found to be formed through mevalonate pathway. This was further confirmed by treatment of cell suspension with mevinolin, a specific inhibitor for MVA pathway, which resulted in drastic decrease in limonoid levels whereas their biosynthesis was unaffected with fosmidomycin mediated plastidial methylerythritol 4-phosphate (MEP) pathway inhibition. This was also conspicuous, as the expression level of genes encoding for the rate-limiting enzyme of MVA pathway, 3-hydroxy-3-methyl-glutaryl-coenzyme A reductase (HMGR) was comparatively higher to that of deoxyxylulose-phosphate synthase (DXS) of MEP pathway in different tissues and also in the in vitro grown cells. Thus, this study will give a comprehensive understanding of limonoid biosynthetic pathway with differential contribution of MVA and MEP pathways. Conclusions Limonoid biosynthesis of neem tree and cell lines have been unraveled through comparative quantification of limonoids with that of neem tree and through C-13 limonoid isotopologues analysis. The undifferentiated cell lines of neem suspension produced a spectrum of C-seco limonoids, similar to parental tissue, kernel. Azadirachtin, a C-seco limonoid is produced in young tender leaves of plant whereas in the hard mature leaves of tree, ring intact limonoid nimocinol accumulates in high level. Furthermore, mevalonate pathway exclusively contributes for isoprene units of limonoids as evidenced through stable isotope labeling and no complementation of MEP pathway was observed with mevalonate pathway dysfunction, using chemical inhibitors.}, isbn = {1471-2229}, doi = {10.1186/s12870-018-1447-6}, author = {Aarthy, Thiagarayaselvam and Mulani, Fayaj A. and Pandreka, Avinash and Kumar, Ashish and Nandikol, Sharvani S. and Haldar, Saikat and Thulasiram, Hirekodathakallu V.} } @article {44183, title = {Tracking HOCl concentrations across cellular organelles in real time using a super resolution microscopy probe}, journal = {Chemical Communications}, volume = {54}, year = {2018}, month = {FEB}, pages = {1849-1852}, type = {Article}, abstract = {

BODIPY derivative, SF-1, exclusively shows a fluorescence ON response to HOCl and images endogenously generated HOCl in RAW 264.7 macrophages. Widefield and super resolution structured illumination microscopy images confirm localization in the Golgi complex and lysosomes, and hence specifically detects HOCl generated in these organelles. SF-1 is compatible with 3D-SIM imaging of individual cells.

}, issn = {1359-7345}, doi = {10.1039/c7cc09433g}, author = {Ali, Firoj and Aute, Sunil and Sreedharan, Sreejesh and Anila, H. A. and Saeed, Hiwa K. and Smythe, Carl G. and Thomas, Jim A. and Das, Amitava} } @article {44472, title = {Transforming covalent organic framework into thin-film composite membranes for hydrocarbon recovery}, journal = {Separation Science and Technology }, volume = {53}, year = {2018}, month = {APR }, pages = {1752-1759}, type = {Journal Article}, abstract = {We, for the first time, employed chemically stable covalent organic framework (COF) (TpPa-1) as a transport-active phase within the polymer (styrene-butadiene rubber; SBR) matrix to make TpPa-1@SBR thin-film composite (TFC) membranes. Three composite membranes, viz., TpPa-1(30)@SBR, TpPa-1(50)@SBR, and TpPa-1(70)@SBR have been prepared with varying COF content. These membranes were characterized for gas permeance and results were compared with the pristine SBR-based TFC membrane. The fully organic nature of chemically stable COF offered good compatibility with the host polymer matrix (SBR) and resulted into flexible TFC membranes even at 70\% of COF loading; compared to the other porous material (MOFs or Inorganic fillers), it is appreciable.}, keywords = {Covalent organic framework, hydrocarbon recovery, propylene{\textendash}propane, styrene-butadiene rubber, thin film composite}, issn = {1496395}, doi = {10.1080/01496395.2018.1443136}, author = {Biswal, Bishnu P.}, editor = {Kunjattu, Shebeeb H.} } @article {44468, title = {Transition metal free regio-selective C{\textendash}H hydroxylation of chromanones towards the synthesis of hydroxyl-chromanones using PhI(OAc)2 as the oxidant}, journal = {Chemical Communications}, volume = {54}, year = {2018}, month = {FEB}, pages = {2252-2255}, type = {Journal Article}, abstract = {

The chromanone scaffold is considered as a privileged structure in drug discovery. Herein, we report a highly efficient PhI(OAc)2 mediated regioselective, direct C{\textendash}H hydroxylation of chromanones. This method offers easy access to substituted 6-hydroxy chromanones in moderate to good isolated yields, thus paving the way for their pharmaceutical studies.

}, issn = {13597345}, doi = {10.1039/C7CC08588E}, author = {Viswanadh, N.}, editor = {Ghotekar, Ganesh S.} } @article {44238, title = {Transition-metal-catalyzed reactions involving arynes}, journal = {Synthesis-Stuttgart}, volume = {50}, year = {2018}, month = {JAN}, pages = {1-16}, type = {Article}, abstract = {

The plethora of transformations attainable by the transition-metal-catalyzed reactions of arynes has found immense contemporary interest in the scientific community. This review highlights the scope and importance of transition-metal-catalyzed aryne reactions in the field of synthetic organic chemistry reported to date. It covers transformations achieved by the combination of arynes and various transition metals, which provide a facile access to a biaryl motif, fused polycyclic aromatic compounds, different novel carbocycles, various heterocycles, and complex natural products. 1 Introduction 2 Insertion of Arynes 3 Annulation of Arynes 4 Cycloaddition of Arynes 5 Multicomponent Reactions of Arynes 6 Miscellaneous Reactions of Arynes 7 Total Synthesis of Natural Products Using Arynes 8 Conclusion

}, keywords = {annulation, arynes, Cycloaddition, Insertion, multicomponent, Natural products, Transition Metal}, issn = {0039-7881}, doi = {10.1055/s-0036-1589517}, author = {Dhokale, Ranjeet A. and Mhaske, Santosh B.} } @article {45441, title = {Transport properties of cuinte2 thin films obtained by the electrochemical route}, journal = {Journal of electronic materials}, volume = { 47}, year = {2018}, month = {DEC}, pages = {7099-7105}, type = {Article}, abstract = {uInTe2 (CIT) thin films were potentiostatically electrodeposited onto cadmium sulfide thin films coated on fluorine doped tin oxide (FTO) glass in an aqueous bath at 75 degrees C by the standard three-electrode system at -0.7 V and -0.8 V, with respect to an Ag/AgCl reference electrode. The electrodeposited layers were heat treated at similar to 80 degrees C in air ambient for 60 min. X-ray diffraction pattern and Raman analysis confirmed the formation of chalcopyrite CIT thin films upon heat treatment. The optical band gap of heat treated CIT films was found to be similar to 1.0 eV and 0.95 eV deposited at -0.7 V and -0.8 V, respectively. Compact and good adhesive growth of CIT layers onto CdS coated FTO substrates is confirmed by field emission scanning electron microscopy. The current density-voltage (J-V) and capacitance-voltage (C-V) measurement was studied to understand the electronic quality of material for development of CIT layers for solar cell applications. The current density was found to be increased by two orders of magnitude upon low-temperature heat treatment. The capacitance-voltage measurement showed sharp depletion and accumulation region. The built in potential was found to be similar to 60 mV and 145 mV in the as-deposited samples, deposited at -0.7 V and -0.8 V, respectively, whereas upon heat treatment it shifted to 159 mV and 210 mV. The capacitance of the CIT films was found to be a function of applied bias and increased with increasing the bias voltage. The depletion width of the heat treated sample was found to be similar to 20 nm and 200 nm for the sample deposited at -0.7 V and -0.8 V, respectively. Thus, the sample deposited at -0.8 V shows optimum electronic properties and is found to be suitable for opto-electronic applications.}, issn = {0361-5235}, doi = { 10.1007/s11664-018-6640-8}, author = {Lakhe, Manorama G. and Chaure, Nandu B.} } @article {44625, title = {Triazole-diindolylmethane conjugates as new antitubercular agents: synthesis, bioevaluation, and molecular docking}, journal = {MedChemComm}, volume = {9}, year = {2018}, month = {JUL }, pages = {1114-1130}, abstract = {

We describe the synthesis of novel triazole-incorporated diindolylmethanes (DIMs) using a molecular hybridization approach. The in vitro antitubercular activity of the DIMs against Mycobacterium tuberculosis H37Ra (ATCC 25177) was tested in the active and dormant state. Among all the synthesized conjugates, the compounds 6b, 6f, 6l, 6n, 6q, 6r, and 6s displayed good antitubercular activity against both the active and dormant Mtb H37Ra strain. The compound 6l exhibited good antitubercular activity against dormant Mtb H37Ra with an IC50 value of 1 g mL(-1) and IC90 (MIC) value of 3 g mL(-1). The compounds 6b, 6l, and 6r displayed good antitubercular activity against active Mtb H37Ra with IC50 values of 2.19, 1.52, and 0.22 g mL(-1), respectively. The compounds 6b, 6h, 6l, and 6s displayed more than 70\% inhibition against the Gram-positive Bacillus subtilus strain at 3 g mL(-1). The molecular docking study showed the binding modes of the titled compounds in the active site of the DprE1 enzyme and assisted with elucidating a structural basis for the inhibition of Mycobacteria.

}, issn = {2040-2503}, doi = {10.1039/c8md00055g}, author = {Danne, Ashruba B. and Choudhari, Amit S. and Chakraborty, Shakti and Sarkar, Dhiman and Khedkar, Vijay M. and Shingate, Bapurao B.} } @article {44467, title = {Triflic acid-catalyzed metal-free synthesis of (E)-2-cyanoacrylamides and 3-substituted azetidine-2,4-diones}, journal = {New Journal of Chemistry}, volume = {42}, year = {2018}, month = {MAR}, pages = {6433-6440}, type = {Journal Article}, abstract = {

A TfOH-catalyzed highly efficient synthesis of biologically active (E)-2-cyanoacrylamides and 3-substituted azetidine-2,4-diones has been reported with 64{\textendash}94\% yields under metal-free conditions. The reaction proceeds through sequential Knoevenagel condensation/stereoselective in situ monohydration of nitrile or C{\textendash}N cyclization protocol in one-pot. The attractive features of this tandem process are moderate reaction conditions, high atom economy, broad substrate scope, gram-scale reaction and ease of operation.

}, doi = {10.1039/C7NJ05169G}, author = {Rupanwar, Bapurao D. and Chavan, Santosh S. and Shelke, Anil M. and Suryavanshi, Gurunath M.} } @article {44463, title = {Tripeptides derived from reactive centre loop of potato type II protease inhibitors preferentially inhibit midgut proteases of Helicoverpa armigera}, journal = {Insect Biochemistry and Molecular Biology }, volume = {95}, year = {2018}, month = {APR }, pages = {17-25}, type = {Journal Article}, abstract = {

Potato type II protease inhibitors (Pin-II PIs) impede the growth of lepidopteran insects by inhibiting serine protease-like enzymes in the larval gut. The three amino acid reactive centre loop (RCL) of these proteinaceous inhibitors is crucial for protease binding and is conserved across the Pin-II family. However, the molecular mechanism and inhibitory potential of the RCL tripeptides in isolation of the native protein has remained elusive. In this study, six peptides corresponding to the RCLs of the predominant Pin-II PIs were identified, synthesized and evaluated for in vitro and in vivo inhibitory activity against serine proteases of the polyphagous insect, Helicoverpa armigera. RCL peptides with sequences PRN, PRY and TRE were found to be potent inhibitors that adversely affected the growth and development of H. armigera. The binding mechanism and differential affinity of the RCL peptides with serine proteases was delineated by crystal structures of complexes of the RCL peptides with trypsin. Residues P1 and P2 of the inhibitors play a crucial role in the interaction and specificity of these inhibitors. Important features of RCL peptides like higher inhibition of insect proteases, enhanced efficacy at alkaline gut pH, longer retention and high stability in insect gut make them suitable molecules for the development of sustainable pest management strategies for crop protection.

}, keywords = {Helicoverpa armigera, Protease, protease inhibitor, Reactive centre loop peptides}, issn = {9651748}, doi = {10.1016/j.ibmb.2018.02.001}, author = {Saikhedkar, Nidhi S. and Joshi, Rakesh S. and Bhoite, Ashwini S. and Mohandasan, Radhika and Yadav, Amit Kumar and Giri, Ashok P.} } @article {44455, title = {Tris-hydroxymethylaminomethane (THAM): An efficient organocatalyst in diversity-oriented and environmentally benign synthesis of spirochromenes}, journal = {Comptes Rendus Chimie}, volume = {21}, year = {2018}, month = {JUN }, pages = {814-821}, type = {Article}, abstract = {

Tris-hydroxymethylaminomethane has been demonstrated to be an efficient organocatalyst in diversity-oriented synthesis of medicinally prevalent spirochromenes by one-pot, three-component reactions between isatins, malononitrile, and enolizable CH acids like dimedone, 4-hydroxycoumarin, 4-hydroxy-N-methylquinolin-2-one, or in situ generated 2-methylpyrazolon-2-one. Biodegradability and extremely low cost of the catalyst are the noteworthy features of this chromatography-free protocol.

}, keywords = {green chemistry, Multicomponent synthesis, organocatalysis, Spirochromenes, Tris-hydroxymethylaminomethane}, issn = {16310748}, doi = {10.1016/j.crci.2018.05.005}, author = {Khot, Supriya S. and Anbhule, Prashant V. and Desai, Uday V. and Wadgaonkar, Prakash P.} } @article {45467, title = {Tuning controlled release behavior of starch granules using nanofibrillated cellulose derived from waste sugarcane bagasse}, journal = { ACS Sustainable Chemistry \& Engineering }, volume = {6}, year = {2018}, month = {JUL}, pages = { 9208-9217}, type = {Article}, abstract = {Controlled release formulations help to encapsulate agrochemicals and deliver at a sustained rate. Growing environmental challenges have increased the need for controlled release systems based on sustainable feed-stocks. To this end, we report here the preparation and properties of a monolith-type controlled release granular formulation based on two ubiquitous biopolymers, starch and cellulose. Cellulose nanofibers (CNFs) derived from waste sugarcane bagasse were mixed with gelatinized maize starch and urea formaldehyde to yield nanocomposite granular formulation. Dimethyl phthalate (DMP) was used as model encapsulant. The morphology of CNFs and CNFreinforced starch granules was characterized by transmission electron microscopy, scanning electron microscopy, BET porosimetry, and X-ray tomography. Incorporation of only 2-4 wt \% CNFs led to a significant reduction in porosity as compared to that for neat starch granules, while the water uptake was enhanced by 20-30\%. Reinforcing starch with CNFs led to a significant reduction in initial release rate and yet higher overall release of DMP, thereby allowing effective utilization of entrapped chemicals. This interesting release behavior could be attributed to two competing factors, water uptake-induced diffusion and barrier effects rendered by nanocellulose network.}, issn = { 2168-0485}, doi = {10.1021/acssuschemeng.8b01545}, author = {Patil, Mayur D. and Patil, Vishal D. and Sapre, Aditya A. and Ambone, Tushar S. and Torris, Arun A. T. and Shukla, Parshuram G. and Shanmuganathan, Kadhiravan} } @article {44450, title = {Tuning of terahertz resonances of pyridyl benzamide derivatives by electronegative atom substitution}, journal = {Journal of Infrared, Millimeter, and Terahertz Waves}, volume = {39}, year = {2018}, month = {JUL}, pages = {636{\textendash}650}, type = {Journal Article}, abstract = {

N-(pyridin-2-yl) benzamide (Ph2AP)-based organic molecules with prominent terahertz (THz) signatures (less than 5 THz) have been synthesized. The THz resonances are tuned by substituting the most electronegative atom, fluorine, at ortho (2F-Ph2AP), meta (3F-Ph2AP), and para (4F-Ph2AP) positions in a Ph2AP molecule. Substitution of fluorine helps in varying the charge distribution of the atoms forming hydrogen bond and hence strength of the hydrogen bond is varied which helps in tuning the THz resonances. The tuning of lower THz resonances of 2F-Ph2AP, 3F-Ph2AP, and 4F-Ph2AP has been explained in terms of compliance constant (relaxed force constant). Four-molecule cluster simulations have been carried out using Gaussian09 software to calculate the compliance constant of the hydrogen bonds. Crystal structure simulations of the above molecules using CRYSTAL14 software have been carried out to understand the origin of THz resonances. It has been observed that THz resonances are shifted to higher frequencies with stronger hydrogen bonds. The study shows that 3F-Ph2AP and 4F-Ph2AP have higher hydrogen bond strength and hence the THz resonances originating due to stretching of intermolecular hydrogen bonds have been shifted to higher frequencies compared to 2F-Ph2AP. The methodology presented here will help in designing novel organic molecules by substituting various electronegative atoms in order to achieve prominent THz resonances.

}, keywords = {Compliance constant, Density functional theory, Ph2AP molecule, Terahertz spectroscopy}, issn = {18666892}, doi = {10.1007/s10762-018-0500-8}, author = {Dash, Jyotirmayee}, editor = {Ray, Shaumik} } @article {45437, title = {Tuning the basicity of Cu-based mixed oxide catalysts towards the efficient conversion of glycerol to glycerol carbonate}, journal = {Molecular catalysis}, volume = {460}, year = {2018}, month = {DEC}, pages = {53-62}, type = {Article}, abstract = {A series of efficient and robust Cu based mixed oxides were synthesized by a simple co-precipitation method and utilized for the production of glycerol carbonate (GC) via transesterification of glycerol with dimethyl carbonate (DMC). The synthesized materials were characterized using XRD, UV-vis spectroscopy, SEM, TEM, N-2 sorption, CO2-TPD, and XPS. The addition of Cu on Mg/Al mixed oxides exhibits significant changes in its physicochemical properties and catalytic activity. The obtained mixed oxides showed remarkably high transesterification activity towards the efficient conversion of glycerol to GC under economical reaction conditions without using any solvent. Among all the catalysts employed, highest catalytic activity was observed over MAC-0.6 catalyst with glycerol conversion of 96.4\% and GC yield of 91.2\%. The improved catalytic performance was observed mainly due to the optimized catalyst molar ratio and strong surface basicity. The strong surface basic sites were greatly attributed to the incorporation of Cu2+ cations in the MgAl (O) periclase that efficiently catalyzed the transesterification of glycerol with DMC. Furthermore, the reported catalyst was robust and could be recycled for more than five times without any significant loss in its catalytic activity.}, issn = {2468-8231}, doi = {10.1016/j.mcat.2018.09.002}, author = {Manikandan, Marimuthu and Prabu, Marimuthu and Kumar, S. K. Ashok and Sangeetha, Palanivelu and Vijayaraghavan, Rajagopalan} } @article {44447, title = {Tuning the dimensionality of layered Srn+1Tin-xNixO3n+1 perovskite structures for improved activity in syngas generation}, journal = {Journal of Catalysis}, volume = {360}, year = {2018}, month = {APR }, pages = {27-39}, type = {Journal Article}, abstract = {

Interest in perovskite type oxides is growing due to their versatile catalytic applications. A series of Ruddlesden-Popper (RP) type layered perovskite oxides Srn+1Tin-xNixO3n+1 were prepared and evaluated for their catalytic activity in steam reforming, CO2 reforming and bi-reforming of methane. These materials, prepared through citrate gel method were characterized to understand their structure and Ni reducibility. Substitution of Ni in RP phases was established through refinement of XRD powder pattern. During methane reforming, the catalytic activity increased with the order of RP phase of SrTi1-xNixO3-δ (n = $\infty$). TPR results show variation in Ni reducibility with the order of RP phase, while TPD-O2 study helped to estimate oxygen vacancies. These vacancies seem to influence catalytic activity during methane reforming. Transient pulse experiments show that CO2 dissociates over oxygen vacancies to give CO and oxygen, with later replenishing lattice oxygen in SrTi0.8Ni0.2O3-δ (n = $\infty$) phases. Highly labile oxygen vacancies generated in the bulk of SrTi0.8Ni0.2O3-δ must be migrating to the surface, helping in the removal of coke formed. Characterization of catalysts after reaction helped in better understanding of coke precursors.

}, keywords = {Dry reforming, NickelSyngas, Ruddlesden-Popper (RP) perovskites, Steam reforming}, issn = {219517}, doi = {10.1016/j.jcat.2018.01.015}, author = {Dama, Srikanth}, editor = {Ghodke, Seema} } @article {45374, title = { Twelve-armed hexaphenylbenzene-based giant supramolecular framework for entrapping guest molecules}, journal = {ChemPlusChem}, volume = {83}, year = {2018}, month = {NOV}, pages = {1032-1037}, type = {Article}, abstract = {

Host-guest chemistry is a functional model in supramolecular chemistry for understanding specific process occurring in biological systems. Herein, we describe a rationally designed giant multiarmed hexaphenylbenzene (HPB)-based supramolecular frameworks which encapsulate a variety of guest molecules in the voids of their crystal lattice through the cooperative interplay of multivalency, noncovalent forces and backbone rigidity. In this connection, pseudo-axially substituted twelve-armed hexaphenylbenzene was synthesized and its molecular entrapping nature was studied by varying number of H-bond donor-acceptor sites in the arms. The per-methyl esterified HPB acted as a cavitand to include nonpolar and polar aprotic guests in its crystal structure via C-H center dot center dot center dot pi, C-H center dot center dot center dot O and C-H center dot center dot center dot N interactions. The corresponding amidated HPB showed unprecedented inclusion of ammonia and segregation of the guest molecules according to their polarity in the lattice. Furthermore, this molecular entrapping system has been used to obtain the crystal structure of a hitherto unproven 2-azaallenium intermediate, which had been proposed to be involved in aminomethylation of activated arenes.

}, issn = { 2192-6506}, doi = {10.1002/cplu.201800478}, author = {Madhu, Suresh and Gonnade, Rajesh G. and Das, Tamal and Vanka, Kumar and Sanjayan, Gangadhar J.} } @article {44442, title = {Two stereocentered HKR of anti-β,β'-diphenylpropanoxirane and anti-3-phenylethyloxiranes catalysed by Co(III)(salen)-OAc complex: enantioselective synthesis of (+)-sertraline and (+)-naproxen}, journal = {New Journal of Chemistry}, volume = {42}, year = {2018}, month = {May 2018}, pages = {10414-10420}, type = {Journal Article}, abstract = {

The Co(III)(salen)OAc-catalyzed two stereocentered hydrolytic kinetic resolution (HKR) of anti-β,β'-diphenylmethyloxirane and anti-3-phenylethyloxiranes affords the corresponding anti-1,2-diols and oxiranes in high enantiomeric excess. The synthetic potential of this methodology is demonstrated by the enantioselective synthesis of (+)-sertraline, an antidepressant drug, and (+)-naproxen, an anti-inflammatory drug.

}, issn = {11440546}, doi = {10.1039/c8nj01616j}, author = {Kamble, Rohit B.}, editor = {Devalankar, Dattatraya} } @article {46175, title = {Targeted phenotypic screening in plasmodium falciparum and toxoplasma gondii reveals novel modes of action of medicines for malaria venture malaria box molecules (vol 3, e00534-17, 2018)}, journal = {MSphere}, volume = {4}, year = {2019}, month = {APR}, pages = {e00159-19}, type = {Correction}, issn = {2379-5042}, doi = {10.1128/mSphere.00159-19}, author = {Subramanian, Gowtham and Belekar, Meenakshi A. and Shukla, Anurag and Tong, Jie Xin and Sinha, Ameya and Chu, Trang T. T. and Kulkarni, Akshay S. and Preiser, Peter R. and Reddy, D. Srinivasa and Tan, Kevin S. W. and Shanmugam, Dhanasekaran and Chandramohanadas, Rajesh} } @article {46116, title = {Taxonomic insights into the phylogeny of Bacillus badius and proposal for its reclassification to the genus Pseudobacillus as Pseudobacillus badius comb. nov. and reclassification of Bacillus wudalianchiensis Liu et al.}, journal = {Systematic and Applied Microbiology}, volume = {42}, year = {2019}, month = {MAY}, pages = {360-372}, type = {Article}, abstract = {

The species Bacillus badius is one of the oldest members of the genus Bacillus isolated from faeces of children and was classified based on its ability to form endospores [8]. In 16S rRNA gene sequence and phylogenetic analysis, Bacillus badius DSM 23(T) shared low similarity (93.0\%) and distant relationship with B. subtilis, the type species of the genus Bacillus indicating that it does not belong to this genus. Additional strains of the species, B. badius DSM 5610, DSM 30822 and B. encimensis SGD-V-25 (which has been recently reclassified as a member of this species) were included in the study to consider intraspecies diversity. Detailed molecular phylogenetic and comparative genome analysis clearly showed that the strains of B. badius were consistently retrieved outside the cluster of Bacillus sensu stricto and also distantly related to the genera Domibacillus and Quasibacillus. Further, the data from biochemical reactions (inability to ferment most carbohydrates), polar lipids profile (presence of diphosphatidylglycerol, phosphatidylglycerol, phosphatidylethanolamine and an aminophosphoglycolipid) and fatty acids supported the molecular analysis. Thus the four B. badius strains; DSM 23(T), DSM 5610, DSM 30822 and SGD-V-25 displayed sufficient demarcating phenotypic characteristics that warrant their classification as members of a novel genus and single species, for which the name Pseudobacillus badius gen. nov. comb. nov. is proposed with Pseudobacillus badius DSM 23(T) (= ATCC 14574(T)) as the type strain. Additionally, based on our findings from phenotypic, chemotaxonomic and genotypic parameters, Bacillus wudalianchiensis DSM 100757(T) was reclassified as Pseudobacillus wudalianchiensis comb. nov. (C) 2019 Elsevier GmbH. All rights reserved.

}, keywords = {16S rRNA, Bacillus, Bacillus wudalianchiensis, Fatty acids, polar lipids, Pseudobacillus}, issn = {0723-2020}, doi = {10.1016/j.syapm.2019.03.003}, author = {Verma, Ashish and Pal, Yash and Ojha, Anup Kumar and Kumari, Munesh and Khatri, Indu and Rameshkumar, N. and Schumann, Peter and Dastager, Syed G. and Mayilraj, Shanmugam and Subramanian, Srikrishna and Krishnamurthi, Srinivasan} } @article {45605, title = {Telescoped sequence of exothermic and endothermic reactions in multistep flow synthesis}, journal = {Organic Process Research and Development}, year = {2019}, month = {JAN}, pages = {Article ASAP}, type = {Article}, abstract = {A multistep sequential flow synthesis of isopropyl phenol is demonstrated, involving 4-step exothermic, endothermic, and temperature sensitive reactions such as nitration, reduction, diazotization, and high temperature hydrolysis. Nitration of cumene with fuming nitric acid produces 2- and 4-nitrocumene which are converted into respective cumidines by the hydrogenation using Pd/Ni catalyst in H-cube with gravity separation. Hydrolysis of in situ generated diazonium salts in the boiling acidic conditions is carried out using integration of flow and microwave-assisted synthesis. 58\% of 4-isopropyl phenol was obtained. The sequential flow synthesis can be applied to synthesize other organic compounds involving this specific sequence of reactions.}, doi = {10.1021/acs.oprd.8b00008}, author = {Sharma, Y. and Nikam, A. V. and Kulkarni, A. A.} } @article {46244, title = { Temperature-dependent phonon dynamics of supported and suspended monolayer tungsten diselenide }, journal = {AIP Advances}, volume = {9}, year = {2019}, month = {AUG}, type = {Article}, abstract = {

Two-dimensional materials exhibit great potential for high-performance electronics applications and the knowledge of their thermal properties is extremely necessary, since they are closely related to efficient heat dissipation and electron-phonon interactions. In this study we report the temperature-dependence of the out-of-plane A(1g) Raman mode of suspended and supported CVD-grown single-crystalline tungsten diselenide (WSe2) monolayer. The A(1g) phonon wavenumber is linearly red-shifted for temperature ranging from 98 to 513 K, with first-order temperature coefficients beta of -0.0044 and -0.0064 cm(-1)/K for suspended and supported monolayer WSe2, respectively. The higher beta module value for supported sample is attributed to the increase of the phonon anharmonicity due to the phonon scattering with the surface roughness of the substrate. Our analysis of the temperature-dependent phonon dynamics reveal the influence of the substrate on thermal properties of monolayer WSe2 and provide fundamental information for developing of atomically-thin 2D materials devices. (C) 2019 Author(s).

}, doi = {10.1063/1.5118004}, author = {Carvalho, Thais C. V. and Araujo, Francisco D. V. and dos Santos, Clenilton Costa and Alencar, Luciana M. R. and Ribeiro-Soares, Jenaina and Late, Dattatray J. and Lobo, Anderson Oliveira and Souza Filho, Antonio Gomes and Alencar, Rafael S. and Viana, Bartolomeu C.} } @article {46185, title = {Temperature-dependent photoluminescence and energy-transfer dynamics in Mn2+-doped (C4H9NH3)(2)PbBr4 two-dimensional (2D) layered perovskite}, journal = {Journal of Physical Chemistry C}, volume = {123}, year = {2019}, month = {FEB}, pages = {4739-4748}, type = {Article}, abstract = {

Reported here are the low-temperature photoluminescence (PL), energy-transfer mechanism, and exciton dynamics of Mn2+-doped two-dimensional (2D) perovskites that show interesting differences from their three-dimensionally doped counterpart. Dopant emission in 2D system shows increased PL intensity and shortened lifetime with increase of temperature and strong dopant emission even at low temperatures. Transient absorption (TA) spectroscopy reveals the dominant role of {\textquoteleft}{\textquoteleft}hot{\textquoteright}{\textquoteright} excitons in dictating the fast energy-transfer timescale. The operative dynamics of the generated hot excitons include filling up of existing trap states (shallow and deep) and energy-transfer channel from hot excitons to dopant states. Global analysis and target modeling of TA data provide an estimate of excitons (hot and band edge) to a dopant energy-transfer timescale of similar to 330 ps, which is much faster than the band edge exciton lifetime (similar to 2 ns). Such fast energy-transfer timescale arises due to enhanced carrier exchange interaction resulting from higher exciton confinement, increased covalency, and involvement of hot excitons in the 2D perovskites. In stark contrast to three-dimensional systems, the high energy-transfer rate in 2D system results in high dopant emission intensity even at low temperatures. Increased intrinsic vibronic coupling at higher temperatures further supports efficient Mn2+ sensitization that ultimately dictates the observed temperature dependence of the dopant emission (intensity, lifetime).

}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.9b00207}, author = {Bakthavatsalam, Rangarajan and Biswas, Anupam and Chakali, Madhu and Bangal, Prakriti Ranjan and Kore, Bhushan P. and Kundu, Janardan} } @article {46198, title = {Temperature-dependent Raman spectroscopy and sensor applications of PtSe2 nanosheets synthesized by wet chemistry}, journal = {Beilstein Journal of Nanotechnology}, volume = {10}, year = {2019}, month = {FEB }, pages = {467-474}, type = {Article}, abstract = {

We report on a wet chemistry method used to grow PtSe2 nanosheets followed by thermal annealing. The SEM and TEM analysis confirms the formation of PtSe2 nanosheets. Furthermore, XRD, Raman, XPS and SAED patterns were used to analyze the crystal structure and to confirm the formation of the PtSe2 phase. The temperature-dependent Raman spectroscopy investigations were carried out on PtSe2 nanosheets deposited on Si substrates in the temperature range 100-506 K. The shifts in Raman active E-g and A(1g) modes as a function of temperature were monitored. The temperature coefficient for both modes was calculated and was found to match well with the reported 2D transition metal dichalcogenides. A PtSe2 nanosheet-based sensor device was tested for its applicability as a humidity sensor and photodetector. The humidity sensor based on PtSe2 nanosheets showed an excellent recovery time of approximate to 5 s, indicating the great potential of PtSe2 for future sensor devices.

}, keywords = {nanosheets, PtSe2, Raman spectroscopy, Sensor, thermal effect}, issn = {2190-4286}, doi = {10.3762/bjnano.10.46}, author = {Pawar, Mahendra S. and Late, Dattatray J.} } @article {45524, title = {Terpene profiling, transcriptome analysis and characterization of cis{\textendash}terpineol synthase from Ocimum}, journal = {Physiology and Molecular Biology of Plants}, volume = {25}, year = {2019}, month = {JAN}, pages = {47-57}, type = {Article}, abstract = {

Ocimum species produces a varied mix of different metabolites that imparts immense medicinal properties. To explore this chemo-diversity, we initially carried out metabolite profiling of different tissues of five Ocimum species and identified the major terpenes. This analysis broadly classified these five Ocimum species into two distinct chemotypes namely, phenylpropanoid-rich and terpene-rich. In particular, -caryophyllene, myrcene, limonene, camphor, borneol and selinene were major terpenes present in these Ocimum species. Subsequently, transcriptomic analysis of pooled RNA samples from different tissues of Ocimum gratissimum, O. tenuiflorum and O. kilimandscharicum identified 38 unique transcripts of terpene synthase (TPS) gene family. Full-length gene cloning, followed by sequencing and phylogenetic analysis of three TPS transcripts were carried out along with their expression in various tissues. Terpenoid metabolite and expression profiling of candidate TPS genes in various tissues of Ocimum species revealed spatial variances. Further, putative TPS contig 19414 (TPS1) was selected to corroborate its role in terpene biosynthesis. Agrobacterium-mediated transient over-expression assay of TPS1 in the leaves of O. kilimandscharicum and subsequent metabolic and gene expression analyses indicated it as a cis{\textendash}terpineol synthase. Overall, present study provided deeper understanding of terpene diversity in Ocimum species and might help in the enhancement of their terpene content through advanced biotechnological approaches.

}, keywords = {Agro-infiltration assay, Metabolite profiling, Ocimum, Terpene synthase, Terpenes, Transcriptome}, issn = {0971-5894}, doi = {10.1007/s12298-018-0612-6}, author = {Anand, Atul and Jayaramaiah, Ramesha H. and Beedkar, Supriya D. and Dholakia, Bhushan B. and Lavhale, Santosh G. and Punekar, Sachin A. and Gade, Wasudeo N. and Thulasiram, Hirekodathakallu V. and Giri, Ashok P.} } @article {46091, title = {Tf2NH catalyzed 1,6-conjugate addition of 2-hydroxy-p-quinone methides with -functionalized ketones: access to 2,3,4,9-Tetrahydro-1H-xanthenones and 4H-Chromene Derivatives}, journal = {European Journal of Organic Chemistry}, year = {2019}, month = {JUN }, pages = {3127-3133}, type = {Article}, abstract = {

A Bronsted acid catalyzed tandem 1,6-conjugate sequential cycloaddition reaction using 2-hydroxy-p-quinone methides and -functionalized ketones is reported. The method allows xanthenones and chromenes to be accessed in moderate to excellent yield with broad substrate scope, which could be further functionalized to give a versatile set of products.

}, keywords = {-Functionalized ketone, 1, 6-Conjugated addition, Bronsted acid, Chromenes, Xanthenones}, issn = {1434-193X}, doi = {10.1002/ejoc.201900370}, author = {Satbhaiya, Shruti and Khonde, Nilesh S. and Rathod, Jayant and Gonnade, Rajesh and Kumar, Pradeep} } @article {45482, title = {Thermally crosslinkable and chemically modifiable aromatic polyesters possessing pendant propargyloxy groups}, journal = {Journal of Polymer Science Part A-Polymer Chemistry}, volume = {57}, year = {2019}, month = {MAR}, pages = {588-597}, type = {Article}, abstract = {

New aromatic (co)polyesters containing pendant propargyloxy groups were synthesized by phase transfer-catalyzed interfacial polycondensation of 5-(propargyloxy)isophthaloyl chloride (P-IPC) and various compositions of P-IPC and isophthaloyl chloride with bisphenol A. FTIR and NMR spectroscopic data, respectively, revealed successful incorporation of pendant propargyloxy groups into (co)polyesters and formation of (co)polyesters with desired compositions. (Co)polyesters exhibited good solubility in common organic solvents such as chloroform, dichloromethane, and tetrahydrofuran and could be cast into transparent, flexible, and tough films from chloroform solution. Inherent viscosities and number average molecular weights of (co)polyesters were in the range 0.77-1.33 dL/g and 43,600-118,000 g/mol, respectively, indicating the achievement of reasonably high-molecular weights. The 10\% weight loss temperatures of (co)polyesters were in the range 390-420 degrees C, demonstrating their good thermal stability. (Co)polyesters exhibited T-g in the range 146-170 degrees C and T-g values decreased with increase in mol \% incorporation of P-IPC. The study of non-isothermal curing by DSC indicated thermal crosslinking of (co)polyesters via propargyloxy groups. The utility of pendant propargyloxy group was demonstrated by post-modification of the selected copolyester with 1-(4-azidobutyl)pyrene, 9-(azidomethyl)anthracene, and azido-terminated poly(ethyleneglycol) monomethyl ether via copper(I)-catalyzed Huisgen 1,3-dipolar cycloaddition reaction. FTIR and H-1 NMR spectra confirmed that click reaction was quantitative. (c) 2018 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2019, 57, 588-597

}, keywords = {Click chemistry, crosslinking, modification, polyesters, propargyloxy, step-growth polymerization}, issn = {0887-624X}, doi = {10.1002/pola.29297}, author = {Verma, Savita and Maher, Deepak M. and Nagane, Samadhan S. and Tawade, Bhausaheb V. and Wadgaonkar, Prakash P.} } @article {45580, title = {Thermodynamic Analysis of EMISE{\textendash} water as a working pair for absorption refrigeration system}, journal = {Applied Thermal Engineering}, volume = {148}, year = {2019}, month = {FEB}, pages = {787-795}, type = {Article}, abstract = {

In this paper, thermodynamic analysis of novel ionic liquid 1 Ethyl-3-methylimidazolium ethyl sulphate (EMISE) as absorbent and water as green refrigerant for absorption refrigeration system (ARS) is performed. Thermodynamics excess properties like excess Gibbs free energy (GE), excess enthalpy (hE) and equilibrium D{\"u}hring{\textquoteright}s plot (P-T-x1) of EMISE-H2O binary mixture are assessed using non-random two liquid (NRTL) activity coefficient model for composition x1 of 0.45{\textendash}1. The performance of single effect ARS with SHE are mathematically modeled and simulated by applying first and second laws (exergy analysis) of thermodynamics. Simulated results of ARS are compared with other widely used working fluids and revealed higher COP of 0.66 for EMISE-H2O in comparison to NH3-H2O but lower than LiBr-H2O. In addition, the deviation in the COP and ECOP with the generator temperatures are compared for the evaporation temperature of 5, 10, 15 {\textdegree}C. Result showed noticeable difference between the optimum generator temperature based on COP and ECOP. This indicates the exergy analysis is used for evaluation of ARS and selection of heat source supply temperature obtained from waste heat and renewable solar energy.

}, doi = {10.1016/j.applthermaleng.2018.11.092}, author = {Takalkar, G. D. and Bhosale, R. R. and Mali, N. A. and Bhagwat, S. S.} } @article {46191, title = {Thermodynamic view of dynamic allostery in a PDZ domain protein}, journal = {Biophysical Journal}, volume = {116}, year = {2019}, month = {FEB }, pages = {163A}, type = {Meeting Abstract}, issn = {0006-3495}, doi = {10.1016/j.bpj.2018.11.905}, author = {Kumawat, Amit and Chakrabarty, Suman} } @article {46016, title = {Thiazolyl-pyrazole derivatives as potential antimycobacterial agents}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {29}, year = {2019}, month = {MAY}, pages = {1199-1202}, type = {Article}, abstract = {

Mycobacterium tuberculosis (Mtb) is an obligate aerobe that is capable of long-term persistence under conditions of low oxygen tension. A series of thiazolyl-pyrazole derivatives (6a-f, 7a-f, 8c, 8e) were screened for antimycobacterial activity against dormant M. tuberculosis H37Ra (D-MTB) and M. bovis BCG (D-BCG). Nine thiazolyl- pyrazole analogs, 6c, 6e, 7a, 7b, 7c, 7e, 7f, 8c and 8e exhibited promissing minimum inhibitory concentration (MIC) values (0.20-28.25 mu g/mL) against D-MTB and D-BCG strains of Mtb. Importantly, six compounds (7a, 7b, 7e, 7f, 8c and 8e) exhibited excellent antimycobacterial activity and low cytotoxicity at the maximum evaluated concentration of \> 250 mu g/mL. Finally, the promising antimycobacterial activity and lower cytotoxicity profile suggested that, these compounds could be further subjected for optimization and development as a lead, which could have the potential to treat tuberculosis.

}, keywords = {antimycobacterial activity, Cytotoxicity, Pyrazole, thiazoles}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2019.03.020}, author = {Takate, Sushma J. and Shinde, Abhijit D. and Karale, Bhausaheb K. and Akolkar, Hemant and Nawale, Laxman and Sarkar, Dhiman and Mhaske, Pravin C.} } @article {46053, title = {Thiol and halometallate, mutually passivated quantum dot ink for photovoltaic application}, journal = {ACS Applied Materials \& Interfaces}, volume = {11}, year = {2019}, month = {JUL}, pages = {26100-26108}, type = {Article}, abstract = {

Tunable-band-gap colloidal QDs are a potential building block to harvest the wide-energy solar spectrum. The solution-phase surface passivation with lead halide-based halometallate ligands has remarkably simplified the processing of quantum dots (QDs) and enabled the proficient use of materials for the development of solar cells. It is, however, shown that the hallometalate ligand passivated QD ink allows the formation of thick crystalline shell layer, which limits the carrier transport of the QD solids. Organic thiols have long been used to develop QD solar cells using the solid-state ligand exchange approach. However, their use is limited in solution-phase passivation due to poor dispersity of thiol-treated QDs in common solvents. In this report, a joint passivation strategy using thiol and halometallate ligand is developed to prepare the QD ink. The mutually passivated QDs show a 50\% reduction in shell thickness, reduced trap density, and improved monodispersity in their solid films. These improvements lead to a 4 times increase in carrier mobility and doubling of the diffusion length, which enable the carrier extraction from a much thicker absorbing layer. The photovoltaic devices show a high efficiency of 10.3\% and reduced hysteresis effect. The improvement in surface passivation leads to reduced oxygen doping and improved ambient stability of the solar cells.

}, keywords = {ligand, mobility, quantum dot, solar cell, surface passivation}, issn = {1944-8244}, doi = {10.1021/acsami.9b07605}, author = {Mandal, Debranjan and Goswami, Prasenjit N. and Rath, Arup K.} } @article {47163, title = {Three-dimensional printing with waste high-density polyethylene}, journal = {ACS Applied Polymer Materials}, volume = {1}, year = {2019}, month = {NOV}, pages = {3157-3164}, type = {Article}, abstract = {

Fused filament fabrication (FFF) three-dimensional (3D) printing of semicrystalline polymers such as high density polyethylene (HDPE) is challenging because crystallization-induced shrinkage of the filament, as it cools, results in stresses that warp the printed part and debond it from the print substrate. Here, we demonstrate that waste-derived HDPE can be successfully 3D printed by (i) blending with a small fraction (\<0.5\% by weight) of dimethyl dibenzylidene sorbitol (DMDBS) and (similar to 10\%) linear low density polyethylene (LLDPE) and (ii) printing the object with a thin {\textquoteleft}{\textquoteleft}brim{\textquoteright}{\textquoteright} around it that is adhered to the print substrate using common polyvinyl acetate-based glue. We match our experimental results with FEM simulations that provide insight into the origin of the stresses developed during printing. Because HDPE forms a significant fraction of the plastic waste stream, conversion of waste-derived HDPE to 3D printing filament has important technological implications.

}, keywords = {3d printing polyethylene printing, polymer blend, Recyclability, warpage}, issn = {2637-6105}, doi = {10.1021/acsapm.9b00813}, author = {Gudadhe, Aniket and Bachhar, Nirmalya and Kumar, Anil and Andrade, Prem and Kumaraswamy, Guruswamy} } @article {46081, title = {TiCl4-n-Bu3N-mediated cascade annulation of ketones with alpha-ketoesters: a facile synthesis of highly substituted fused gamma-alkylidene-butenolides}, journal = {Organic \& Biomolecular Chemistry}, volume = {17}, year = {2019}, month = {JUN}, pages = {5749-5759}, type = {Article}, abstract = {

A facile protocol for the synthesis of highly substituted fused gamma-alkylidene butenolides using direct annulation of ketones with alpha-ketoesters, which proceeds through TiCl4-n-Bu3N mediated aldol addition followed by an intramolecular enol-lactonization/cyclization cascade, is reported. Diverse 6-5, 7-5 and 8-5 fused bicyclic gamma-ylidene butenolides and highly substituted monocyclic analogs related to biologically relevant natural products were prepared from readily accessible ketone and alpha-ketoester building blocks. The highly step-economic cascade nature, good substrate scope, easy access to complex products with good to excellent yields, gram-scalability, demonstration of synthetic utility, and unambiguous structural confirmation through X-ray crystallography analyses and analogy are the salient features of this work.

}, issn = {1477-0520}, doi = {10.1039/c9ob00649d}, author = {Palange, Megha N. and Gonnade, Rajesh G. and Kontham, Ravindar} } @article {45599, title = {Total synthesis of marine natural products serinolamide A and columbamide D}, journal = {ACS Omega}, volume = {4}, year = {2019}, month = {JAN}, pages = {1322{\textendash}1328}, type = {Article}, abstract = {

In this report, an expeditious synthesis of two new biologically active marine natural products serinolamide A and columbamide D is documented. This convergent approach involves the key steps such as hydrolytic kinetic resolution, cross metathesis, Grignard reaction, Johnson{\textendash}Claisen rearrangement, Mitsunobu, and so forth. Both of the target molecules were obtained from a common precursor (R)-7 with high enantioselectivity, less synthetic steps, and in good overall yields (serinolamide A 66\% and columbamide D 62\%).

}, doi = {10.1021/acsomega.8b03417}, author = {Ghotekar, G. S. and Mujahid, M. and Muthukrishnan, M.} } @article {46058, title = {Total synthesis of Met(10)-teixobactin}, journal = {Tetrahedron Letters}, volume = {60}, year = {2019}, month = {JUL }, pages = {1909-1912}, type = {Article}, abstract = {

The total synthesis of cyclic depsipeptide Met(10)-teixobactin in solution-phase is described. Teixobactin is a structurally and mechanistically novel antimicrobial peptidic natural product with very impressive activities against Gram-positive pathogens. It happens to possess an L-allo-enduracididine (End) residue as part of macrocyclic ring which is not readily accessible. In this report, we have used serine ligation strategy as the key step to prepare an analogue of teixobactin where End being replaced with a readily available amino acid methionine. (C) 2019 Elsevier Ltd. All rights reserved.

}, keywords = {antibiotic, Cyclic tetrapeptides, Serine ligation, Teixobactin}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2019.06.027}, author = {Gunjal, Vidya B. and Reddy, D. Srinivasa} } @article {46115, title = {Total synthesis of (+/-)-quinagolide: a potent D-2 receptor agonist for the treatment of hyperprolactinemia}, journal = {ACS Omega}, volume = {4}, year = {2019}, month = {MAY}, pages = {8231-8238}, type = {Article}, abstract = {

A potent dopamine (D-2) receptor agonist (+/-)-quinagolide, which is used for the treatment of hyperprolactinemia, was synthesized using the ring closing metathesis (RCM) approach from meta-hydroxybenzaldehyde as the starting material. The key features of this synthesis are pyrolytic elimination, late-stage expedient synthesis of functionalized trans-fused tetrahydropyridine-3-carboxylates from olefin 6, via conjugate addition-elimination upon acetate 11, followed by RCM and phenyliodine bis(trifluoroacetate) (PIFA)-mediated Hofmann rearrangement of piperidine-3-carboxamide, which enables the synthesis of 3-aminopiperidine skeleton of quinagolide. For the total synthesis of natural products such as ergot alkaloids, late-stage synthesis of functionalized trans-fused tetrahydropyridine-3-carboxylates using RCM and PIFA-mediated Hofmann rearrangement of piperidine-3-carboxamide, which allows quick access to the synthetically challenging 3-aminopiperidine skeleton, are the main achievements of the present work.

}, issn = {2470-1343}, doi = {10.1021/acsomega.9b00903}, author = {Chavan, Subhash P. and Kadam, Appasaheb L. and Kawale, Sanket A.} } @article {45540, title = {Trans-A(2)B(2) Zn(II) porphyrin dyes with various donor groups and their Co-sensitization for highly efficient dye-sensitized solar cells}, journal = {Dyes and Pigments}, volume = {160}, year = {2019}, month = {JAN}, pages = {386-394}, type = {Article}, abstract = {

{We have designed and synthesized four donor-acceptor based trans-A(2)B(2) Zn(II) porphyrin dyes with various donor moieties and phenylcarboxy as acceptor group in three steps. Two strong electron-donating groups (carbazole, phenothiazine, pyrene and bisthiophene) were attached to porphyrin core to enhance the light absorption of dye molecules and phenylcarboxy acted as acceptor group on TiO2 surface. The alkyl chains present in KP-Zn-CBZ and KP-Zn-PTZ dyes are helpful to suppress the aggregation of dyes at the semiconductor surface. The synthetic route of these dyes was facile, high yield and three steps procedure which involved MacDonald condensation followed by hydrolysis and Zn insertion. The absorption and emission bands of all four dyes were broadened and red shifted due to the charge transfer from donor groups to porphyrin moiety. A wide range of power conversion efficiency was shown by dyes and the order of eta was as followed KP-Zn-PTZ (5.48\%) \> KP-Zn-PYR (3.38\%) \> KP-Zn-CBZ (2.64\%) \> KP-Zn-BTP (1.71\%). Co-sensitization of porphyrin dyes with N719 dye promoted the complementary absorption in the visible region and put a restriction on dye aggregation also which improved the cell performance. Co-sensitized KP-Zn-PTZ with N719 dye showed the highest PCE efficiency up to 8.80\% with a J(SC) = 17.4 mA cm(-2)

}, issn = {0143-7208}, doi = {10.1016/j.dyepig.2018.08.029}, author = {Prakash, Kamal and Sudhakar, Vediappan and Sankar, Muniappan and Krishnamoorthy, Kothandam} } @article {46123, title = {Transcriptomics analysis of propiconazole-treated Cochliobolus sativus reveals new putative azole targets in the plant pathogen}, journal = {Functional \& Integrative Genomics}, volume = {19}, year = {2019}, month = {MAY}, pages = {453-465}, type = {Article}, abstract = {

Cochliobolus sativus (anamorph: Bipolaris sorokiniana) is a filamentous fungus from the class Dothideomycetes. It is a pathogen of cereals including wheat and barley, and causes foliar spot blotch, root rot, black point on grains, head blight, leaf blight, and seedling blight diseases. Annual yields of these economically important cereals are severely reduced due to this pathogen attack. Evolution of fungicide resistant pathogen strains, availability of a limited number of potent antifungal compounds, and their efficacy are the acute issues in field management of phytopathogenic fungi. Propiconazole is a widely used azole fungicide to control the disease in fields. The known targets of azoles are the demethylase enzymes involved in ergosterol biosynthesis. Nonetheless, azoles have multiple modes of action, some of which have not been explored yet. Identifying the off-target effects of fungicides by dissecting gene expression profiles in response to them can provide insights into their modes of action and possible mechanisms of fungicide resistance. Moreover it can also reveal additional targets for development of new fungicides. Hence, we analyzed the global gene expression profile of C. sativus on exposure to sub-lethal doses of propiconazole in a time series. The gene expression patterns were confirmed using quantitative reverse transcriptase PCR (qRT-PCR). This study revealed overexpression of target genes from the sterol biosynthesis pathway supporting the reported mode of resistance against azoles. In addition, some new potential targets have also been identified, which could be explored to develop new fungicides and plant protection strategies.

}, keywords = {Bipolaris sorokiniana, Cochliobolus sativus, Fungicide resistance, Propiconazole, RNA-seq, Transcriptomics analysis}, issn = {1438-793X}, doi = {10.1007/s10142-019-00660-9}, author = {Somani, Deepika and Adhav, Ragini and Prashant, Ramya and Kadoo, Narendra Y.} } @article {46195, title = {Transition-metal-free benzannulation of tricarbonyl derivatives with arynes: access to 1,3-dinaphthol precursors for the synthesis of rhodamine dye analogues}, journal = {Journal of Organic Chemistry}, volume = {84}, year = {2019}, month = {FEB}, pages = {2269-2276}, type = {Article}, abstract = {

Herein, we report a transition-metal-free annulation reaction of benzynes and 1,3-oxopentanedioate for the synthesis of highly functionalized naphthalene derivatives for the first time. Additionally, the representative naphthalene derivatives have been successfully transformed into the new series of rhodamine dye analogues.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.8b02560}, author = {Ghotekar, Ganesh S. and Shaikh, Aslam C. and Muthukrishnan, M.} } @article {46108, title = {Transition-metal-free glucose-derived carbonaceous catalyst catalyzes direct C-H arylation of unactivated arenes with aryl halides}, journal = {ChemistrySelect}, volume = {4}, year = {2019}, month = {MAY }, pages = {4848-4853}, type = {Article}, abstract = {

Transition metal free coupling reactions have gained lot of importance recently. The traditional method for the synthesis of biaryl{\textquoteright}s uses organometallic reagents for the arylation reactions. There are certain drawbacks associated with such traditional methods. Use of expensive metals, metal impurities in the products formed and disposal of metal waste generated are major problems that need to be taken care of. Thus, research has been focussed on using transition metal free catalyst for cross coupling reactions to encourage green environment and it still remains a challenge for researchers. Carbonaceous catalyst have attracted great attention recently as a heterogeneous catalyst as it has a carbon skeleton that is stable, easily separable, reusable, eco-friendly and highly economical compared to other heterogeneous catalyst. Carbonaceous catalysts have been studied in variety of organic reactions such as hydrolysis, dehydration, esterification, alkylation, condensation, oxathioketalization, dimerization, benzylation and trimethylsilylation, etc. It was estimated that - stacking interactions between carbonaceous catalyst and arenes will accelerate the coupling reaction. However to the best of our knowledge, there are no reports available in literature on use of carbonaceous catalyst for direct arylation of arenes. And thus, we developed a new method for C-H arylation of unactivated arenes with aryl halides using a transition metal free D-glucose derived carbonaceous catalyst.

}, keywords = {Arylation, carbonaceous, glucose, metal-free}, issn = {2365-6549}, doi = {10.1002/slct.201900013}, author = {Jori, Popat K. and Jadhav, Vrushali H.} } @article {45586, title = {Transition-metal-free regioselective one-pot synthesis of aryl sulfones from sodium sulfinates via quinone imine ketal}, journal = {Journal of Organic Chemistry}, volume = {84}, year = {2019}, month = {JAN}, pages = {1372{\textendash}1378}, type = {Article}, abstract = {A novel, efficient, and regioselective transition-metal-free one-pot synthesis of aryl sulfones via the reactive quinone imine ketal intermediate is demonstrated using easily accessible bench-stable sulfinate salts. A broad range of functionality on p-anisidine substrates as well as sulfinate salts was tolerated under mild reaction conditions to provide the corresponding aryl sulfones in good to excellent yields.}, doi = {10.1021/acs.joc.8b02835}, author = {Halder, P. and Humne, V. T. and Mhaske, S. B.} } @article {46134, title = {Triazine functionalized porous covalent organic framework for photo-organocatalytic E-Z isomerization of olefins}, journal = {Journal of the American Chemical Society}, volume = {141}, year = {2019}, month = {APR }, pages = {6152-6156}, type = {Article}, abstract = {

Visible light-mediated photocatalytic organic transformation has drawn significant attention as an alternative process for replacing thermal reactions. Although precious metal/organic dyes based homogeneous photocatalysts have been developed, their toxic and nonreusable nature makes them inappropriate for large-scale production. Therefore, we have synthesized a triazine and a keto functionalized nonmetal based covalent organic framework (TpTt) for heterogeneous photo catalysis. As the catalyst shows significant absorption of visible light, it has been applied for the photocatalytic uphill conversion of trans-stilbene to cis-stilbene in the presence of blue light-emitting diodes with broad substrate scope via an energy transfer process.

}, issn = {0002-7863}, doi = {10.1021/jacs.9b01891}, author = {Bhadra, Mohitosh and Kandambeth, Sharath and Sahoo, Manoj K. and Addicoat, Matthew and Balaraman, Ekambaram and Banerjee, Rahul} } @article {46243, title = {Two-step sequence of acetalization and hydrogenation for synthesis of diesel fuel additives from furfural and diols.}, journal = {Energy \& Fuels}, volume = {33}, year = {2019}, month = {AUG}, pages = {7466-7472}, type = {Article}, abstract = {

Acetalization of diols with furfural and subsequent hydrogenation of acetal products provided potential fuel additives that could be blended into commercial diesel. Glycerol could be an interesting polyol for acetalization with furfural due to its low cost, and it is produced as a byproduct in very large amount in the process of biodiesel production. In this work, glycerol acetalization with furfural has been selected as a model reaction. Acetalization reaction was performed under neat conditions (solventless) with 1:1 molar ratio of furfural and glycerol at room temperature over various acid catalysts, including homogeneous and heterogeneous acids. Among several catalysts, Zr-Mont, a heterogeneous solid acid having controlled acidity, gave as high as 78\% isolated yield of acetal products. Interestingly, acetal products can be isolated in pure form by performing extraction using cyclohexane that enables selective extraction of product, and unreacted glycerol and furfural were left in aqueous phase, which can be recycled. Further, to make fuel components from isolated acetal product of glycerol and furfural, hydrogenation was performed over a series of supported noble-metal catalysts under low H-2 pressure at room temperature. Among them, 5\% Pd/C showed very high activity for ring hydrogenation that resulted in high yield of hydrogenation products. However, hydrogenated product contains free hydroxyl group that needs to be subsequently etherified or acetylated. Interestingly, etherified derivative was obtained in high yield compared to acetylated derivative. In addition, several other diols were treated with furfural and their products were subsequently hydrogenated over 5\% Pd/C under very low H-2 pressure. The properties of resulting compounds were investigated so as to find most suitable candidates as additives to commercial diesel.

}, doi = {10.1021/acs.energyfuels.9b01640}, author = {Patil, Anil and Shinde, Suhas and Kamble, Sanjay and Rode, Chandrashekhar, V} } @article {46956, title = {Tale of biphenyl and terphenyl substituents for structurally diverse ketiminato magnesium, calcium and germanium complexes}, journal = {Chemistry-An Asian Journal}, volume = {15}, year = {2020}, month = {MAR}, pages = {820-827}, type = {Article}, abstract = {

In this paper, we have used two N,O-ketiminato ligands (L1 and L2) with biphenyl and terphenyl substituent on the nitrogen atom. Deprotonation of L1 with KN(SiMe3)(2) and subsequent reaction with MgI2 led to a homoleptic dinuclear magnesium complex (1) with a Mg2O2 four-membered ring. Deprotonation with nBuLi and subsequent reaction with MgI2 afforded a unusual dinuclear magnesium complex (2) with a Mg2O2 ring. Extension of the ligand for calcium resulted in a trinuclear calcium complex (3) with six four-membered Ca2O2 rings. We could not isolate any chelating complex when L2 was used as a ligand, and only oxygen bound magnesium (4) and calcium (5) adducts were isolated. DFT studies were performed to understand this dissimilar behavior. More diverse results were obtained when lithiated L1 and L2 were treated with germanium dichloride. We were able to stabilize a monomeric germylene monochloride (7) with L1. However, with L2, an unusual ligand scrambling, and a C-C coupling take place, leading to the formation of a secondary carbocation with GeCl3- as a counter-anion (8). Besides, a germanium dichloride adduct (9) bound to the oxygen center of the ligand was obtained as the minor product.

}, keywords = {calcium, Germylene, ligand, Magnesium, X-ray Structure}, issn = {1861-4728}, doi = {10.1002/asia.201901801, Early Access Date = FEB 2020}, author = {Kumar, Rohit and Yadav, Sandeep and Gour, Kritika and Sangtani, Ekta and Ranjan Dash, Soumya and Raja, Abhishekram and Vanka, Kumar and Gonnade, Rajesh G. and Sen, Sakya S.} } @article {47004, title = {TDR Targets 6: driving drug discovery for human pathogens through intensive chemogenomic data integration}, journal = {Nucleic Acids Research}, volume = {48}, year = {2020}, month = {JAN }, pages = {D992-D1005}, type = {Article}, abstract = {

The volume of biological, chemical and functional data deposited in the public domain is growing rapidly, thanks to next generation sequencing and highly-automated screening technologies. These datasets represent invaluable resources for drug discovery, particularly for less studied neglected disease pathogens. To leverage these datasets, smart and intensive data integration is required to guide computational inferences across diverse organisms. The TDR Targets chemogenomics resource integrates genomic data from human pathogens and model organisms along with information on bioactive compounds and their annotated activities. This report highlights the latest updates on the available data and functionality in TDR Targets 6. Based on chemogenomic network models providing links between inhibitors and targets, the database now incorporates network-driven target prioritizations, and novel visualizations of network subgraphs displaying chemical- and target-similarity neighborhoods along with associated target-compound bioactivity links. Available data can be browsed and queried through a new user interface, that allow users to perform prioritizations of protein targets and chemical inhibitors. As such, TDR Targets now facilitates the investigation of drug repurposing against pathogen targets, which can potentially help in identifying candidate targets for bioactive compounds with previously unknown targets. TDR Targets is available at https://tdrtargets.org.

}, issn = {0305-1048}, doi = {10.1093/nar/gkz999}, author = {Landaburu, Lionel Uran and Berenstein, Ariel J. and Videla, Santiago and Maru, Parag and Shanmugam, Dhanasekaran and Chernomoretz, Ariel and Aguero, Fernan} } @article {46644, title = {Teixobactin: a paving stone toward a new class of antibiotics?}, journal = {Journal of Medicinal Chemistry}, volume = {63}, year = {2020}, month = {NOV }, pages = {12171-12195}, type = {Article}, abstract = {

Antimicrobial resistance is a serious threat to human health worldwide, prompting research efforts on a massive scale in search of novel antibiotics to fill an urgent need for a remedy. Teixobactin, a macrocyclic depsipeptide natural product, isolated from uncultured bacteria (Elef theria terrae), displayed potent activity against several Gram-positive pathogenic bacteria. The distinct pharmacological profile and interesting structural features of teixobactin with nonstandard amino acid (three Damino acids and L-allo-enduracididine) residues attracted several research groups to work on this target molecule in search of novel antibiotics with new mechanism. Herein, we present a comprehensive and critical perspective on immense possibilities offered by teixobactin in the domain of drug discovery. Efforts made by various research groups since its isolation are discussed, highlighting the molecule{\textquoteright}s considerable potential with special emphasis on replacement of amino acids. Critical analysis of synthetic efforts, SAR studies, and the way forward are provided hereunder.

}, issn = {0022-2623}, doi = {10.1021/acs.jmedchem.0c00173}, author = {Gunjal, Vidya B. and Thakare, Ritesh and Chopra, Sidharth and Reddy, D. Srinivasa} } @article {46980, title = {Temperature assisted reorganization of silver nanoparticles in free-standing, flexible chitosan functionalized reduced graphene oxide thick films: A potential SERS probe for folic acid sensing}, journal = {Materials Science and Engineering B-Advanced Functional Solid-State Materials}, volume = {252}, year = {2020}, month = {FEB}, pages = {114454}, type = {Article}, abstract = {

Chitosan and silver functionalized free standing reduced graphene oxide (rGO) films were prepared using simple soak and dry strategy. Redistribution of silver aggregates on chitosan functionalized rGO films were observed by thermally annealing these films at 450 degrees C, in an inert atmosphere. The re-organization / redistribution of silver aggregates in the rGO films were studied using in-situ Raman scattering signals. The redistribution of silver particles occurs through melting of micron sized silver aggregates during annealing. The rearrangement of the micro-sized silver aggregates to spherical silver nanoparticle on chitosan functionalized rGO film, as a result of temperature was assisted through factors such as graphene surface ripple rearrangement and the denaturation of rGO surface interacting chitosan chains. These free-standing films with redistributed silver nanoparticles showed excellent surface enhanced Raman scattering (SERS) effect with enhanced Raman signals for folic acid sensing, showcasing its potentiality to be utilized as flexible SERS based sensors.

}, keywords = {Free-standing, graphene oxide, sensing, SERS, silver nanoparticles, Thick-films}, issn = {0921-5107}, doi = {10.1016/j.mseb.2019.114454}, author = {Asha, S. and Ananth, A. Nimrodh and Jose, Sujin P. and Rajan, Michael Anjello Jothi} } @article {46770, title = {Template assisted synthesis of Ni,N co-doped porous carbon from Ni incorporated ZIF-8 frameworks for electrocatalytic oxygen reduction reaction}, journal = {New Journal of Chemistry}, volume = {44}, year = {2020}, month = {JUL }, pages = {12343-12354}, type = {Article}, abstract = {

A heteroatom doped porous carbon electrocatalyst with enhanced oxygen reduction reaction (ORR) performance in alkaline medium was obtained by high temperature treatment of Ni incorporated ZIF-8 frameworks and its composite with g-C(3)N(4)as a supporting matrix template. The morphology and porosity of this heteroatom containing carbon were tuned by varying the Ni : Zn molar ratio in Ni/Zn ZIF-8 and Ni/Zn ZIF-8@g-C(3)N(4)composites. The template aided synthetic strategy using g-C(3)N(4)helped in the controlled decomposition of composites leading to a heteroporous sheet like architecture with increased nitrogen content. The Ni/Zn ZIF-8 sample on heat treatment in the 800-1000 degrees C temperature range led to the formation of Ni,N co-doped porous carbon (Ni-NPC) with Ni-C active sites. The defective sites induced by nickel carbide along with the distributed N atoms on the carbon surface enabled active O(2)adsorption sites. The high surface area, high degree of graphitisation as well as the defects created by well dispersed N and Ni on porous carbon matrices favoured charge separation leading to higher electrochemical ORR activity. The Ni,N co-doped carbon catalyst in alkaline medium exhibited a limiting current density of 5.2 mA cm(-2)with a half-wave potential of 0.76 Vvs.RHE in 0.1 M KOH. The catalyst also showed improved methanol tolerance and better stability compared to the standard Pt/C catalyst.

}, issn = {1144-0546}, doi = {10.1039/d0nj01373k}, author = {Priya K., Vaishna and Thomas, Minju and Illathvalappil, Rajith and K., Shijina and Kurungot, Sreekumar and Nair, Balagopal N. and Mohamed, A. Peer and Anilkumar, Gopinathan M. and Yamaguchi, Takeo and Hareesh, U. S.} } @article {46741, title = {Terminal uridylyl transferase mediated site-directed access to clickable chromatin employing CRISPR-dCas9}, journal = {Journal of the American Chemical Society}, volume = {142}, year = {2020}, month = {AUG}, pages = {13954-13965}, type = {Article}, abstract = {

Locus-specific interrogation of target genes employing functional probes such as proteins and small molecules is paramount in decoding the molecular basis of gene function and designing tools to modulate its downstream effects. In this context, CRISPR-based gene editing and targeting technologies have proved tremendously useful, as they can be programmed to target any gene of interest by simply changing the sequence of the single guide RNA (sgRNA). Although these technologies are widely utilized in recruiting genetically encoded functional proteins, display of small molecules using CRISPR system is not well developed due to the lack of adequate techniques. Here, we have devised an innovative technology called sgRNA-Click (sgR-CLK) that harnesses the power of bioorthogonal click chemistry for remodeling guide RNA to display synthetic molecules on target genes. sgR-CLK employs a novel posttranscriptional chemoenzymatic labeling platform wherein a terminal uridylyl transferase (TUTase) was repurposed to generate clickable sgRNA of choice by site-specific tailoring of multiple azide-modified nucleotide analogues at the 3{\textquoteright} end. The presence of a minimally invasive azide handle assured that the sgRNAs are indeed functional. Notably, an azide-tailed sgRNA targeting the telomeric repeat served as a Trojan horse on the CRISPR-dCas9 system to guide synthetic tags (biotin) site-specifically on chromatin employing copper-catalyzed or strain-promoted click reactions. Taken together, sgR-CLK presents a significant advancement on the utility of bioorthogonal chemistry, TUTase, and the CRISPR toolbox, which could offer a simplified solution for site-directed display of small molecule probes and diagnostic tools on target genes.

}, issn = {0002-7863}, doi = {10.1021/jacs.0c06541}, author = {George, Jerrin Thomas and Azhar, Mohd and Aich, Meghali and Sinha, Dipanjali and Ambi, Uddhav B. and Maiti, Souvik and Chakraborty, Debojyoti and Srivatsan, Seergazhi G.} } @article {47022, title = {Theoretical study on cyclophane amide molecular receptors and its complexation behavior with TCNQ}, journal = {Journal of Photochemistry and Photobiology B-Biology}, volume = {203}, year = {2020}, month = {JAN}, pages = {111735}, type = {Article}, abstract = {

Complexation behavior of cyclophane amide molecular receptors towards 7,7,8,8-tetracyanoquinodimethane (TCNQ) studied. TD-B3LYP/6-31 + G(d,p) based density functional theory was employed to investigate the photophysical characteristics of the complexes obtained. Syn isomers of cyclophane amide molecular hosts show preferred conformation over other conformations. Molecular Orbital analysis indicates the electronic structure change, which reflects in the absorption spectra of the cyclophane amide-1@TCNQ, and cyclophane amide-2@TCNQ charge-transfer (CT) complexes. Binding energy studies with B3LYP-D3/6-31 + G (d,p) theory demonstrated that the more effective binding of the pyridine-2,6-dicarboxamide macrocycles than for their isophthalamide analogs. Both the CT complexes show intermolecular bifurcated hydrogen bonding (N-H-(host)center dot center dot center dot N-(guest)center dot center dot center dot H-N-(host)) interactions (2.06 to 2.08 angstrom), and pi((host))center dot center dot center dot pi((guest)) interactions (3.2 to 3.4 angstrom). Calculated BSSE corrected complexation energy (Delta E) be associated with the formation of the inclusion complexes in the range - 28 to similar to 37 kJ mol(-1), indicating spontaneity of host-guest complex formation in both the cases. From the calculated vibrational spectra of these complexes, the formation of inclusion complexes via N - H-(host)center dot center dot center dot N-(guest) and pi((host))center dot center dot center dot pi((guest)) intermolecular interactions established by the frequency shift in the N - H vibrations. Mulliken population analysis performed to recognize the CT process and the variation in charges between the free and complex TCNQ molecules suggests the intermolecular charge transfer. This study indicates that these cyclophane amides can be a decent CT complexation host for the guests like TCNQ.

}, keywords = {Absorption, Charge transfer complex, Cyclophane amides, Electrostatic potential surface, Host-guest, Molecular orbitals, Time-dependent density functional theory}, issn = {1011-1344}, doi = {10.1016/j.jphotobiol.2019.111735}, author = {Sundaram, Soma Sundaram Meenakshi and Karthick, Selvam and Sailaja, Krishnamurty and Karkuzhali, Rajendran and Gopu, Gopalakrishnan} } @article {46858, title = {Thermodynamic analysis and experimental validation of multi-composition ammonia liquor absorption engine cycle for power generation}, journal = {International Journal of Energy Research}, volume = {44}, year = {2020}, month = {DEC}, pages = {12430-12443}, type = {Article}, abstract = {

Energy conservation, utilization, and effective integration are of utmost importance for future sustenance. Accordingly, this work focuses on the generation of power from the low-grade temperature below 150 degrees C. A proposed novel multi-composition ammonia liquor absorption engine (MALAE) power cycle can be used toward the above purpose by supplying renewable energy obtained from low concentration type solar collectors. Proposed MALAE power cycle minimizes heal loss due to heat recovery and uses high purity NH3 vapors to expand through the isentropic turbine. MALAE power system is modeled and simulated using NH3-H2O as a working fluid for a reboiler temperature of 115 degrees C. The purpose of this work is to simulate the proposed MALAE power cycle with the distillation column and two solution heat exchanger (SHE). MALAE modeling and simulation is accomplished in SCILAB software. The simulation outcome is validated with the pilot-scale 5 kW experimental setup and validation showed +/- 5\% deviation. A comparison of MALAE cycle with published cycles signifies higher efficiency of MALAE cycle toward the utilization of low-grade energy from a temperature range of 100 degrees C to 150 degrees C. Finally, detailed parametric analysis of MALAE cycle efficiency is presented in terms of number of plates, distillation pressure and vapor flowrate, absorber temperature, pressure partial condenser temperature, and heat loads.

}, keywords = {absorption power cycle, ammonia water, low-temperature heat source, solar energy, Thermal Efficiency}, issn = {0363-907X}, doi = {10.1002/er.5463, Early Access Date = MAY 2020}, author = {Satpute, Satchidanand R. and Takalkar, Gorakshnath and Mali, Nilesh and Bhagwat, Sunil} } @article {46793, title = {TIAs pathway genes and associated miRNA identification in Vinca minor: supporting aspidosperma and eburnamine alkaloids linkage via transcriptomic analysis}, journal = {Physiology and Molecular Biology of Plants}, volume = {26}, year = {2020}, month = {AUG}, pages = {1695-1711}, type = {Article}, abstract = {

V. minorcontains monomeric eburnamine-type of indole alkaloids having utilization as a neuro-medicinal plant. The biosynthetic pathway studies using miRNAs has been the focal point for plant genomic research in recent years and this technique is utilized to get an insight into a possible pathway level study inV. minoras understanding of genes in this prized medicinal plant is meagrely understood. The de novo transcriptomic analysis using Illumina Next gen sequencing has been performed in glasshouse shifted plant and transformed roots to elucidate the possible non confirmed steps of terpenoid indole alkaloids (TIAs) pathway inV. minor. A putative TIA pathway is elucidated in the study including twelve possible TIAs biosynthetic genes. The specific miRNA associated with TIAs pathway were identified and their roles were discussed for the first time inV. minor. The comparative analysis of transcriptomic data of glasshouse shifted plant and transformed roots showed that the raw reads of transformed roots were higher (83,740,316) compared to glasshouse shifted plant (67,733,538). The EST-SSR prediction showed the maximum common repeats among glasshouse shifted plant and transformed roots, although small variation was found in trinucleotide repeats restricted to glasshouse shifted plant. The study reveals overall 37 miRNAs which were observed to be true and can have a role in pathway as they can regulate the growth and alkaloid production. The identification of putative pathway genes plays an important role in establishing linkage between Aspidosperma and Eburnamine alkaloids.

}, keywords = {de novo transcriptomic analysis, EST-SSR, miRNA, Terpenoid indole alkaloids, Vinca minor}, issn = {0971-5894}, doi = {10.1007/s12298-020-00842-x, Early Access Date = JUL 2020}, author = {Verma, Priyanka and Singh, Noopur and Khan, Shamshad Ahmad and Mathur, Ajay Kumar and Sharma, Ashok and Jamal, Farrukh} } @article {47336, title = {Time: a web application for obtaining insights into microbial ecology using longitudinal microbiome data (vol 9, 36, 2018)}, journal = {Frontiers in Microbiology}, volume = {11}, year = {2020}, month = {NOV}, pages = {605295}, type = {Correction}, keywords = {clustering, community state, Granger causality algorithm, Microbiome, time series, visualization, Web server}, issn = {1664-302X}, doi = {10.3389/fmicb.2020.605295}, author = {Baksi, Krishanu D. and Kuntal, Bhusan K. and Mande, Sharmila S.} } @article {46950, title = {TiO2 nanoparticles decorated on BiOCl flakes with enhanced visible light photocatalytic activity}, journal = {ChemistrySelect}, volume = {5}, year = {2020}, month = {FEB }, pages = {2618-2626}, type = {Article}, abstract = {

Facile preparation route for BiOCl and BiOCl/TiO2 nanocomposites with TiO2 nanoparticles decorated on BiOCl flakes via solution combustion method is reported in the present paper. Structural, textural and optical properties of the prepared materials are extensively studied using various physicochemical characterization tools such as X-ray diffraction (XRD), field-emission scanning electron microscopy (FE-SEM), transmission electron microscopy (TEM), UV-vis spectroscopy (DRS), N-2 adsorption-desorption study (BET), photoluminescence spectroscopy (PL), etc. BiOCl/TiO2 nanocomposites show a red shift in the light absorption as compared to that of bare BiOCl which leads to the extended absorption in visible light region. Further photocatalytic experiments for Rhodamine B and phenol degradation demonstrate that the BiOCl/TiO2 nanocomposites have superior photocatalytic properties than bare BiOCl. Improved photocatalytic performance of BiOCl/TiO2 composites is attributed to the synergistic effect between BiOCl flakes and TiO2 nanoparticles, extended visible light absorption and delayed charge recombination.

}, keywords = {BiOCl, Hydoxyl radical evaluation, p-n heterojunction, phenol degradation, Photocatalysis, TiO2 nanocomposites}, issn = {2365-6549}, doi = {10.1002/slct.201904656}, author = {Shinde, Deepali S. and Bhange, Pallavi D. and Jha, Ratnesh K. and Bhange, Deu S.} } @article {46737, title = {TiO2-based water-tolerant acid catalysis for biomass-based fuels and chemicals}, journal = {ACS Catalysis}, volume = {10}, year = {2020}, month = {AUG}, pages = {9555-9584}, type = {Review}, abstract = {

Solid acid catalysts alone or in combination with redox metals play a pivotal role in biomass valorization to obtain alternative fuels and chemicals. In acid-catalyzed biomass conversions, water is a key reagent/byproduct that can induce leaching/poisoning of catalyst{\textquoteright}s acid species, a major problem toward catalyst recyclability and product purification. Thus, developing efficient water-tolerant solid acid catalysts is vital for viable biomass valorization. TiO2 is considered to be a promising water-tolerant solid acid catalyst for biomass conversions because of the presence of coordinatively unsaturated Ti4+ sites, which are robust and less prone to leaching in the aqueous medium. Besides, the synergistic combination of TiO2 with redox metals (Ru, Pd, Ni, Cu, etc.) provides abundant bifunctional acid-redox sites, which exhibit a favorable catalytic role in the deoxygenation of biomass molecules to practically useful hydrocarbons. Therefore, this review provides an overview of recent progress toward TiO2-based water-tolerant acid catalysis for biomass conversion, with a focus on hydrothermal stability of TiO2, its acidity, and catalysts{\textquoteright} synthesis methods. Various biomass conversions over TiO2-based catalysts, where water-tolerant acid sites or acid-redox dual sites show a significant catalytic effect, were discussed. Structure-activity relationships based on water-tolerant Lewis acidity of TiO2 were emphasized. We believe that this review will provide valuable information for developing efficient water-tolerant solid acid catalysts not only for biomass valorization but also for other challenging reactions in the aqueous medium.

}, keywords = {Acid catalysis, acid-redox catalysis, Biomass conversion, renewable fuels and chemicals, TiO2-based catalysts, water-tolerant Lewis acidity}, issn = {2155-5435}, doi = {10.1021/acscatal.0c01680}, author = {Sudarsanam, Putla and Li, Hu and Sagar, Tatiparthi Vikram} } @article {47008, title = {Ti-superoxide catalyzed oxidative amidation of aldehydes with saccharin as nitrogen source: synthesis of primary amides}, journal = {RSC Advances}, volume = {10}, year = {2020}, month = {JAN}, pages = {724-728}, type = {Article}, abstract = {

A new heterogeneous catalytic system (Ti-superoxide/saccharin/TBHP) has been developed that efficiently catalyzes oxidative amidation of aldehydes to produce various primary amides. The protocol employs saccharin as amine source and was found to tolerate a wide range of substrates with different functional groups. Moderate to excellent yields, catalyst reusability and operational simplicity are the main highlights. A possible mechanism and the role of the catalyst in oxidative amidation have also been discussed.

}, doi = {10.1039/c9ra10413e}, author = {Kamble, Rohit B. and Mane, Kishor D. and Rupanawar, Bapurao D. and Korekar, Pranjal and Sudalai, A. and Suryavanshi, Gurunath} } @article {46631, title = {Total synthesis and absolute configuration determination of Ktedonoketone, a benzenoid metabolite from Thermophilic bacterium}, journal = {Tetrahedron Letters}, volume = {61}, year = {2020}, month = {NOV }, pages = {152526}, type = {Article}, abstract = {

The successful total synthesis of both enantiomers of ktedonoketone allowed us to decipher an unambiguous assignment of absolute configuration of the natural product. The concise synthesis highlights Wacker oxidation and aldol condensation as key steps. In addition to this, the current synthetic route is suitable to access a library of compounds on the similar skeleton as one can use readily available amino acids and Grignard reagents as variants. (C) 2020 Elsevier Ltd. All rights reserved.

}, keywords = {Absolute configuration, Ktedonoketone, Total synthesis, Wacker oxidation}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2020.152526}, author = {Dandawate, Monica and Choudhury, Rahul and Krishna, Gamidi Rama and Reddy, D. Srinivasa} } @article {46795, title = {Total synthesis of (-)-2-methoxy-2-butenolide-3-cinnamate and its antimicrobial potentials}, journal = {Natural Product Research}, year = {2020}, month = {JUL}, type = {Article; Early Access 2020}, abstract = {

The first total synthesis of (-)-2-methoxy-2-butenolide-3-cinnamate (butenolide cinnamate) was achieved using commercially available starting material. The synthesized compound was found to have promising antibacterial activity against Gram-negative strainsEscherichia coli(ATCC 8739),Salmonella typhimurium(ATCC 23564) andPseudomonas aeruginosa(ATCC 19154) with a minimum inhibitory concentration of 2.0 mu g/mL, 1.0 mu g/mL and 2.0 mu g/mL, respectively. Notably, the compound was more potent against Gram-negative test strains than the Gram-positive test strains.

}, keywords = {antibacterial activity, butenolide cinnamate, Total synthesis}, issn = {1478-6419}, doi = {10.1080/14786419.2020.1789979, Early Access Date = JUL 2020}, author = {Said, Madhukar S. and Udavant, Rohini and Sahu, Amit Kumar and Khan, Abujunaid and Nayak, Rashmi and Dastager, Syed G. and Kumar, Pradeep and Gajbhiye, Jayant} } @article {46650, title = {Total synthesis of beshanzuenone D and its epimers and abiespiroside A}, journal = {Organic Letters}, volume = {22}, year = {2020}, month = {NOV }, pages = {8561-8565}, type = {Article}, abstract = {

A unified and protecting-group-free six-step total synthesis of bisabolane-type sesquiterpenoid beshanzuenone D and its stereoisomers and abiespiroside A using S-(+)-carvone as a common chiral-pool building block is disclosed. This synthetic route features chemoselective allylic chlorination of carvone, Au(I)-catalyzed cydoisomerization induced construction of furan from homopropargylic diol, substrate-controlled selective hydroxylation using Davis-oxaziridine, and dye-sensitized photo-oxidation (through O-1(2)) of hydroxyalkyl tethered furan to access oxaspirolactone as key transformations. A comprehensive set of NMR data along with DFT calculations, ECD spectra, and optical rotation measurements of the synthesized beshanzuenone D and its epimers were obtained to confirm absolute configurations.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.0c03157}, author = {Borade, Balasaheb R. and Dixit, Ruchi and Kontham, Ravindar} } @article {46687, title = {Total synthesis of (+)-petromyroxol, (-)-iso-petromyroxol, and possible diastereomers}, journal = {ACS Omega}, volume = {5}, year = {2020}, month = {OCT }, pages = {25334-25348}, type = {Article}, abstract = {

The total synthesis of (+)-petromyroxol (1) and its seven diastereomers including the ()-tso-petromyroxol (2) is described. The employed strategy involves the use of easily available CS-epimeric epoxides 5 and 5{\textquoteright} and nonselective anomeric C1-allylation, proceeding with or without inversion at C2 thereby giving the possibility of synthesizing all possible diastereomers. Extensive two-dimensional (2D) NMR analyses of all eight diastereomers have been carried out to assign the chemical shifts of the central carbons land the corresponding attached hydrogens and to learn how the C/H-chemical shifts of the tetrahydrofuran ring were influenced by the adjacent centers.

}, issn = {2470-1343}, doi = {10.1021/acsomega.0c03674}, author = {Mullapudi, Venkannababu and Ahmad, Iram and Senapati, Sibadatta and Ramana, V, Chepuri} } @article {46962, title = {Total synthesis of (+)-petromyroxol (vol 56, pg 3933, 2015)}, journal = {Tetrahedron Letters}, volume = {61}, year = {2020}, month = {FEB }, pages = {151420}, type = {Correction}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2019.151420}, author = {Mullapudi, Venkannababu and Ramana, Chepuri V.} } @article {46957, title = {Towards in situ continuous feeding via controlled release of complete nutrients for fed-batch culture of animal cells}, journal = {Biochemical Engineering Journal}, volume = {154}, year = {2020}, month = {FEB }, pages = {107436}, type = {Article}, abstract = {

Small-scale culture of animal cells in suspension is of importance for many applications. At a small-scale, fed-batch is achieved either by manual bolus feeding or the use of liquid handling robots. In this study, we report an alternate application of a hydrogel for in situ continuous delivery of a nutrient feed comprising 18 amino acids, vitamins, antioxidants, and trace elements. We show that amino acid release is sustained for at least seven days. Importantly, release rates of individual amino acids can be independently modulated by changing their loading. We demonstrate the application of this hydrogel for complete in situ feeding of nutrients to a suspension adapted CHO cell line expressing IgG leading to 2.7-fold and 4-fold improvement in integral viable cell density (IVCD) and volumetric productivity respectively. This is similar to improvements obtained by bolus liquid feeding. Further, supplying glucose from the same hydrogel to eliminate manual feeding led to a 1.8-fold increase in IVCD accompanied by a 3-fold increase in volumetric productivity as compared to batch culture. In summary, this study provides a proof-of-concept that hydrogels can enable completely closed in situ feeding for mammalian cell culture requiring no external intervention. Such continuous in situ delivery can potentially enable closed culture systems maintaining nutrients at low levels mimicking physiological concentrations.

}, keywords = {Amino acids, CHO cells, Closed system, Fed-batch, Hydrogel for continuous feeding, In situ nutrient release}, issn = {1369-703X}, doi = {10.1016/j.bej.2019.107436}, author = {Rawat, Jyoti and Gadgil, Mugdha} } @article {46692, title = {Towards lignin-derived chemicals using atom-efficient catalytic routes}, journal = {Trends in Chemistry}, volume = {2}, year = {2020}, month = {OCT}, pages = {898-913}, type = {Review}, abstract = {

Lignin is a potential non-fossil resource of diverse functionalized phenolic units. The most important lignin- derived monomers are 4-alkylphenols, 4- hydroxybenzaldehydes, 4-hydroxybenzoic acids, and 4-hydroxycinnamic acids/esters. Efficient transformation of lignin and/or its monomers into valuable aromatics and their derivatives is crucial, not only for a sustainable lignocellulose biorefinery, but also to reduce our dependence on fossil feedstocks. This review provides a concise account of the recent advances in lignocellulose fractionation/lignin depolymerization processes towards lignin-derived monomers. Subsequently, numerous potential atom-efficient catalytic routes for upgrading lignin monomers into drop-in chemicals and new polymer building blocks are discussed.

}, doi = {10.1016/j.trechm.2020.07.011}, author = {Sudarsanam, Putla and Ruijten, Dieter and Liao, Yuhe and Renders, Tom and Koelewijn, Steven-Friso and Sels, Bert F.} } @article {46860, title = {Transient alpha-helix in the N-terminal RNA recognition motif of polypyrimidine tract binding protein senses RNA secondary structure}, journal = {Nucleic Acids Research}, volume = {48}, year = {2020}, month = {MAY}, pages = {4521-4537}, type = {Article}, abstract = {

The polypyrimidine tract binding protein (PTB) is a multi-domain protein involved in alternative splicing, mRNA localization, stabilization, polyadenylation and translation initiation from internal ribosome entry sites (IRES). In this latter process, PTB promotes viral translation by interacting extensively with complex structured regions in the 5{\textquoteright}-untranslated regions of viral RNAs at pyrimidine-rich targets located in single strand and hairpin regions. To better understand how PTB recognizes structured elements in RNA targets, we solved the solution structure of the N-terminal RNA recognition motif (RRM) in complex with an RNA hairpin embedding the loop sequence UCUUU, which is frequently found in IRESs of the picornovirus family. Surprisingly, a new three-turn alpha 3 helix C-terminal to the RRM, folds upon binding the RNA hairpin. Although alpha 3 does not mediate any contacts to the RNA, it acts as a sensor of RNA secondary structure, suggesting a role for RRM1 in detecting pyrimidine tracts in the context of structured RNA. Moreover, the degree of helix formation depends on the RNA loop sequence. Finally, we show that the alpha 3 helix region, which is highly conserved in vertebrates, is crucial for PTB function in enhancing Encephalomyocarditis virus IRES activity.

}, issn = {0305-1048}, doi = {10.1093/nar/gkaa155}, author = {Maris, Christophe and Jayne, Sandrine and Damberger, Fred F. and Beusch, Irene and Dorn, Georg and Ravindranathan, Sapna and Allain, Frederic H-T} } @article {46759, title = {Transition metal nickel prevents Tau aggregation in Alzheimer{\textquoteright}s disease}, journal = {International Journal of Biological Macromolecules}, volume = {156}, year = {2020}, month = {AUG }, pages = {1359-1365}, type = {Article}, abstract = {

Alzheimer{\textquoteright}s disease is the leading cause of dementia, effecting majority of aged people worldwide. The multifaceted effectors of Alzheimer{\textquoteright}s disease primarily include Tau, amyloid-beta along with hyper activation of kinases, oxidative stress and mutations etc., makes it challenging to design therapeutics. Tau is a microtubule-associating protein, which is subjected to cellular stress resulting in the formation of neurofibrillary tangles, leading to loss of affinity for microtubules. This causes loss of microtubule stability and in turn alters axonal integrity. In the present work, emphasis towards understanding interaction of nickel with Tau was made. Metals such as iron, zinc, copper and lead etc., are known to modulate Tau conformation and enhance its aggregation. Our results showed the deliverance of Tau aggregation by nickel and its synthetic morpholine conjugate. Nickel prevents aggregation by inducing degradation of Tau as evidenced by SDS-PAGE and TEM. Nickel and the synthetic conjugate being non toxic to neuro2a cells and prevent Tau aggregation, might direct these complexes to overcome AD. (C) 2019 Published by Elsevier B.V.

}, keywords = {Aggregation, Alzheimer{\textquoteright}s disease, metals, Morpholine, Nickel chloride, Tau}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2019.11.176}, author = {Gorantla, Nalini Vijay and Das, Rashmi and Balaraman, Ekambaram and Chinnathambi, Subashchandrabose} } @article {46910, title = {Transmetallation vs adduct: diverse reactivity of N,O-ketiminato germylene with [Cp*MCl2](2) (M = Rh or Ir; Cp* = eta(5)-C5Me5) and MCl5 (M = Nb and Ta)}, journal = {Journal of Organometallic Chemistry}, volume = {911}, year = {2020}, month = {APR }, pages = {121142}, type = {Article}, abstract = {

The reactions of the germylenes, [(Dipp)NCMeCHCORGeCl] (1a: R = Me, 1b: R = Ph) with [Ir2Cl2(mu-Cl)(2)(eta(5)-Cp*)(2)] led to the formation of the adducts [(Dipp)NCMeCHCORGeClIrCl2Cp*] (3a: R = Me and 3b: R = Ph). On the other hand, [Rh2Cl2(mu-Cl)(2)(eta(5)-Cp*)(2)] does not react with the germylenes (1a and 1b). When the reactions of 1a and 1b are carried out with [Cp*TaCl4], the reaction led to decomposition. The reaction of 1a or 1b with TaCl5 yielded the transmetallated products [(Dipp)NCMeCHCORTaCl4] (4a: R = Me, 4b: R = Ph) with the extrusion of GeCl2. Our theoretical studies show that for, the insertion of TaCl5 to 1a and the formation of 4a with concomitant elimination of GeCl2 is energetically favourable. Extrusion of SnCl2 is also observed when the corresponding stannylene, [(Dipp)NCMeCHCOMeSnCl] was reacted with TaCl5. All these compounds have been characterized by H-1 and C-13 NMR spectroscopy, elemental analysis and the constitution of compounds 1b, 3b, and 4a were confirmed by single-crystal X-ray crystallography. (C) 2020 Elsevier B.V. All rights reserved.

}, keywords = {Adduct formation, Germylenes, Iridium, Ketoiminate, Tantalum, Transmetallation}, issn = {0022-328X}, doi = {10.1016/j.jorganchem.2020.121142}, author = {Raghavendra, Beesam and Bakthavachalam, K. and Das, Tamal and Roisnel, Thierry and Sen, Sakya S. and Vanka, Kumar and Ghosh, Sundargopal} } @article {46862, title = {Trending methods employed for polymerization induced self-assembly}, journal = {New Journal of Chemistry}, volume = {44}, year = {2020}, month = {MAY }, pages = {6690-6698}, type = {Review}, abstract = {

Mother Nature produces a perfectly defined architecture that inspires researchers to make polymeric macromolecules for an array of functions. Preparation of a pre-defined polymer architecture is a key challenge to a researcher. The present article describes the recent development in Polymerization Induced Self-Assembly (PISA) to synthesize polymeric nanoparticles with pre-defined morphology and precise control over size and shape. This methodology has become a potential strategy for the synthesis of various block copolymer nano-objects. The PISA strategy produces core-shell polymeric nanoparticles with a wide scope of morphologies including spheres, worms, rods, and vesicles. A few parameters including the degree of polymerization, core-forming monomers, macro-CTA and solid content of the final product are precisely employed for the PISA procedure to accomplish the ideal size and shape. PISA opens a new avenue for the production of polymeric nano-objects.

}, issn = {1144-0546}, doi = {10.1039/c9nj05638f}, author = {Mane, Shivshankar R.} } @article {46886, title = {Triazine-based organic polymer-catalysed conversion of epoxide to cyclic carbonate under ambient CO2 pressure}, journal = {Chemistry-An Asian Journal}, volume = {15}, year = {2020}, month = {JUN }, pages = {1683-1687}, type = {Article}, abstract = {

In this work we have achieved epoxide to cyclic carbonate conversion using a metal-free polymeric catalyst under ambient CO2 pressure (1.02 atm) using a balloon setup. The triazine containing polymer (CYA-ANIS) was prepared from cyanuric chloride (CYA-Cl) and o-dianisidine (ANIS) in anhydrous DMF as solvent by refluxing under the N-2 gas environment. The presence of triazine and amine functional groups in the polymer results in the adsorption of CO2 up to 7 cc/g at 273 K. This inspired us to utilize the polymer for the conversion of a series of functionalised epoxides into their corresponding cyclic carbonates in the presence of tetrabutyl ammonium iodide (TBAI) as co-catalyst. The product has wide range of applications like solvent in lithium ion battery, precursor for polycarbonate, etc. The catalyst was efficient for the conversion of different mono and di-epoxides into their corresponding cyclic carbonates under atmospheric pressure in the presence of TBAI as co-catalyst. The study indicates that epoxide attached with electron withdrawing groups (like, CH2Cl, glycidyl ether, etc.) displayed better conversion compared to simple alkane chain attached epoxides. This is mainly due to the stabilization of electron rich intermediates produced during the reaction (e. g. epoxide ring opening or CO2 incorporation into the halo-alkoxide anion). This catalyst mixture was capable to maintain its reactivity up to five cycles without losing its activity. Post catalytic characterization clearly supports the heterogeneous and recyclable nature of the catalyst.

}, keywords = {CO2 fixation, cyclic carbonates, epoxides, Heterogeneouscatalyst, metal free catalyst, Triazinepolymer}, issn = {1861-4728}, doi = {10.1002/asia.201901277, Early Access Date = APR 2020}, author = {Biswas, Tanmoy and Halder, Arjun and Paliwal, Khusboo S. and Mitra, Antarip and Tudu, Gouri and Banerjee, Rahul and Mahalingam, Venkataramanan} } @article {46811, title = {Triethyl phosphite/benzoyl peroxide mediated reductive dealkylation of O-benzoylhydroxylamines: a cascade synthesis of secondary amides}, journal = {European Journal of Organic Chemistry}, volume = {2020}, year = {2020}, month = {JUL}, pages = {4235-4238}, type = {Article}, abstract = {

A new triethyl phosphite/benzoyl peroxide (BPO) mediated system has been developed for the synthesis of secondary amides with good to excellent yields in a single step. This unprecedented cascade process involves sequential reduction of N-O bond and benzoylation followed by dealkylation of N-C bond ofO-benzoylhydroxylamines (O-BHA). The methodology is versatile as it tolerates a variety of aromatic and aliphaticO-BHA as substrates to access secondary amides.

}, keywords = {Amides, Cascade reactions, O-Benzoylhydroxylamines, Redox reactions, synthetic methods}, issn = {1434-193X}, doi = {10.1002/ejoc.202000611, Early Access Date = JUN 2020}, author = {Aegurla, Balakrishna and Mandle, Ram D. and Shinde, Prasad G. and Parit, Ratan S. and Kamble, Sanjay P. and Sudalai, Arumugam and Senthilkumar, Beeran} } @article {46982, title = {Tris-heteroleptic ruthenium(II) polypyridyl complexes: Synthesis, structural characterization, photophysical, electrochemistry and biological properties}, journal = {Journal of Inorganic Biochemistry}, volume = {203}, year = {2020}, month = {FEB}, pages = {110903}, type = {Article}, abstract = {

{Three water-soluble tris-heteroleptic ruthenium(II) polypyridyl complexes [Ru(bpy)(phen)(bpg)](2+) (1), [Ru (bpy)(dppz)(bpg)]2+ (2), and [Ru(phen)(dppz)(bpg)]2+ (3) (where bpy = 2,2{\textquoteright}-bipyridine

}, keywords = {Circular dichroism, Cytotoxicity, fluorescence, Polypyridyl, ruthenium}, issn = {0162-0134}, doi = {10.1016/j.jinorgbio.2019.110903}, author = {Bhat, Satish S. and Kumbhar, Avinash S. and Purandare, Neeraja and Khan, Ayesha and Grampp, Gunter and Loennecke, Peter and Hey-Hawkins, Evamarie and Dixit, Ruchi and Vanka, Kumar} } @article {46708, title = {Triton X-114 fractionated subcellular proteome ofleptospira interrogansshows selective enrichment of pathogenic and outer membrane proteins in the detergent fraction}, journal = {Proteomics}, volume = {20}, year = {2020}, month = {OCT}, pages = {2000170}, type = {Article}, abstract = {

The Triton X-114-based solubilization and temperature-dependent phase separation of proteins is used for subcellular fractionation where, aqueous, detergent, and pellet fractions represents cytoplasmic, outer membrane (OM), and inner membrane proteins, respectively. Mass spectrometry-based proteomic analysis of Triton X-114 fractions of proteomic analysis ofLeptospira interrogansidentified 2957 unique proteins distributed across the fractions. The results are compared with bioinformatics predictions on their subcellular localization and pathogenic nature. Analysis of the distribution of proteins across the Triton X-114 fractions with the predicted characteristics is performed based on {\textquoteleft}{\textquoteleft}number{\textquoteright}{\textquoteright} of unique type of proteins, and {\textquoteleft}{\textquoteleft}quantity{\textquoteright}{\textquoteright} which represents the amount of unique protein. The highest number of predicted outer membrane proteins (OMPs) and pathogenic proteins are found in aqueous and pellet fractions, whereas detergent fraction representing the OM has the highest quantity of OMPs and pathogenic proteins though lower in number than the aqueous and pellet fractions. This leaves the possibility of an upsurge in pathogenic proteins and OMPs on the OM under pathogenic conditions suggesting their potential use to combat leptospirosis. Further, the Triton X-114 subcellular fractions are more correlated to enrichment of pathogenic proteins predicted by MP3 software than predicted localization.

}, keywords = {intensity-based absolute quantification, Leptospira, outer membrane protein, subcellular localization, Triton X-114}, issn = {1615-9853}, doi = {10.1002/pmic.202000170, Early Access Date = SEP 2020}, author = {Thoduvayil, Sikha and Dhandapani, Gunasekaran and Brahma, Rahul and Devasahayam Arokia Balaya, Rex and Mangalaparthi, Kiran K. and Patel, Krishna and Kumar, Manish and Tennyson, Jebasingh and Satheeshkumar, P. K. and Kulkarni, Mahesh J. and Pinto, Sneha M. and Prasad, T. S. Keshava and Madanan, Madathiparambil G.} } @article {46944, title = {Tunable light emission from chemical vapor deposited two-dimensional MoSe2 by layer variation and S incorporation}, journal = {Journal of Vacuum Science \& Technology A}, volume = {38}, year = {2020}, month = {MAR}, pages = {023402}, type = {Article}, abstract = {

Mono- and few-layer thick MoSe2 and MoSxSe2-x domains were grown on insulating SiO2/Si substrates by chemical vapor deposition. Scanning electron microscopy and optical contrast images were used to determine the domain size and morphology. The structure, crystallinity, and the thickness (number of layers) of the as-synthesized domains were determined from Raman spectroscopy. The light emission was determined from photoluminescence (PL) spectroscopy. The PL emission started appearing only in domains having four layers or less, with the intensity increasing as the number of layers decreased. The PL peak position varied between 1.48eV (similar to 838nm) for four layers to 1.55eV (similar to 800nm) in the monolayer limit. Sulfur incorporation was done to enable a further tunability of the bandgap. The monolayer bandgap changed from 1.55eV for MoSe2 to 1.64eV (similar to 756nm) for MoS0.32Se0.68. The other effect of S incorporation was the formation of larger area domains in the alloy as compared to binary MoSe2 with an improvement in the structural properties, thus providing a pathway to improve the properties of two-dimensional semiconductors by mixing of two materials with similar atomic arrangements.

}, issn = {0734-2101}, doi = {10.1116/1.5124998}, author = {Singh, Vineeta and Late, Dattatray J. and Rath, Shyama} } @article {46984, title = {Tuning phosphorescence features of triphenylamines by varying functional groups and intermolecular interactions}, journal = {Dyes and Pigments}, volume = {173}, year = {2020}, month = {FEB}, pages = {107931}, type = {Article}, abstract = {

Organic room temperature phosphorescent materials are known for their synthetic feasibility, tunable phosphorescence wavelength and lifetime, etc. Hence new design strategies have been applied on various fluorophores to improve phosphorescence features. Among those, triphenylamines are phosphorescence active due to the presence of nitrogen atom, propeller molecular structure, and intermolecular interactions in the crystal state. Here we have studied the room temperature phosphorescence of a series of triphenylamines with various functional groups. Detailed studies have shown that the phosphorescence can be fine-tuned by functional group modification. A long phosphorescence lifetime around 100 ms at room temperature in air can be achieved by the interplay of intermolecular interactions, singlet-triplet energy gap and extent of intersystem crossing using functional group variation. Interestingly, an exciplex assisted ultralong phosphorescence lifetime (more than 20 times) is observed for a combination of triphenylamine and naphthalenemonoimide in air.

}, keywords = {Exciplex, fluorescence, Phosphorescence, triphenylamine}, issn = {0143-7208}, doi = {10.1016/j.dyepig.2019.107931}, author = {Goudappagouda and Asokan, Kiran and Nayak, Rashmi and Krishnan, Retheesh and Babu, Sukumaran Santhosh} } @article {46771, title = {Tweaking palladium electronic structure to attain oxygen reduction activity superior to platinum/C}, journal = {ACS Applied Energy Materials}, volume = {3}, year = {2020}, month = {JUL}, pages = {6127-6132}, type = {Article}, abstract = {

Enhancing oxygen reduction (ORR) activity through alloying is crucial to improve the performance of a fuel-cell catalysts. In this work, we have studied the alloying effects of 4f rare-earth (RE) metals with palladium. The modified catalyst exhibits better activity (E-onset = 1 V and E-1/2 = 0.88 V) and higher selectivity toward H2O (similar to 97\%) compared to the state-of-the-art catalysts due to complete dissociation of O-2. Hirshfeld charge analysis and 2D-electron localization function reveal improved adsorbate-adsorbent interaction on the catalyst surface. This work paves a strategy to design highly selective non-Pt-based catalysts for the ORR by controlling electronic structures and surface oxide formation.

}, keywords = {d-band center, DFT calculation, durability, EuPd, oxygen reduction reaction, YbPd}, issn = {2574-0962}, doi = {10.1021/acsaem.0c01241}, author = {Sarma, Saurav Ch. and Kaja, Sai Manoj and Mishra, Vidyanshu and Vinod, Chathakudath Prabhakaran and Peter, Sebastian C.} } @article {47597, title = {Tandem acceptorless dehydrogenative coupling-decyanation under nickel catalysis}, journal = {Journal of Organic Chemistry}, volume = {86}, year = {2021}, month = {JUN}, pages = {7552-7562}, type = {Article}, abstract = {The development of new catalytic processes based on abundantly available starting materials by cheap metals is always a fascinating task and marks an important transition in the chemical industry. Herein, a nickel-catalyzed acceptorless dehydrogenative coupling of alcohols with nitriles followed by decyanation of nitriles to access diversely substituted olefins is reported. This unprecedented C=C bond-forming methodology takes place in a tandem manner with the formation of formamide as a sole byproduct. The significant advantages of this strategy are the low-cost nickel catalyst, good functional group compatibility (ether, thioether, halo, cyano, ester, amino, N/O/S heterocycles; 43 examples), synthetic convenience, and high reaction selectivity and efficiency.}, issn = {0022-3263}, doi = {10.1021/acs.joc.1c00592}, author = {Midya, Siba P. and Subaramanian, Murugan and Babu, Reshma and Yadav, Vinita and Balaraman, Ekambaram} } @article {47629, title = {Thermal stability of an endohedrally doped aluminum nanoclusters: a BOMD study}, journal = {Theoretical Chemistry Accounts}, volume = {140}, year = {2021}, month = {SEP}, pages = {132}, type = {Article}, abstract = {In this article, thermal stability of doped Al-13 nanoclusters has been systematically investigated within the framework of density functional theory (DFT). To explain thermal stability, simulations have been carried out over a temperature range from 300 to 1100 K using Born-Oppenheimer molecular dynamics (BOMD). The atomic displacements have been quantified by calculating delta(rms,) MSD and epsilon(pro.) The thermal stability of different clusters is explained using underlined electronic properties such as HOMO-LUMO, charges and bond length.}, keywords = {BOMD, Bond length fluctuations, Endohedral doping, Mean squared ionic displacements (MSD), Nanoclusters, Root mean squared}, issn = {1432-881X}, doi = {10.1007/s00214-021-02829-7}, author = {Singh, Chandrodai Pratap and Samal, Pragnya Paramita and Krishnamurty, Sailaja} } @article {47690, title = {Three in one: triple G-C-T base-coded brahma nucleobase amino acid: synthesis, peptide formation, and structural features}, journal = {Journal of Organic Chemistry}, volume = {86}, year = {2021}, month = {NOV }, pages = {15689-15694}, type = {Article}, abstract = {This note reports the synthesis and peptide formation of a novel triple G-C-T nucleobase amino acid (NBA) building block featuring three recognition faces: DDA (G mimic), DAA (C mimic), and ADA (T mimic). Readily obtainable in multigram scale in a remarkably easy one-step reaction, this unique NBA building block offers scope for wide ranging applications for nucleic acid recognition and nucleic acid peptide/protein interaction studies.}, issn = {0022-3263}, doi = {10.1021/acs.joc.1c01228}, author = {Wagh, Mahendra A. and Maity, Rahul and Bhosale, Rohit J. and Semwal, Divyam and Tothadi, Srinu and Vaidhyanathan, Ramanathan and Sanjayan, Gangadhar J.} } @article {47672, title = {Total synthesis of a hypothetical macroketone of migrastatin}, journal = {European Journal of Organic Chemistry}, volume = {2021}, year = {2021}, month = {JUN }, pages = {3050-3053}, type = {Article}, abstract = {Danishefsky{\textquoteright}s macroketone, a simplified analogue of natural product Migrastatin, is one of the lead compounds with potent cancer cell migration inhibition potential. Different biological assays suggest fascin protein as the potential target. Although it was indicated through X-ray co-crystallography where the concerned macroketone analogue was found to bind in the actin-binding sites of fascin, there was a structural discrepancy, as the X-ray co-crystal structure suggested an E-olefin along with inversion of methyl stereochemistry from that of Danishefsky{\textquoteright}s macroketone. Here, we have accomplished the total synthesis of the {\textquoteleft}hypothetical macroketone{\textquoteright} for the first time. The TiCl4 mediated vinylogous Mukaiyama aldol reaction is the key step in present synthesis.}, keywords = {Hypothetical mecroketon, Metastasis, Migrastatin, RCM, vinylogous Mukaiyama aldol reaction (VMAR)}, issn = {1434-193X}, doi = {10.1002/ejoc.202100484}, author = {Choudhury, Rahul and Reddy, D. Srinivasa} } @article {47705, title = {Total synthesis of the pseudoindoxyl class of natural products}, journal = {Organic \& Biomolecular Chemistry}, volume = {19}, year = {2021}, month = {OCT}, pages = {7970-7994}, type = {Review}, abstract = {The pseudoindoxyl sub-structural motif, amongst the large set of the indole class of alkaloids, represents a unique subset of the oxygenated indole class of the alkaloid family. A majority of this class of natural products contains complex bridged/polycyclic scaffolds with interesting biological profiles. They are thus attractive synthetic targets. Starting from 1963, twenty-eight natural products having the pseudoindoxyl scaffold have been isolated, among which the synthesis of 13 natural products has been accomplished. In this review, we highlight the completed as well as the formal total synthesis of the natural products with a spiro-pseudoindoxyl ring, with a focus on their development. The challenges and the future perspective based on the recent developments in the field will also be discussed. We strongly believe that this review will not only update but also attract the attention of researchers in dealing with the synthesis of pseudoindoxyl compounds.}, issn = {1477-0520}, doi = {10.1039/d1ob01285a}, author = {Dhote, Pawan S. and Patel, Pitambar and Vanka, Kumar and Ramana, Chepuri V.} } @article {47402, title = {Total synthesis of twelve membered resorcyclic acid lactones, (R)-penicimenolide A, (R)-resorcyclide and (R)-dihydroresorcyclide}, journal = {Tetrahedron}, volume = {85}, year = {2021}, month = {APR}, pages = {132059}, type = {Article}, abstract = {

Resorcyclic Acid Lactones or RALs are a class of fungal secondary polyketides isolated from a variety of fungal strains like Lasiodiplodia theobromae, Penicillium sp., Syncephalastrum racemosum etc. This class of macrocyclic lactones are found to exhibit a broad spectrum of biological activities and are of significant synthetic importance. Herein, we report the first total synthesis of (R)-penicimenolide A, twelve membered RAL (RAL12) isolated from Penicillium sp. (NO. SYP-F-7919). Besides, we also report the total synthesis of two other members, namely, (R)-trans-resorcyclide and (R)-dihydroresorcyclide. In the course of synthesis, we have utilized ring closing metathesis (RCM) as the key step in constructing the core macrolactone scaffold. (C) 2021 Elsevier Ltd. All rights reserved.

}, keywords = {Macrocycle, Natural product, organic synthesis, Total synthesis}, issn = {0040-4020}, doi = {10.1016/j.tet.2021.132059}, author = {Das, Pronay and Reddy, D. Srinivasa} } @article {47055, title = {Toward pH independent oxygen reduction reaction by polydopamine derived 3D interconnected, iron carbide embedded graphitic carbon}, journal = {ACS Applied Materials \& Interfaces}, volume = {13}, year = {2021}, month = {FEB }, pages = {8147-8158}, type = {Article}, abstract = {

Recent advancements on the development of nonprecious electrocatalysts with iron (Fe) incorporated active centers have generated confidence on realizing cost-effective proton exchange membrane fuel cells (PEMFCs). However, most of these catalysts that emerged as a substitution for the platinum supported on carbon (Pt/C) catalysts in oxygen reduction reaction (ORR) are active under basic conditions, and their feasibility in PEMFCs remains as a challenge. In this scenario, this work reports the synthesis of a Pt-free oxygen reduction electrocatalyst prepared by the annealing of polydopamine grown melamine foam. The prepared catalyst has a three-dimensional (3D) interconnected bilayer network structure possessing the carbon nitride backbone wrapped by graphitic carbon layer bearing iron carbides and nitrides as the active centers (3DFePDC). Interestingly, the 3D-FePDC catalyst displayed an ORR activity both under acidic and basic conditions. Whereas the ORR performance of 3D-FePDC closely matches that of the commercial Pt/C in the basic medium, it displays only a low overpotential value of 60 mV under acidic conditions compared to its Pt counterpart. The kinetics of ORR on 3DFePDC is found to be similar to the four-electron (4e) reduction pathway displayed by Pt/C. Testing of a PEMFC in a single cell mode by using 3D-FePDC as the cathode catalyst and Nafion membrane delivered a maximum power density of 278 mW cm(-2), which is a promising value expected from a system based on the nonprecious metal cathode. Ultimately, as a cost-effective catalyst that can effectively perform irrespective of the pH conditions, 3D-FePDC offers significant prospects in the areas like fuel cells and metal-air batteries which work in acidic and/or basic conditions.

}, keywords = {acidic medium, electrocatalyst, fuel cell, graphitic carbon, Iron carbide, nitrogen doping, nonprecious metal, oxygen reduction reaction}, issn = {1944-8244}, doi = {10.1021/acsami.0c18036}, author = {Gangadharan, Pranav K. and Pandikassala, Ajmal and Kurungot, Sreekumar} } @article {47623, title = {Towards sustainable continuous production of azo dyes: possibilities and techno-economic analysis}, journal = {Green Chemistry}, volume = {23}, year = {2021}, month = {SEP }, pages = {6614-6624}, type = {Article}, abstract = {A novel continuous process for synthesizing azo dyes using a bubble column reactor is reported. Continuous experiments were successfully performed for Sudan-I dye and Solvent Yellow 16 dye with a yield [and productivity] of 92.04 +/- 3.50\% [1.68 +/- 0.13 kg day(-1)] and 96.60 +/- 2.18\% [1.92 +/- 0.04 kg day(-1)], respectively. Experiments were performed at a higher slurry concentration similar to 5\% (w/w) without any clogging. The results were extended for performing a detailed techno-economic analysis for 5 TPD Sudan-I azo dye production as a case study. The results indicate that the cost of the continuous process is almost 4.68 times lower than that of the corresponding batch process. Furthermore, the footprint for a continuous plant can be lowered by 2.4 to 4.5 times when compared to the batch process depending on different refilling strategies for feed storage tanks. A continuous process may require 39-42\% less water than the industrial batch process.}, issn = {1463-9262}, doi = {10.1039/d1gc01133b}, author = {Shukla, Chinmay A. and Kute, Mahesh S. and Kulkarni, Amol A.} } @article {47584, title = {Trace metals in cellular metabolism and their impact on recombinant protein production}, journal = {Process Biochemistry}, volume = {110}, year = {2021}, month = {NOV}, pages = {251-262}, type = {Review}, abstract = {Replacement of serum and increasing use of chemically defined media demands optimisation of trace metal components for biomanufacturing applications. Trace metal availability can impact culture performance, productivity and product quality. Several trace metals are cofactors of metabolic and other enzymes, and thus their availability regulates cellular metabolism. Additionally, they can also affect the availability of other trace metals and stability of some medium components. Such factors also need to be considered while formulating trace metal concentrations in the culture medium. Due to their very low concentrations, these components are susceptible to substantial variability arising from contaminants from other raw material and leaching from process equipment and can contribute to process variability. Understanding the role and impact of trace metals will help develop strategies to achieve targeted process parameters and increase process robustness vis-{\textquoteleft}a-vis any lot-to-lot variability in trace metal concentration in culture medium. This review describes the role of trace metals, particularly manganese, copper and zinc, in central carbon metabolism to aid in understanding the basis of metal-mediated effects on culture performance and provides a comprehensive review of the reported impact of trace metals on CHO cell culture performance and recombinant protein quality.}, keywords = {Chinese hamster ovary cells, glycosylation, Medium formulation, Process variability, Product quality, Recombinant proteins, Trace metals}, issn = {1359-5113}, doi = {10.1016/j.procbio.2021.08.006}, author = {Prabhu, Anuja and Gadgil, Mugdha} } @article {47604, title = {Transition of a deep eutectic solution to aqueous solution: a dynamical perspective of the dissolved solute}, journal = {Journal of Physical Chemistry Letters}, volume = {12}, year = {2021}, month = {SEP}, pages = {8784-8789}, type = {Article}, abstract = {Disruption of the deep eutectic solvent (DES) nanostructure around the dissolved solute upon addition of water is investigated by polarization-selective two-dimensional infrared spectroscopy and molecular dynamics simulations. The heterogeneous DES nanostructure around the solute is partially retained up to 41 wt \% of added water, although water molecules are gradually incorporated in the solute{\textquoteright}s solvation shell even at lower hydration levels. Beyond 41 wt \%, the solute is observed to be preferentially solvated by water. This composition denotes the upper hydration limit of the deep eutectic solvent above which the solute senses an aqueous solvation environment. Interestingly, our results indicate that the transition from a deep eutectic solvation environment to an aqueous one around the dissolved solute can happen at a hydration level lower than that reported for the {\textquoteleft}{\textquoteleft}water in DES{\textquoteright}{\textquoteright} to {\textquoteleft}{\textquoteleft}DES in water{\textquoteright}{\textquoteright} transition.}, issn = {1948-7185}, doi = {10.1021/acs.jpclett.1c02118}, author = {Sakpal, Sushil S. and Deshmukh, Samadhan H. and Chatterjee, Srijan and Ghosh, Deborin and Bagchi, Sayan} } @article {47613, title = {Translating SARS-CoV-2 wastewater-based epidemiology for prioritizing mass vaccination: a strategic overview}, journal = {Environmental Science and Pollution Research}, volume = {28}, year = {2021}, month = {AUG}, pages = {42975-42980}, type = {Article}, abstract = {The inception of the novel coronavirus has forced the world into despair. Rapid progress has been made in addressing the situation, and various clinical diagnostic methods were developed for early detection of transmission. However, with a rapidly increasing number of infected populations worldwide, the testing of each individual was impractical. The wastewater-based epidemiology (WBE) has been implemented to evaluate disease outbreaks as an early warning system for pandemic preparedness. Numerous studies reported the presence of SARS-CoV-2 in the open drains and STPs across the globe via recovery efficiency of surrogate virus from existing virus concentration protocols. However, the such reported studies did not justify the use of WBE to identify or pinpoint the specific hotspots of transmission which could be prioritized for rapid efforts to contain or accelerate active vaccination efforts. Identifying precise locations of hotspots could be an essential aspect in controlling the outbreak and surge of wave by prioritizing the region for primary outbreak response. This article focuses on the issues relating to the primary focus for WBE that can be adapted, and its suitability for utilization in the mass vaccination program is discussed. Effective use of WBE information in terms of source tracking might be crucial as we move towards mass vaccination to control outbreaks of COVID-19 pandemic.}, keywords = {Epidemiology, Policy making, SARS-CoV-2, Vaccination, wastewater}, issn = {0944-1344}, doi = {10.1007/s11356-021-15169-7}, author = {Dharmadhikari, Tanmay and Yadav, Rakeshkumar and Dastager, Syed and Dharne, Mahesh} } @article {47064, title = {Triazine-based janus G-C nucleobase as a building block for self-assembly, peptide nucleic acids, and smart polymers}, journal = {Journal of Organic Chemistry}, volume = {86}, year = {2021}, month = {FEB }, pages = {3186-3195}, type = {Article}, abstract = {

This communication reports on the utility of a triazine-based self-assembling system, reminiscent of a Janus G-C nucleobase, as a building block for developing (1) supramolecular polymers, (2) peptide nucleic acids (PNAs), and (3) smart polymers. The strategically positioned self-complementary triple H-bonding arrays DDA and AAD facilitate efficient self-assembly, leading to a linear supramolecular polymer.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.0c02530}, author = {Meena, Chhuttan L. and Singh, Dharmendra and Kizhakeetil, Bhavya and Prasad, Manasa and George, Malini and Tothadi, Srinu and Sanjayan, Gangadhar J.} } @article {47683, title = {Tuning of alpha-silyl carbocation reactivity into enone transposition: application to the synthesis of peribysin D, E-volkendousin, and E-guggulsterone}, journal = {Organic Letters}, volume = {23}, year = {2021}, month = {SEP }, pages = {6642-6647}, type = {Article}, abstract = {A reliable method for enone transposition has been developed with the help of silyl group masking. Enantio-switching, substituent shuffling, and Z-selectivity are the highlights of the method. The developed method was applied for the first total synthesis of peribysin D along with its structural revision. Formal synthesis of E-guggulsterone and E-volkendousin was also claimed using a short sequence.}, issn = {1523-7060}, doi = {10.1021/acs.orglett.1c02173}, author = {Athawale, Paresh R. and Zade, Vishal M. and Krishna, Gamidi Rama and Reddy, D. Srinivasa} } @article {47592, title = {Tuning the selectivity of CO2 hydrogenation using ceramic hollow fiber catalytic modules}, journal = {Reaction Chemistry \& Engineering}, volume = {6}, year = {2021}, month = {SEP }, pages = {1655-1665}, type = {Article}, abstract = {The unique structural features and advantageous pore distributions of alumina hollow fibers can be exploited to tune the selectivity in heterogeneous catalysis. Formation of a finger-like cavity structure is the unique characteristic of the phase inversion method, which provides a larger surface area to volume ratio desirable for catalytic reactions. This feature, along with a highly porous sandwiched skin layer, makes this architecture superior to conventional powder catalysts or other structured catalyst forms like monoliths. Alumina hollow fibers are prepared by the modified phase inversion method and characterized for their pore size and distribution. Ni metal nanoparticles are uniformly deposited in the Al2O3 hollow fibers to prepare a Ni/Al2O3 catalyst and tested for the CO2 methanation reaction. Suitable reactor and catalyst loading methods are designed and optimized to achieve higher CO2 to methane conversion in a temperature range of 225 to 400 degrees C. The alpha-alumina phase, which is usually reported to be a poor support for Ni in CO2 methanation in the conventional fixed bed configuration, showed high activity when modulated as hollow fibers. Also, the selectivity to CH4 is enhanced and minimal CO formation is observed. The kinetic rate expressions are simulated for the prediction of methane and CO gas evolution at the outlet with temperature. The experimental results for the gas composition are in good agreement with the model predictions. The advantage of such a module reactor is explained based on the mass transfer limitations and consequently the reaction time constants arrived at from the predicted gas compositions.}, issn = {2058-9883}, doi = {10.1039/d1re00076d}, author = {Jogdand, Shunottara M. and Bedadur, Prachiti R. and Torris, Arun and Kharul, Ulhas K. and Naidu, V. Satyam and Devi, R. Nandini} } @article {48151, title = {Tailored synthesis of ultra-stable Au@Pd nanoflowers with enhanced catalytic properties using cellulose nanocrystals}, journal = {Carbohydrate Polymers}, volume = {292}, year = {2022}, month = {SEP}, pages = {119723}, type = {Article}, abstract = {

A green strategy for the synthesis of bimetallic core-shell Au@Pd nanoflowers (NFs) employing banana pseudostem-derived TEMPO-oxidized cellulose nanocrystals (TCNC) as both capping and shape-directing agent via seed-mediated method is presented. Flower-like nanostructures of Au@Pd bound to TEMPO-oxidized cellulose nanocrystals (TCNC-Au@Pd) were decorated on amino-functionalized graphene (NH2-RGO) without losing their unique structure, allowing them to be deployed as an efficient, reusable and a green alternative heterogeneous catalyst. The decisive role of TCNC in the structural metamorphosis of nanoparticle morphology were inferred from the structural and morphology analyses. According to our study, the presence of -OH rich TCNC appears to play a pivotal role in the structured evolution of intricate nanostructure morphology. The feasibility of the bio-supported catalyst has been investigated in two concurrently prevalent model catalytic reactions, namely the oxygen reduction reaction (ORR) and the reduction of 4-nitrophenol, the best model reactions in fuel cell and industrial catalytic applications, respectively.

}, keywords = {Au@Pd, catalysis, Cellulose nanocrystals, Nanoflowers, oxygen reduction reaction}, issn = {0144-8617}, doi = {10.1016/j.carbpol.2022.119723}, author = {Hakkeem, Hasna M. Abdul and Babu, Aswathy and Shilpa, Nagaraju and Venugopal, Adithya A. and Mohamed, A. P. and Kurungot, Sreekumar and Pillai, Saju} } @article {48015, title = {Tailoring diradicaloid properties of expanded isophlorinoids with systematic core-modification}, journal = {Chemical Communications}, volume = {58}, year = {2022}, month = {AUG}, pages = {8946-8949}, type = {Article}, abstract = {

Herein, we describe the synthesis, structural diversity and diradicaloid characteristics of 38 pi core-modified aromatic expanded isophlorins with eight heterocyclic rings. The diradicaloid character of expanded isophlorinoid macrocycles was engineered by systematic structural modification. Depending on the nature of the link between the heteroatoms, they adopt planar and non-planar conformations. This large structural variation with a significant difference in the extent of aromaticity is correlated with the magnitude of their respective diradical character.

}, issn = {1359-7345}, doi = {10.1039/d2cc02970g}, author = {Ambhore, Madan D. and Shukla, Pragati and Gonnade, Rajesh G. and Anand, Venkataramanarao G.} } @article {48435, title = {Tailoring the properties of Ni(111)/graphone interfaces by intercalation of Al and Na: a DFT study}, journal = {C-Journal of Carbon }, volume = {8}, year = {2022}, month = {NOV}, type = {Article}, abstract = {

With the incredible discovery of graphene (Gr), all of the properties studied to date suggest that it has promising applications in the development of semiconductor, spintronic, insulating, and polymer materials. However, efforts are still underway to fully understand the nature of metal{\textendash}graphone(GrH) interaction in order to offer better scope for tuning the electronic and magnetic properties, which can be performed by intercalation of atoms via metal support on graphene. We chose metal atoms belonging to the s and p blocks, namely Na and Al, respectively, as the intercalating atoms. Herein, the maximum coverage of a monolayer of Na and Al was comparatively studied on a Ni(111) surface. Significant changes in the magnetic and electronic properties at the Ni(111)/graphone interface were observed upon intercalation. Of the two intercalating metal atoms, Na proved to be more effective, such that the magnetic properties of the surface Ni were only slightly decreased, and the graphone also showed better magnetic properties than in the absence of Na.

}, doi = {10.3390/c8040062}, author = {Archana, Ramakrishnan and Joshi, Niharika and Raja, Thirumalaiswamy} } @article {47730, title = {Tantalum based single, double, and triple atom catalysts supported on g-C2N monolayer for effective nitrogen reduction reaction: a comparative DFT investigation}, journal = {Catalysis Science \& Technology}, volume = {12}, year = {2022}, month = {JAN }, pages = {310-319}, type = {Article}, abstract = {Design of efficient and low cost electrocatalysts for the reduction of N-2 molecule to NH3 in a green manner remains a great challenge in the 21st century. Herein, we have used density functional theory based first principle simulations to systematically investigate the nitrogen reduction reaction (NRR) ability of single, double, and triple Ta-atom catalysts anchored to C2N monolayer. Our results demonstrate that the single and triple Ta-atom catalysts anchored to C2N monolayer act as superior catalysts for the NRR via alternating and distal pathways as compared to the Ru(0001) stepped surface. In particular, the triple Ta-atom catalyst anchored to C2N shows enhanced NRR performance with a limiting potential of -0.72 V which is comparable to the experimentally reported Ru based single atom catalyst. Further, all the three catalysts were found to be highly selective for NRR with an enhanced ability to suppress the competitive hydrogen evolution reaction. Electronic structure analysis revealed that the enhanced ability of Ta-3@C2N catalyst to effectively capture and reduce N-2 molecule could be attributed to the built up of localized d states near the fermi level, thereby aiding in strong electron transfer into the antibonding orbitals of N-2. Thus, our findings propose a highly active catalyst for the NRR with an emphasis on the importance of triple atom-based catalysts for electrocatalytic applications.}, issn = {2044-4753}, doi = {10.1039/d1cy01292d}, author = {Rasool, Anjumun and Anis, Insha and Dixit, Mudit and Maibam, Ashakiran and Hassan, Afshana and Krishnamurty, Sailaja and Dar, Manzoor Ahmad} } @article {48403, title = {Temporal analysis of melanogenesis identifies fatty acid metabolism as key skin pigment regulator}, journal = {Plos Biology}, volume = {20}, year = {2022}, month = {MAY}, pages = {e3001634}, type = {Article}, abstract = {

Therapeutic methods to modulate skin pigmentation has important implications for skin cancer prevention and for treating cutaneous hyperpigmentary conditions. Towards defining new potential targets, we followed temporal dynamics of melanogenesis using a cell-autonomous pigmentation model. Our study elucidates 3 dominant phases of synchronized metabolic and transcriptional reprogramming. The melanogenic trigger is associated with high MITF levels along with rapid uptake of glucose. The transition to pigmented state is accompanied by increased glucose channelisation to anabolic pathways that support melanosome biogenesis. SREBF1-mediated up-regulation of fatty acid synthesis results in a transient accumulation of lipid droplets and enhancement of fatty acids oxidation through mitochondrial respiration. While this heightened bioenergetic activity is important to sustain melanogenesis, it impairs mitochondria lately, shifting the metabolism towards glycolysis. This recovery phase is accompanied by activation of the NRF2 detoxication pathway. Finally, we show that inhibitors of lipid metabolism can resolve hyperpigmentary conditions in a guinea pig UV-tanning model. Our study reveals rewiring of the metabolic circuit during melanogenesis, and fatty acid metabolism as a potential therapeutic target in a variety of cutaneous diseases manifesting hyperpigmentary phenotype.

}, issn = {1544-9173}, doi = {10.1371/journal.pbio.3001634}, author = {Sultan, Farina and Basu, Reelina and Murthy, Divya and Kochar, Manisha and Attri, Kuldeep S. and Aggarwal, Ayush and Kumari, Pooja and Dnyane, Pooja and Tanwar, Jyoti and Motiani, Rajender K. and Singh, Archana and Gadgil, Chetan and Bhavesh, Neel Sarovar and Singh, Pankaj K. and Natarajan, Vivek T. and Gokhale, Rajesh S.} } @article {46711, title = {Tetrazoloquinoline-1,2,3-triazole derivatives as antimicrobial agents: synthesis, biological evaluation and molecular docking study}, journal = {Polycyclic Aromatic Compounds}, volume = {42}, year = {2022}, month = {SEP}, pages = {1920-1941}, type = {Article}, abstract = {

In search of new active molecules, a small focused library of tetrazoloquinoline-based 1,2,3-triazoles has been efficiently preparedviaclick chemistry approach. Several derivatives were found to be exhibiting promising antimicrobial and antioxidant activity characterized by their lower minimum inhibitory concentration values. All the synthesized compounds exhibited excellent antibacterial activity against Gram negative bacteriaE. coliandF. devoransand antifungal activity againstC. albicansandA. niger. Further, these compounds were tested for their antitubercular activity against dormantMTB H37Raand dormantM. bovis BCGusing XRMA assay protocol and showed no significant activity. Also, the synthesized compounds were found to have potential antioxidant activity with IC(50)range = 12.48-50.20 mu g/mL. Furthermore, to rationalize the observed biological activity data, the molecular docking study also been carried out against the active site of fungalC. albicansenzyme P450 cytochrome lanosterol 14 alpha-demethylase, which revealed a significant correlation between the binding score and biological activity for these compounds. The results of thein vitroandin silicostudy suggest that the triazole-incorporated tetrazoloquinolines may possess the ideal structural requirements for further development of novel therapeutic agents.

}, keywords = {1, 2, 3-Triazole, ADME prediction, Antimicrobial, Antioxidant, Docking study}, issn = {1040-6638}, doi = {10.1080/10406638.2020.1821229}, author = {Shaikh, Mubarak H. and Subhedar, Dnyaneshwar D. and Akolkar, Satish V. and Nagargoje, Amol A. and Khedkar, Vijay M. and Sarkar, Dhiman and Shingate, Bapurao B.} } @article {48113, title = {Thallium(III) p-tosylate (TTS) mediated oxidative rearrangement of 2-naphthyl and 2-heteroarylchromanones}, journal = {Indian Journal of Chemistry}, volume = {61}, year = {2022}, month = {SEP}, pages = {923-927}, type = {Article}, abstract = {

A practical and effective approach towards the synthesis of 3-hetroaryl-4H-chromen-4-ones by the oxidative rearrangement of the respective 2-hetroaryl chroman-4-ones using thallium(III) p-tosylate is described. The oxidative rearrangement of alpha and beta-naphthyl and thiophene behave like aryl groups. However, pyridyl groups give only the dehydrogenated product.

}, keywords = {2-(3-pyridyl)chromones, 2-(4-pyridyl)chromones, 2-and 3-(2-theinyl)chromones, 2-and 3-(3-theinyl)chromones, 2-and 3-(?-naphthyl) chromones, Dehydrogenation, Oxidative rearrangements, thallium(III) acetate, thallium(III) p-tosylate}, issn = {0019-5103}, doi = {10.56042/ijc.v61i9.66341}, author = {Kurapati, Chidvilas and Muthukrishnan, M. and Singh, V. Om and Gundla, Rambabu} } @article {47675, title = {Thallium(III) p-tosylate-mediated oxidative [1,2] rearrangement of 2-naphthyl and 2-heteroarylchromanones}, journal = {Journal of Heterocyclic Chemistry}, volume = {59}, year = {2022}, month = {JAN}, pages = {172-177}, type = {Article}, abstract = {A practical and effective approach towards the synthesis of 3-heteroaryl-4H-chromen-4-ones by the oxidative [1,2] rearrangement of the respective 2-heteroaryl chroman-4-ones using thallium(III) p-tosylate is presented. The oxidative rearrangement of alpha- and beta-naphthyl and thiophene substituents behaves like aryl groups; However, pyridyl substituents gave only dehydrogenated products.}, issn = {0022-152X}, doi = {10.1002/jhet.4377}, author = {Kurapati, Chidvilas and Muthukrishnan, Murugan and Singh, V. Om and Gundla, Rambabu} } @article {47894, title = {Thermal and crystallization behaviour of polyphenylene sulfide in engineering polymer blends with HDPE}, journal = {International Polymer Processing}, volume = {2}, year = {2022}, month = {FEB }, pages = {53-58}, type = {Article}, abstract = {

The thermal and crystallization behaviour of polyphenylene sulfide (PPS) in its blends with high density polyethylene (HDPE) is reported. Three grades of HDPE ranging in MFI from 0.4 to 52 were used in the investigation. The effect of composition and molecular weight of HDPE on the crystallization process and morphology of PPS in the blends has been investigated by the technique of Differential Scanning Calorimetry (DSC). In the blends, PPS crystallizes in presence of molten HDPE. It is observed that the morphology of PPS in terms of crystallite size and crystallite size distribution in the blends is significantly affected by blending with HDPE. The temperature onset of melting was found to increase with increasing HDPE content and the melting peak width was found to decrease with increasing HDPE content. This indicates a larger crystallite size and a narrower crystallite size distribution of PPS in blends. The effect is more pronounced in HDPE-rich compositions. The extent of the variation in the temperature onset of melting and peak width were comparable for all the grades of HDPE. The degree of crystallinity of PPS in the blends is reduced significantly (55-70\%) in HDPE-rich blends. Therefore, it is concluded that the crystallization of PPS is affected by the presence of HDPE melt. The crystallization scans of PPS in the blends, obtained in the cooling mode, did not show any evidence of accelerated nucleation. On the other hand, a marginal reduction in the temperature onset of crystallization was observed. The temperature range of crystallization of PPS in the blends was found to be less for all compositions except for 90/10 (PPS/HDPE). In summary it is concluded that blending of HDPE with PPS influences the crystal growth of PPS significantly although the effect on its homogeneous nucleation is also considerable. As a result, the morphology of PPS crystallized in blends is different from that of the homopolymer. The changes in the morphology of PPS are not sensitive to the molecular weight of HDPE probably because of the high temperature of PPS crystallization relative to the melting point of HDPE.

}, issn = {0930-777X}, doi = {10.1515/ipp-1987-0019}, author = {Nadkarni, V. M. and Shingankuli, V. L. and Jog, J. P.} } @article {47771, title = {Thermodynamics and its correlation with dynamics in a mean-field model and pinned systems: a comparative study using two different methods of entropy calculation}, journal = {Journal of Chemical Physics}, volume = {156}, year = {2022}, month = {JAN }, pages = {014503}, type = {Article}, abstract = {A recent study introduced a novel mean-field model system where each particle over and above the interaction with its regular neighbors interacts with k extra pseudo-neighbors. Here, we present an extensive study of thermodynamics and its correlation with the dynamics of this system. We surprisingly find that the well-known thermodynamic integration (TI) method of calculating the entropy provides unphysical results. It predicts vanishing of the configurational entropy at temperatures close to the onset temperature of the system and negative values of the configurational entropy at lower temperatures. Interestingly, well below the temperature at which the configurational entropy vanishes, both the collective and the single-particle dynamics of the system show complete relaxation. Negative values of the configurational entropy are unphysical, and complete relaxation when the configurational entropy is zero violates the prediction of the random first-order transition theory (RFOT). However, the entropy calculated using the two-phase thermodynamics (2PT) method remains positive at all temperatures for which we can equilibrate the system, and its values are consistent with RFOT predictions. We find that with an increase in k, the difference in the entropy computed using the two methods increases. A similar effect is also observed for a system where a randomly selected fraction of the particles are pinned in their positions in the equilibrated liquid. We show that the difference in entropy calculated via the 2PT and TI methods increases with pinning density.}, issn = {0021-9606}, doi = {10.1063/5.0065668}, author = {Nandi, Ujjwal Kumar and Patel, Palak and Moid, Mohd and Nandi, Manoj Kumar and Sengupta, Shiladitya and Karmakar, Smarajit and Maiti, Prabal K. and Dasgupta, Chandan and Bhattacharyya, Sarika Maitra} } @article {48033, title = {Thiocyanate- and thiol-functionalized p-doped quantum dot colloids for the development of bulk homojunction solar cells}, journal = {Energy Technology}, volume = {10}, year = {2022}, month = {SEP}, pages = {2200455}, type = {Article}, abstract = {

Progress in device engineering and surface passivation strategies has led to steady progress in colloidal quantum dot (QD) solar cells. Bulk homojunction (BHJ) device architecture has several advantages over the conventional planar junction in developing QD solar cells. Herein, surface ligand chemistry is utilized to control the doping type and dispersibility of oppositely doped PbS QDs to develop BHJ solar cells. Thiocyanate and thiol ligand combination is introduced to develop p-PbS QD ink, which is blended with halide-passivated n-PbS QDs to build BHJ solar cells. It is shown that BHJ solar cells are benefited from high energy offset and higher hole mobility. This leads to the superior carrier extraction from a thicker active layer without compromising fill factor and open circuit voltage. Power conversion efficiency has reached 10.7\% in 530 nm-thick BHJ solar cells, a 24\% improvement over the best performing planar solar cells. With the help of the 1D solar cell capacitance simulator, it is shown that a 15\% efficient QD solar cell can be realized by further improving the hole mobility above 0.1 cm(2) V-1 s(-1).

}, keywords = {bulk homojunctions, Doping, quantum dots, solar cells, surface functionalization}, issn = {2194-4288}, doi = {10.1002/ente.202200455}, author = {Dambhare, V. Neha and Sharma, Ashish and Mahajan, Chandan and Rath, Arup K.} } @article {48097, title = {Total synthesis of 12, 13-dibenzyl-banistenoside B and analogs}, journal = {European Journal of Organic Chemistry}, volume = {2022}, year = {2022}, month = {MAY}, pages = {e202200222}, type = {Article}, abstract = {

Banistenosides A and B possessing a unique {\textquoteleft}{\textquoteleft}azepino(1,2-a)tetrahydro-beta-carboline{\textquoteright}{\textquoteright} carbon framework were isolated from the stem of Banisteriopsis caapi and showed MAO-A inhibition. Herein, we report the total synthesis of dibenzyl derivative of the untouched natural product in the last two decades, Banistenoside B. The key steps involve construction of 6.5.6.7 tetracyclic core using Pictet-Spengler reaction and intramolecular amide coupling. The stereoselective glycation was achieved through Hotha{\textquoteright}s protocol using gold catalyst, and silver triflate in the late stage of synthesis. The stereochemistry of most of the essential compounds were confirmed by X-ray crystallography.

}, keywords = {Au-catalyst, Multiple steps total synthesis, Natural products, Pictet-Spengler reaction, Wittig reaction}, issn = {1434-193X}, doi = {10.1002/ejoc.202200222}, author = {Patil, Suhag S. and Jachak, Gorakhnath R. and Krishna, Gamidi Rama and Argade, Narshinha P. and Reddy, D. Srinivasa} } @article {48390, title = {Toughening poly(l-lactide) blends: effectiveness of sequence-controlled six-arm star-branched block copolymers of poly(L-lactide) and poly(epsilon-caprolactone)}, journal = {ACS Omega}, volume = {7}, year = {2022}, month = {MAR}, pages = {9118-9129}, type = {Article}, abstract = {

Well-defined six-arm star-branched bio-degradable block copolymers of L-lactide and epsilon-caprolactone were prepared using controlled ring-opening polymerization and a sequential monomer addition method using dipentaerythritol as the initiator core and organocatalysts at low temperatures in solution. Sequence of enchainment was changed by reversing the order of monomer addition giving, either, a crystalline PLA block or an amorphous PCL block as the outer segment. Well-defined six-arm poly(epsilon-caprolactone-b-L-lactide, 6s-PCL-b-PLA) block copolymers were obtained with a range of segment molecular weights. However, in the case of six-arm poly(L-lactide-b-epsilon-caprolactone, 6s-PLA-b-PCL), disruption of the block structure was observed on account of competing transesterification reactions accompanying a chain-growth reaction. Such sequence-controlled block copolymers showed interesting phase morphologies, as evidenced by differential scanning calorimetry (DSC) studies. 6s-PCL-b-PLA showed two glass-transition temperatures and two melting temperatures characteristic of the amorphous and crystalline blocks. 6s-PCL-b-PLA and 6s-PLA-b-PCL with different segment chain lengths were solution blended (10 wt \%) with a commercially sourced PLA. All the blends were highly transparent. The structure and properties of the blend were examined by DSC, measurement of mechanical properties, and scanning electron microscopy. The results show that a phase-separated 6s-PCL-b-PLA copolymer results in two- to three-fold improvement in tensile toughness without the loss of modulus. A possible hypothesis for the mechanism of tensile toughness in the blend has been proposed.

}, issn = {2470-1343}, doi = {10.1021/acsomega.1c04486}, author = {Deokar, Megha D. and Garnaik, Baijayantimala and Sivaram, Swaminathan} } @article {48035, title = {Toxicity and preventive approaches of Fusarium derived mycotoxins using lactic acid bacteria: state of the art}, journal = {Biotechnology Letters}, volume = {44}, year = {2022}, month = {OCT}, pages = {1111-1126}, type = {Review}, abstract = {

Mycotoxin contamination of food and feed is a serious food safety issue and causes acute and chronic diseases in humans and livestock. Climatic and agronomic changes helps in the proliferation of fungal growth and mycotoxin production in food commodities. Mycotoxin contamination has attracted global attention due to its wide range of toxicity to humans and animals. However, physical and chemical management approaches in practice are unsafe for well-being due to their health-hazardous nature. Various antibiotics and preservatives are in use to reduce the microbial load and improve the shelf life of food products. In addition, the use of antibiotic growth promotors in livestock production may increase the risk of antimicrobial resistance, which is a global health concern. Due to their many uses, probiotics are helpful microbes that have a significant impact on food and nutrition. Furthermore, the probiotic potential of lactic acid bacteria (LAB) is employed in various food and feed preparations to neutralize mycotoxins, antimicrobial activities, balance the gut microbiome, and various immunomodulatory activities in both humans and livestock. In addition, LAB produces various antimicrobials, flavouring agents, peptides, and proteins linked to various food and health care applications. The LAB-based processes for mycotoxin management are more effective, eco-friendly, and low-cost than physical and chemical approaches. The toxicity, novel preventive measures, binding nature, and molecular mechanisms of mycotoxins{\textquoteright} detoxification using LAB have been highlighted in this review.

}, keywords = {Food safety, Fusarium species, Lactic acid bacteria, management, Mycotoxin}, issn = {0141-5492}, doi = {10.1007/s10529-022-03293-4}, author = {Navale, Vishwambar D. and Vamkudoth, Koteswara Rao} } @article {48230, title = {Transcriptional and translational perturbation in abiotic stress induced physiological activities and metabolic pathway networks in spongy tissue disorder of mango fruit}, journal = {Postharvest Biology and Technology}, volume = {188}, year = {2022}, month = {JUN}, pages = {111880}, type = {Article}, abstract = {

Spongy tissue formation is economically the most detrimental but agriculturally less focused physiological disorder in mango. {\textquoteleft}Alphonso{\textquoteright} cultivar is highly prone to oxidative stress induced spongy tissue disorder impacting biochemical and metabolic profile, thereby affecting pulp quality and nutritional value of the fruit. In the present study, comparative analysis of spongy and healthy mesocarp tissues of {\textquoteleft}Alphonso{\textquoteright} mango by transcriptomics using Illumina sequencing and proteomics using LC-MS approaches, respectively identified and quantified many genes and proteins in the metabolic pathways responsible for the spongy tissue development. The table green and the mid ripe stages of {\textquoteleft}Alphonso{\textquoteright} fruit ripening were evaluated by the transcriptomic study and outcomes were validated using proteomic investigations for all the four ripening stages. Colossal amount of data including 30,582 transcripts, 10,800 gene ontologies and 387 putative proteins was generated from this analysis. Current multi-omics exploration revealed the development of abiotic stress (mainly oxidative stress) induced perturbations in various metabolic pathways and their interconnections, leading to the spongy tissue formation in mango. This further unfolded the altered cell wall degradation, ethylene and flavonoid biosynthesis, fruit ripening and flavor formation, thus hampering the fruit specific characteristics in mango with spongy tissue disorder.

}, keywords = {Oxidative stress, Proteome, spongy tissue disorder, Transcriptome, {\textquoteleft} Alphonso {\textquoteleft} mango}, issn = {0925-5214}, doi = {10.1016/j.postharvbio.2022.111880}, author = {Oak, Pranjali and Jha, Vineet and Deshpande, Ashish and Tanpure, Rahul and Dawkar, Vishal and Mundhe, Swapnil and Ghuge, Sandeep and Prabhudesai, Shrikant and Krishanpal, Anamika and Jere, Abhay and Giri, Ashok and Gupta, Vidya} } @article {47896, title = {Transition metal- and oxidant-free regioselective synthesis of 3,4,5-trisubstituted pyrazoles by means of [3+2] cycloaddition reactions}, journal = {ChemistrySelect}, volume = {7}, year = {2022}, month = {MAR}, pages = {e202200605}, type = {Article}, abstract = {

A highly efficient regioselective synthesis of 3,4,5-trisubstituted pyrazoles via transition metal- and oxidant-free, three component [3+2] cycloaddition with thiazolidinedione chalcones, benzaldehydes and N-tosylhydrazine is described. The reaction proceeds through C-C and C-N bond formations under mild reaction conditions to produce structurally diverse polysubstituted pyrazoles in moderate to good yields.

}, keywords = {3, 4, 5-trisubstituted pyrazoles, Cycloaddition, Multicomponent reaction, Oxidant free, Regioselectivity, Transition metal free}, issn = {2365-6549}, doi = {10.1002/slct.202200605}, author = {Allaka, Bhargava Sai and Basavoju, Srinivas and Gamidi, Rama Krishna} } @article {48153, title = {Trap inlaid cationic hybrid composite material for efficient segregation of toxic chemicals from water (vol 61, e202203385, 2022)}, journal = {Angewandte Chemie-International Edition}, volume = {61}, year = {2022}, month = {OCT}, pages = {e202212921}, type = {Correction}, issn = {1433-7851}, doi = {10.1002/anie.202212921}, author = {Fajal, Sahel and Mandal, Writakshi and Mollick, Samraj and More, Yogeshwer D. and Torris, Arun and Saurabh, Satyam and Shirolkar, Mandar M. and Ghosh, Sujit K.} } @article {48144, title = {Trap inlaid cationic hybrid composite material for efficient segregation of toxic chemicals from water}, journal = {Angewandte Chemie-International Edition}, volume = {61}, year = {2022}, month = {AUG }, pages = {e202203385}, type = {Article}, abstract = {

Metal-based oxoanions are potentially toxic pollutants that can cause serious water pollution. Therefore, the segregation of such species has recently received significant research attention. Even though several adsorbents have been employed for effective management of chemicals, their limited microporous nature along with non-monolithic applicability has thwarted their large-scale real-time application. Herein, we developed a unique anion exchangeable hybrid composite aerogel material (IPcomp-6), integrating a stable cationic metal-organic polyhedron with a hierarchically porous metal-organic gel. The composite scavenger demonstrated a highly selective and very fast segregation efficiency for various hazardous oxoanions such as, HAsO42-, SeO42-, ReO4-, CrO42-, MnO4-, in water, in the presence of 100-fold excess of other coexisting anions. The material was able to selectively eliminate trace HAsO42- even at low concentration to well below the As-v limit in drinking water defined by WHO.

}, keywords = {Aerogel, Chemical Separation, Hybrid composite, Metal-Organic Gel, Metal-Organic Polyhedra}, issn = {1433-7851}, doi = {10.1002/anie.202203385}, author = {Fajal, Sahel and Mandal, Writakshi and Mollick, Samraj and More, Yogeshwer D. and Torris, Arun and Saurabh, Satyam and Shirolkar, Mandar M. and Ghosh, Sujit K.} } @article {48051, title = {Tridentate NacNac stabilized tin and nickel complexes: access to a monomeric nickel hydride and its catalytic application}, journal = {Inorganic Chemistry}, volume = {61}, year = {2022}, month = {OCT}, pages = {17370-17377}, type = {Article}, abstract = {

The transmetalation reaction of picolyl-supported tridentate nacnac germylene monochloride [2,6-iPr2-C6H3NC-(Me)CHC(Me)NH(CH2py)]GeCl (1) (py = pyridine) with SnCl2 results in an analogous stannylene chloride (2). The three -coordinated stannylenium cation [{2,6-iPr2-C6H3NC(Me)CHC-(Me)NH(CH2py)}Sn]+ with SnCl3- as a counteranion (3) has been generated through the abstraction of chloride ligand from 2 using an additional equivalent of SnCl2. Instead of forming a donor-acceptor complex, 2 undergoes a facile redox trans-metalation reaction with Ni(COD)2 (COD = cyclooctadiene) and CuCl to afford analogous nickel and copper complexes [2,6-iPr2-C6H3NC(Me)CHC(Me)NH(CH2py)]MCl [M = Ni (4) and Cu (5)]. The reactions of 4 with potassium tri-sec-butylborohydride (commonly known as K-selectride) and AgSbF6 provide access to monomeric Ni(II) hydride, [2,6-iPr2-C6H3NC(Me)CHC(Me)NH(CH2py)]NiH (6) and a Ni(II) cation, [{2,6-iPr2- C6H3NC(Me)CHC(Me)NH(CH2py)}Ni][SbF6] (7), respectively. 6 was found to be an effective catalyst for the hydroboration of amides.

}, issn = {0020-1669}, doi = {10.1021/acs.inorgchem.2c03227}, author = {Pahar, Sanjukta and Sharma, Vishal and Mahata, Biplab and George, Christy P. and Sharma, Himanshu and Vanka, Kumar and Sen, Sakya S.} } @article {48385, title = {Tryptophan-cardanol fluorescent nanoparticles inhibit alpha-synuclein aggregation and disrupt amyloid fibrils}, journal = {Journal of Peptide Science}, volume = {28}, year = {2022}, month = {APR}, pages = {e3374}, type = {Article}, abstract = {

Protein misfolding and aggregation play a vital role in several human diseases such as Parkinson{\textquoteright}s, Alzheimer{\textquoteright}s, and prion diseases. The development of nanoparticles that modulate aggregation could be potential drug candidates for these neurodegenerative disorders. Parkinson{\textquoteright}s disease pathogenesis is closely associated with the accumulation of alpha-synuclein oligomers and fibrils in the substantia nigra of the brain. This report discusses the interactions of novel tryptophan-cardanol nanoparticles with alpha-synuclein protein monomers and fibrils. These nanoparticles could effectively disrupt alpha-synuclein fibrils and inhibit fibril formation at low concentrations such as 5 mu M. The tryptophan-cardanol nanoparticles inhibit fibril formation from unstructured protein resulting in spherical nanostructures. These nanoparticles could also disassemble amyloid fibrils; the complete disappearance of fibrils was evident after 48 h of incubation with tryptophan-cardanol. The transmission electron microscopy (TEM) micrographs after the incubation did not show any remnants of the peptide aggregates or oligomers. The thioflavin T fluorescence after the disassembly was diminished compared with that of fibrils also supports the inhibitory effect of the nanoparticles. Also, these nanoparticles did not reduce the viability of the SH-SY5Y cells. These findings suggest that the tryptophan-cardanol nanoparticles showed sufficiently high inhibitory activity and may have therapeutic potential for synucleinopathies.

}, keywords = {alpha-synuclein, amyloid fibrils, Cardanol, inhibitors, Tryptophan}, issn = {1075-2617}, doi = {10.1002/psc.3374}, author = {Sunny, Lisni P. and Srikanth, Priya and Sunitha, Anju Kunhiraman and Tembulkar, Niyoti and Abraham, Jancy Nixon} } @article {47826, title = {Tuning of oxygen reduction pathways through structural variation in transition metal-doped Ba2In2O5}, journal = {ChemElectroChem}, volume = {9}, year = {2022}, month = {JAN}, pages = {e202101163}, type = {Article}, abstract = {Abstract Oxygen reduction reaction (ORR) can take place either through a two-electron pathway to form H2O2 or through a four-electron pathway to form H2O. Both the reactions are important in the respective fields, viz., H2O2 production as well as fuel cell technology, and rational design of catalysts is mandatory to acquire high energy efficiency in both cases. Here, we report the structure-electrochemical property correlation of a series of perovskite related brownmillerite compounds, Ba2In0.75M0.25O5 (M=Mn/Fe/Co/Ni/Cu), synthesized by solid-state method. On transition metal doping, octahedral distortions were observed, and the highly disordered material tends to follow the 4e transfer mechanism. More symmetrical structures followed the 2e pathway to form H2O2 as the product with high peroxide selectivity. The distortion in the octahedral arrangement can be a descriptor to finetune the selectivity of the catalysts towards the 2e and 4e pathways of ORR.}, keywords = {brownmillerite, Descriptors, Electrochemical H2O2 synthesis, Octahedral distortion, oxygen reduction reaction}, doi = {10.1002/celc.202101163}, author = {Thundiyil, Shibin and Pandikassala, Ajmal and Kurungot, Sreekumar and Devi, R. Nandini} } @article {48047, title = {Tuning of work function of ZnO by doping and co-doping: an investigation using X-ray photoelectron spectroscopy}, journal = {Thin Solid Films}, volume = {761}, year = {2022}, month = {NOV}, pages = {139538}, type = {Article}, abstract = {

The shift in the work function of the ZnO thin film upon varying codoping ratio has been investigated by X-ray photoelectron spectroscopy. A notable shift of 0.2 eV in the work function was achieved in the films when the Al: In doping ratio was changed from 0:10 to 10:0. The elemental composition of the dopants obtained from XPS analysis showed the presence of more amount of In dopant than Al in codoped ZnO films. In this way a clear understanding of the variation in electrical properties on dopant ratio is obtained. A decrease in work function was also observed with the increase in free carrier concentration when the codopant ratio is changed. The effects of Burstein moss, band narrowing, and band renormalization observed in the bandgap were explained by an upward and downward shift of valence band maxima of the corresponding thin films. The controllable work function of the codoped ZnO films by varying the doping ratio offers excellent potential advantages in optoelectronic devices.

}, keywords = {Indium -Aluminum co -doping, Spray coating, thin film, Work function, X-ray photoelectron spectroscopy, Zinc oxide}, issn = {0040-6090}, doi = {10.1016/j.tsf.2022.139538}, author = {Soumya, K. and Selvam, I. Packia and Vinod, C. P. and Potty, S. N.} } @article {48181, title = {Tuning the hybridization and charge polarization in metal nanoparticles dispersed over Schiff base functionalized SBA-15 enhances CO2 capture and conversion to formic acid}, journal = {Journal of Materials Chemistry A}, volume = {10}, year = {2022}, month = {SEP}, pages = {18354-18362}, type = {Article}, abstract = {

Different Schiff base functionalized SBA-15 materials were synthesized through condensation reactions between 3-aminopropyltriethoxysilane (APTES) and different aldehydes (glutaraldehyde and butyraldehyde) over a mesoporous silica, SBA-15 (APTES-GLU/SBA-15 and APTES-BUT/SBA-15). Both static and dynamic experiments have been used for testing the CO2 capture efficiency of these materials. The hybridization of the N atom in APTES has been tuned from sp(3) to sp(2) upon condensation facilitating optimum CO2 capture in the direct synthesis of APTES-GLU/SBA-15. The undesirable oxides of nitrogen have been removed during the synthesis process to improve the CO2 capture efficiency. These materials were employed as supports for Pd-Ag and Pd-Ni bimetallic systems for the selective conversion of the captured CO2 to formic acid (FA) in 0.5 M KHCO3 solution. The Pd-Ni catalyst system exhibited enhanced CO2 to FA conversion activity compared to other heterogeneous systems, which is similar to 4 times better than that of the Pd-Ag system in this study. The X-ray absorption studies over the catalyst material confirmed that the relatively electron-deficient Ni in Pd-Ni compared to Ag in Pd-Ag favoured higher charge polarization between the metals in the Pd-Ni system enhancing the CO2 to FA conversion. The experimental observations are well supported by the DFT calculations.

}, issn = {2050-7488}, doi = {10.1039/d2ta03690h}, author = {Cherevotan, Arjun and Ray, Bitan and Yadav, Anish and Bagchi, Debabrata and Singh, Ashutosh Kumar and Riyaz, Mohd and Churipard, Sathyapal R. and Naral, Vinay and Kaur, Komalpreet and Gautam, Ujjal K. and Vinod, Chathakudath P. and Peter, Sebastian C.} } @article {47040, title = {Two antibacterial spiro compounds from the roots of Artemisia pallens wall: evidence from molecular docking}, journal = {Natural Product Research}, volume = {36}, year = {2022}, month = {MAY}, pages = {2465-2472}, type = {Article}, abstract = {

Bioassay-guided isolation from acetone extract of the roots of Artemisia pallens Wall yielded two spiro compounds (1 and 2). The structures of these compounds were determined on the basis of spectroscopic techniques such as IR, MS, 1 D and 2 D- NMR. The acetone extract, fractions and the isolated two compounds were investigated for their antibacterial activity against two gram negative (E. coli, P. aeruginosa) and two gram positive (S. aureus, B. subtilis) bacterial strains. Compound (2) showed the best spectra of activity with IC50 and MIC values between 2.48-3.08 and 12.78 - 21.77 mu M and Compound (1) with 2.57-3.69 and 38.17 - 80.57 mu M, respectively, for the four bacterial strains, whereas inactive against Mycobacterium tuberculosis. Molecular docking study could further help in understanding the various interactions between these compounds and DNA gyrase active site in detail and thereby could provide valuable insight into the mechanism of action.

}, keywords = {antibacterial activity, antimycobacterial activity, Artemisia pallens, Asteraceae, Molecular docking, spiro compound}, issn = {1478-6419}, doi = {10.1080/14786419.2021.1902325}, author = {Honmore, Varsha S. and Natu, Arun D. and Khedkar, Vijay M. and Arkile, Manisha A. and Sarkar, Dhiman and Rojatkar, Supada R.} } @article {48953, title = {Tailoring COFs: transforming nonconducting 2D layered COF into a conducting quasi-3D architecture via interlayer knitting with polypyrrole}, journal = {Journal of the American Chemical Society}, volume = {146}, year = {2023}, month = {DEC}, pages = {487-499}, type = {Journal Article}, abstract = {

Improving the electronic conductivity and the structural robustness of covalent organic frameworks (COFs) is paramount. Here, we covalently cross-link a 2D COF with polypyrrole (Ppy) chains to form a quasi-3D COF. The 3D COF shows well-defined reflections in the SAED patterns distinctly indexed to its modeled crystal structure. This knitting of 2D COF layers with conjugated polypyrrole units improves electronic conductivity from 10(-9) to 10(-2 )S m(-1). This conductivity boost is affirmed by the presence of density of states near the Fermi level in the 3D COF, and this elevates the COF{\textquoteright}s valence band maximum by 0.52 eV with respect to the parent 2D pyrrole-functionalized COF, which agrees well with the opto-electro band gaps. The extent of HOMO elevation suggests the predominant existence of a polaron state (radical cation), giving rise to a strong EPR signal, most likely sourced from the cross-linking polypyrrole chains. A supercapacitor devised with COF20-Ppy records a high areal capacitance of 377.6 mF cm(-2), higher than that of the COF loaded with noncovalently linked polypyrrole chains. Thus, the polypyrrole acts as a {\textquoteleft}{\textquoteleft}conjugation bridge{\textquoteright}{\textquoteright} across the layers, lowering the band gap and providing polarons and additional conduction pathways. This marks a far-reaching approach to converting many 2D COFs into highly ordered and conducting 3D ones.

}, keywords = {covalent organic frameworks, Electrical conductivity}, issn = {0002-7863}, doi = {10.1021/jacs.3c09937}, author = {Jain, Chitvan and Kushwaha, Rinku and Rase, Deepak and Shekhar, Pragalbh and Shelke, Ankita and Sonwani, Disha and Ajithkumar, Thalasseril G. and Vinod, Chathakudath Prabhakaran and Vaidhyanathan, Ramanathan} } @article {48819, title = {Tale of two waves: Delineating diverse genomic and transmission landscapes driving the COVID-19 pandemic in Pune, India}, journal = {Journal of Infection and Public Health}, volume = {16}, year = {2023}, month = {AUG}, pages = {1290-1300}, type = {Article}, abstract = {

Background: Modern response to pandemics, critical for effective public health measures, is shaped by the availability and integration of diverse epidemiological outbreak data. Tracking variants of concern (VOC) is integral to understanding the evolution of SARS-CoV-2 in space and time, both at the local level and global context. This potentially generates actionable information when integrated with epidemiological outbreak data.Methods: A city-wide network of researchers, clinicians, and pathology diagnostic laboratories was formed for genome surveillance of COVID-19 in Pune, India. The genomic landscapes of 10,496 sequenced samples of SARS-CoV-2 driving peaks of infection in Pune between December-2020 to March-2022, were determined. As a modern response to the pandemic, a {\textquoteleft}{\textquoteleft}band of five{\textquoteright}{\textquoteright} outbreak data analytics approach was used. This integrated the genomic data (Band 1) of the virus through molecular phylogenetics with key outbreak data including sample collection dates and case numbers (Band 2), demographics like age and gender (Band 3-4), and geospatial mapping (Band 5).Results: The transmission dynamics of VOCs in 10,496 sequenced samples identified B.1.617.2 (Delta) and BA(x) (Omicron formerly known as B.1.1.529) variants as drivers of the second and third peaks of infection in Pune. Spike Protein mutational profiling during pre and post-Omicron VOCs indicated differential rank ordering of high-frequency mutations in specific domains that increased the charge and binding properties of the protein. Time-resolved phylogenetic analysis of Omicron sub-lineages identified a highly divergent BA.1 from Pune in addition to recombinant X lineages, XZ, XQ, and XM. Conclusions: The band of five outbreak data analytics approach, which integrates five different types of data, highlights the importance of a strong surveillance system with high-quality meta-data for understanding the spatiotemporal evolution of the SARS-CoV-2 genome in Pune. These findings have important implica-tions for pandemic preparedness and could be critical tools for understanding and responding to future outbreaks.\& COPY; 2023 Published by Elsevier Ltd on behalf of King Saud Bin Abdulaziz University for Health Sciences. This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/).

}, keywords = {COVID-19, Delta, Omicron, SARS-CoV-2 genomic surveillance, Variant of concern, Whole Genome Sequencing (WGS)}, issn = {1876-0341}, doi = {10.1016/j.jiph.2023.06.004}, author = {Niveditha, Divya and Khan, Soumen and Khilari, Ajinkya and Nadkarni, Sanica and Bhalerao, Unnati and Kadam, Pradnya and Yadav, Ritu and Kanekar, Jugal B. and Shah, Nikita and Likhitkar, Bhagyashree and Sawant, Rutuja and Thakur, Shikha and Tupekar, Manisha and Nagar, Dhriti and Rao, Anjani G. and Jagtap, Rutuja and Jogi, Shraddha and Belekar, Madhuri and Pathak, Maitreyee and Shah, Priyanki and Ranade, Shatakshi and Phadke, Nikhil and Das, Rashmita and Joshi, Suvarna and Karyakarte, Rajesh and Ghose, Aurnab and Kadoo, Narendra and Shashidhara, L. S. and Monteiro, Joy Merwin and Shanmugam, Dhanasekaran and Raghunathan, Anu and Karmodiya, Krishanpal} } @article {48769, title = {Taming the parent oxoborane}, journal = {Chemical Science}, volume = {14}, year = {2023}, month = {JUN}, pages = {5894-5898}, type = {Article}, abstract = {

Despite recent advancements in the chemistry of multiply bound boron compounds, the laboratory isolation of the parent oxoborane moiety, HBO has long remained an unsolved and well-recognized challenge. The reaction of 6-SIDipp(.)BH3 [6-SIDipp = 1,3-di(2,6-diisopropylphenyl)tetrahydropyrimidine2-ylidene] with GaCl3 afforded an unusual boron-gallium 3c-2e compound (1). The addition of water to 1 resulted in the release of H-2 and the formation of a rare acid stabilized neutral parent oxoborane, LB(H)]O (2). Crystallographic and density functional theory (DFT) analyses support the presence of a terminal B=O double bond. Subsequent addition of another equivalent of water molecule led to hydrolysis of the B-H bond to the B-OH bond, but the {\textquoteleft}B=O{\textquoteright} moiety remained intact, resulting in the formation of the hydroxy oxoborane compound (3), which can be classified as a monomeric form of metaboric acid.

}, issn = {2041-6520}, doi = {10.1039/d3sc01544k}, author = {Kundu, Gargi and Amrutha, P. R. and Raj, K. Vipin and Tothadi, Srinu and Vanka, Kumar and Sen, Sakya S.} } @article {49083, title = {Targeted metabolite profiling and de novo transcriptome sequencing reveal the key terpene synthase genes in medicinally important plant, Couroupita guianensis Aubl}, journal = {Plant Genetic Resources-Characterization and Utilization}, volume = {21}, year = {2023}, month = {DEC}, pages = {558-570}, type = {Article}, abstract = {

The Lecythidaceae family tree, Couroupita guianensis Aubl, popularly known as Nagpushpa, is a widely cultivated ornamental tree with several uses in traditional medicine. The tree is revered as highly sacred in Indian traditional culture due to its uniquely shaped, fragrant flowers. Considering the significance, we were prompted to carry out the metabolite and transcriptome analysis of Nagapushpa. The flower, petals, stamen, stem and leaf of C. guianensis were metabolically profiled, and it was discovered that the flower tissue contained the highest terpenoid reservoir. A number of terpenoid pathway transcripts were also found in the flower tissue after transcriptome profiling. KEGG pathway mapping was carried out to correlate transcript sequences with the biosynthesis of different types of terpenes. We were able to clone three full-length terpene synthase gene candidates, i.e. monoterpene ocimene synthase, diterpene ent-kaurene synthase and sesquiterpene farnesene synthase. The transcript expression of selected terpene synthase genes was also verified in flower tissue. These cloned sequences were used for in silico structural investigations and protein function prediction at the level of 3D structure. The data presented in this study provide a comprehensive resource for the metabolic and transcriptomic profiles of C. guianensis. The study paves the way towards the elucidation of terpene biosynthetic pathway in C. guianensis and heterologous production of useful terpenoids in the future.

}, keywords = {Couroupita guianensis Aubl, flower, Metabolite profiling, terpene synthases, Transcriptomics}, issn = {1479-2621}, doi = {10.1017/S1479262123000953}, author = {Thulasiram, Hirekodathakallu V. and Karegaonkar, Shrikant Jagannathrao and Sharma, Poojadevi and Kumar, Ashish and Ramkumar, Sudha and Pandreka, Avinash} } @article {48786, title = {Tau aggregates improve the Purinergic receptor P2Y12-associated podosome rearrangements in microglial cells}, journal = {Biochimica Et Biophysica Acta-Molecular Cell Research}, volume = {1870}, year = {2023}, month = {JUN}, pages = {119477}, type = {Article}, abstract = {

Alzheimer{\textquoteright}s disease (AD) is a progressive neurodegenerative disease that is associated with protein misfolding, plaque accumulation, neuronal dysfunction, synaptic loss, and cognitive decline. The pathological cascade of AD includes the intracellular Tau hyperphosphorylation and its subsequent aggregation, extracellular Amyloid-\& beta; plaque formation and microglia-mediated neuroinflammation. The extracellular release of aggregated Tau is sensed by surveilling microglia through the involvement of various cell surface receptors. Among all, purinergic P2Y12R signaling is involved in microglial chemotaxis towards the damaged neurons. Microglial migration is highly linked with membrane-associated actin remodeling leading to the phagocytosis of extracellular Tau species. Here, we studied the formation of various actin structures such as podosome, lamellipodia and filopodia, in response to extracellular Tau monomers and aggregates. Microglial podosomes are colocalized with actin nucleator protein WASP, Arp2 and TKS5 adaptor protein during Tau-mediated migration. Moreover, the P2Y12 receptors were associated with F-actin-rich podosome structures, which signify the potential of Tau aggregates in microglial chemotaxis through the involvement of actin remodeling.

}, keywords = {Alzheimer {\textquoteleft}s disease, Filopodia, microglia, Podosome, Tau aggregates}, issn = {0167-4889}, doi = {10.1016/j.bbamcr.2023.119477}, author = {Chinnathambi, Subashchandrabose and Das, Rashmi and Desale, Smita Eknath} } @article {48454, title = {Template directed synthesis of boron carbon nitride nanotubes (BCN-NTs) and their evaluation for energy storage properties}, journal = {Advanced Materials Interfaces}, volume = {10}, year = {2023}, month = {JAN}, type = {Article}, abstract = {

A unique approach has been applied for the synthesis of 1D boron carbon nitride nanotubes (BCN-NTs) using MnO2 nanowires as templates. BCN-NTs have been evaluated in Na-ion batteries, Li-ion batteries, and supercapacitors as electrode material and exhibited excellent and stable electrochemical performance. BCN-NTs as an anode for Na-ion battery has been shown to be highly stable up to 3000 cycles with capacity retention of 95 mAh g(-1), at a high current density of 1 A g(-1). In the case of the Li-ion battery, these BCN-NTs show a specific capacity of 563 mAh g(-1) at a current density of 50 mA g(-1). Finally, when used as an electrode for a supercapacitor, BCN-NTs display a specific capacity of 221 F g(-1) at a current density of 3 A g(-1) and 168 F g(-1) even at a very high current density of 30 A g(-1) exemplifying the excellent rate performance. The multifunctionality and stable performance of BCN-NTs among various electrochemical energy storage systems highlight the robustness of the material and make it an excellent candidate for scalable production and commercialization.

}, keywords = {1D-nanostructure, boron carbon nitride nanotubes (BCN-NTs), Co-doping, Li-ion battery, Na-ion battery, Supercapacitors}, issn = {2196-7350}, doi = {10.1002/admi.202201560}, author = {Karbhal, Indrapal and Chaturvedi, Vikash and Yadav, Poonam and Patrike, Apurva and Shelke, Manjusha V.} } @article {48737, title = {Tetraalkylammonium-based dicationic ionic liquids (ILs) for CO2 capture}, journal = {New Journal of Chemistry}, volume = {47}, year = {2023}, month = {JUL }, pages = {12944-12954}, type = {Article}, abstract = {

This investigation includes the synthesis and characterization of a new series of ionic liquids (ILs) based on the tetraalkylammonium dication for the absorption of CO2, a step towards the development of more efficient and sustainable technologies. It was possible to synthesize amine-substituted PEG diacrylate by modifying poly(ethylene glycol) (PEG), which was then quaternized with 1-bromopentane to produce the IL PDBr. The other IL products, PDNTf2, PDBF4 and PDPF6, were synthesized via the metathesis of PDBr with the appropriate salt. The synthesized products were characterized using various techniques, such as FTIR, H-1 and C-13 NMR, elemental analysis, and density and viscosity meters, and evaluated as potential sorbents for CO2 capture. DSC and TGA were used to examine the thermal properties of the ILs. As observed from their thermal degradation behavior, the ILs exhibited two-stage disintegration with thermal stability up to 150 \& DEG;C. The pressure drop method was used to study the sorption capacity of the ILs towards CO2. The sorption investigation showed that when the pressure is increased, the CO2 absorption increases. Equilibrium is reached in 40 minutes, demonstrating a rapid absorption rate. The IL with the [BF4](-) anion (PDBF4) demonstrated a maximum sorption capacity of 0.577 mole fraction of CO2, and can be regenerated and reused efficiently with less than 0.5\% variation from its original absorption capacity. The CO2 absorption capacity for the ILs with other anions follows the trend: Br \& AP; NTf2 \< PF6 \< BF4. This work shows that tetraalkylammonium-based dicationic ILs are adaptable, making them a suitable material for many applications, including sustainable CO2 capture technology.

}, issn = {1144-0546}, doi = {10.1039/d3nj01552a}, author = {Kulkarni, Prashant S. and Ranjane, Prathamesh and Mishra, Karun and Sundararajan, Swati and Kamble, Sanjay} } @article {48307, title = {TGF-beta 1 signalling in Alzheimer{\textquoteright}s pathology and cytoskeletal reorganization: a specialized Tau perspective}, journal = {Journal of Neuroinflammation}, volume = {20}, year = {2023}, month = {MAR}, pages = {72}, type = {Review}, abstract = {

Microtubule-associated protein, Tau has been implicated in Alzheimer{\textquoteright}s disease for its detachment from microtubules and formation of insoluble intracellular aggregates within the neurons. Recent findings have suggested the expulsion of Tau seeds in the extracellular domain and their prion-like propagation between neurons. Transforming Growth Factor-beta 1 (TGF-beta 1) is a ubiquitously occurring cytokine reported to carry out immunomodulation and neuroprotection in the brain. TGF-beta-mediated regulation occurs at the level of neuronal survival and differentiation, glial activation (astrocyte and microglia), amyloid production-distribution-clearance and neurofibrillary tangle formation, all of which contributes to Alzheimer{\textquoteright}s pathophysiology. Its role in the reorganization of cytoskeletal architecture and remodelling of extracellular matrix to facilitate cellular migration has been well-documented. Microglia are the resident immune sentinels of the brain responsible for surveying the local microenvironment, migrating towards the beacon of pertinent damage and phagocytosing the cellular debris or patho-protein deposits at the site of insult. Channelizing microglia to target extracellular Tau could be a good strategy to combat the prion-like transmission and seeding problem in Alzheimer{\textquoteright}s disease. The current review focuses on reaffirming the role of TGF-beta 1 signalling in Alzheimer{\textquoteright}s pathology and cytoskeletal reorganization and considers utilizing the approach of TGF-beta-triggered microglia-mediated targeting of extracellular patho-protein, Tau, as a possible potential strategy to combat Alzheimer{\textquoteright}s disease.

}, keywords = {Alzheimer{\textquoteright}s disease, Cytoskeleton reorganization, Extracellular Tau, microglia, TGF-beta, TGF-beta 1}, doi = {10.1186/s12974-023-02751-8}, author = {Kapoor, Mahima and Chinnathambi, Subashchandrabose} } @article {48809, title = {Theory-directed designing of an intrinsic-activity-modulated metal-doped copper oxide electrode for nitrate to ammonia synthesis}, journal = {ACS Applied Energy Materials}, volume = {6}, year = {2023}, month = {MAY}, pages = {6111-6119}, type = {Article}, abstract = {

Synthesis of ammonia via electrochemical reduction ofnitrate isone of the most sustainable routes both for environmental protectionas well as energy saving initiatives. However, this process is limitedto the development of high-performance free-standing catalytic electrodeswith improved selectivity and Faradaic efficiency. Herein, we reporttheory-guided designing and fabrication of free-standing non-noblemetal (Mn, Fe, and Co)-doped copper oxide (CuO) electrodes by usinga simple and scalable electrode preparation method. The density functionaltheory (DFT)-based calculations show that the doped-Co sites in theCu surface facilitate the generation and supply of H+ tothe adsorbed NO3 (-) during the reductionprocess; as a result, the Co-CuO catalyst displays higher selectivitytoward nitrate reduction. The Co-doped Cu electrode (Co-CuO)delivers a higher NH3 yield (5492 mu g cm(-2)) at a reduction potential of -0.91 V vs RHE while maintaininga Faradaic efficiency of \>95\%. The alloying of Co to the coppermetalnot only facilitates the proton donation to the adsorbed reactant(NO3 (-)) but also tunes the Cu d-center,resulting in the active site modulation responsible for the activationof catalysts.

}, keywords = {Active sites, ammonia synthesis, electrocatalysis, Faradaic efficiency, High selectivity, metal-doped electrode}, issn = {2574-0962}, doi = {10.1021/acsaem.3c00617}, author = {Tyagi, Nitin Kumar and Mahapatra, Bikash K. and Ghimire, Suvash and Manna, Narugopal and Kumar, Deepak and Kumar, Vijay and Mukhopadhyay, Kausik and Singh, Santosh K.} } @article {48758, title = {Thermally activated delayed fluorescent solvent-free organic liquid hybrids for tunable emission applications}, journal = {Chemistry-An Asian Journal}, volume = {18}, year = {2023}, month = {JUL }, type = {Article}, abstract = {

The synthetic feasibility and excellent luminescence features of organic molecules attracted much attention and were eventually found useful in lighting applications. In this context, a solvent-free organic liquid having attractive thermally activated delayed fluorescence features in bulk along with high processability has prime importance. Herein, we report a series of naphthalene monoimide-based solvent-free organic liquids exhibiting cyan to red thermally activated delayed fluorescence with luminescence quantum yields up to 80\% and lifetimes between 10 to 45 mu s. An effective approach explored energy transfer between liquid donors with various emitters exhibiting tunable emission colors, including white. The high processability of liquid emitters improved the compatibility with polylactic acid and was used for developing multicolor emissive objects using 3D printing. Our demonstration of the thermally activated delayed fluorescence liquid will be much appreciated as a processable alternate emissive material suitable for large-area lighting, display, and related applications.

}, keywords = {3D printing, Energy Transfer, OLED, Organic Liquids, TADF}, issn = {1861-4728}, doi = {10.1002/asia.202300276}, author = {Nidhankar, Aakash D. D. and Goudappagouda and Kothavade, Premkumar D. and Dongre, Sangram D. and Veer, Sairam Dnyaneshwar and Dash, Soumya Ranjan and Rajeev, Kavya and Unni, K. N. Narayanan and Shanmuganathan, Kadhiravan and Babu, Sukumaran Santhosh} } @article {48332, title = {Thermally constructed stable Zn-doped NiCoOx-z alloy structures on stainless steel mesh for efficient hydrogen production via overall hydrazine splitting in alkaline electrolyte}, journal = {Journal of Colloid and Interface Science}, volume = {640}, year = {2023}, month = {JUN }, pages = {737-749}, type = {Article}, abstract = {

Hydrogen has a high energy density of approximately 120 to 140 MJ kg(-1), which is very high compared to other natural energy sources. However, hydrogen generation through electrocatalytic water splitting is a high electricity consumption process due to the sluggish oxygen evolution reaction (OER). As a result, hydrogen generation through hydrazine-assisted water electrolysis has recently been intensively investigated. The hydrazine electrolysis process requires a low potential compared to the water electrolysis process. Despite this, the utilization of direct hydrazine fuel cells (DHFCs) as portable or vehicle power sources necessitates the development of inexpensive , effective anodic hydrazine oxidation catalysts. Here, we prepared oxygen-deficient zinc-doped nickel cobalt oxide (Zn-NiCoOx-z) alloy nanoarrays on stainless steel mesh (SSM) using a hydrothermal synthesis method followed by thermal treatment. Furthermore, the prepared thin films were used as electrocatalysts , the OER and hydrazine oxidation reaction (HzOR) activities were investigated in three-and two-electrode systems. In a three-electrode system, Zn-NiCoOx-z/SSM HzOR requires-0.116 V (vs RHE) potential to achieve a 50 mA cm(-2) current density, which is dramatically lower than the OER potential (1.493 V vs RHE). In a two-electrode system (Zn-NiCoOx-z/SSM(-)IIZn-NiCoOx-z/SSM(+)), the overall hydrazine splitting potential (OHzS) required to reach 50 mA cm(-2) is only 0.700 V, which is dramatically less than the required potential for overall water splitting (OWS). These excellent HzOR results are due to the binder-free oxygen-deficient Zn-NiCoOx-z/ SSM alloy nanoarray, which provides a large number of active sites and improves the wettability of cat-alysts after Zn doping. (C) 2023 Elsevier Inc. All rights reserved.

}, keywords = {Hydrazine Oxidation Reaction, hydrogen evolution reaction, Oxygen Evolution Reaction, Oxygen-Deficient Materials, Zinc Doping}, issn = {0021-9797}, doi = {10.1016/j.jcis.2023.02.142}, author = {Kashale, Anil Ashok and Rasal, Akash Sanjay and Hsu, Fei-Chien and Chen, ChangChun and Kulkarni, Sayali Nitin and Chang, Chun Hao and Chang, Jia-Yaw and Lai, Yuekun and Chen, I. -Wen Peter} } @article {48725, title = {Thermodynamic modulation of folding and aggregation energy landscape by DNA binding of functional domains of TDP-43}, journal = {Biochimica Et Biophysica Acta-Proteins and Proteomics}, volume = {1871}, year = {2023}, month = {JUL }, pages = {140916}, type = {Article}, abstract = {

TDP-43 is a vital nucleic acid binding protein which forms stress-induced aberrant aggregates in around 97\% cases of ALS, a fatal neurodegenerative disease. The functional tandem RRM domain of the protein (TDP-43tRRM) has been shown to undergo amyloid-like aggregation under stress in a pH-dependent fashion. However, the underlying thermodynamic and molecular basis of aggregation and how the energy landscape of folding, stability, and aggregation are coupled and modulated by nucleic acid binding is poorly understood. Here, we show that the pH stress thermodynamically destabilizes the native protein and systematically populates the unfoldedlike aggregation-prone molecules which leads to amyloid-like aggregation. We observed that specific DNA binding inhibits aggregation and populates native-like compact monomeric state even under low-pH stress as measured by circular dichroism, ANS binding, size exclusion chromatography, and transmission electron microscopy. We show that DNA-binding thermodynamically stabilizes and populates the native state even under stress and reduces the population of unfolded-like aggregation-prone molecules which leads to systematic aggregation inhibition. Our results suggest that thermodynamic modulation of the folding and aggregation energy landscape by nucleic-acid-like molecules could be a promising approach for effective therapeutic intervention in TDP-43-associated proteinopathies.

}, keywords = {Amyloid-like aggregation, Nucleic acid binding, RNA recognition motifs (RRMs), TDP-43, Thermodynamic stability}, issn = {1570-9639}, doi = {10.1016/j.bbapap.2023.140916}, author = {Patni, Divya and Jha, Santosh Kumar} } @article {48986, title = {Ti3C2Tx-Nb2Mo3O14 composite as novel anode to realize high power density combined with high stability in a hybrid lithium-ion capacitor}, journal = {Energy Technology }, volume = {11}, year = {2023}, month = {DEC}, type = {Article}, abstract = {

Lithium-ion capacitors (LICs), with their higher energy density at high power capability, stand out as the future generation of energy-storage devices. Herein, the nanocomposite of Ti3C2Tx MXene with Nb2Mo3O14 is prepared by a one-step hydrothermal method and studied as an electrode material for LIC. The asfabricated composite MXene niobium molybdenum oxide (MXNMO) achieves a high reversible capacity of 205 mAh g(-1) at 100 mA g(-1) current density with outstanding cyclability. Further, asymmetric LIC full-cell device composed of MXNMO anode with supercapacitor grade activated carbon as a cathode delivers an energy density of 37.8 Wh kg(-1) (0.25 A g(-1)) and a higher power density of 4244 W kg(-1) (5 A g(-1)) along with the excellent durability showing 85\% capacitance retention over 4000 cycles at 0.5 A g(-1).

}, keywords = {lithium-ion capacitors, MXene, niobium molybdenum oxides, pseudocapacitive anode materials}, issn = {2194-4288}, doi = {10.1002/ente.202300298}, author = {Pawar, Meenakshi D. and Thripuranthaka, Marulasiddappa and Patrike, Apurva and Deshmukh, Ashvini B. and Chaturvedi, Vikash and Krishnan, Arun and Shivade, Rajkiran and Shelke, Manjusha V.} } @article {48262, title = {Ti-iminocarboxylate catalyzed polymerization of ethylene to highly crystalline, disentangled, ultrahigh molecular weight polyethylene}, journal = {European Polymer Journal}, volume = {182}, year = {2023}, month = {JAN }, pages = {111725}, type = {Article}, abstract = {

Disentangled ultrahigh molecular weight polyethylene (d-UHMWPE) is a niche, highly sought-after, and an emerging class of polyethylene. However, the synthesis of d-UHMWPE is uncommon and is equally challenging. Here, we report a Ti-iminocarboxylate complex that produces d-UHMWPE under ambient polymerization conditions. Treatment of tetrakis(dimethylamido-titanium) [Ti(NMe2)4] with 2-((4-methoxybenylidene)amino)benzoic acid produced a novel titanium complex Cat.1 [bis-dimethylamido-Ti-(bis-iminocarboxylate)]. The identity of Cat.1 was unambiguously ascertained using a combination of 1-2D NMR spectroscopy and mass analysis. Cat.1 was activated using various cocatalysts, and MMAO (modified methylaluminoxane) outperformed the others. Screening of polymerization parameters suggested an Al/Ti ratio of 1000, 4 bar ethylene pressure, 35 degrees C temperature, and a polymerization time of 30 min as the optimal condition. Under the optimized polymerization conditions, Cat.1 polymerizes ethylene to ultrahigh molecular weight polyethylene with a weight average molecular weight (Mw) of 2.5 x 106 g/mol. The thermal behavior of the thus prepared material disclosed a highly crystalline [crystallinity chi (DSC) 96 \%], strictly linear polyethylene. Detailed thermal analysis of the nascent polyethylene using a specifically designed DSC method revealed the existence of a high melting peak at 139-140 degrees C, which is a hallmark of disen-tangled UHMWPE. Thus, a homogeneous, single-site ethylene polymerization catalyst has been developed, which upon activation with MMAO produced highly crystalline d-UHMWPE.

}, issn = {0014-3057}, doi = {10.1016/j.eurpolymj.2022.111725}, author = {Bodkhe, Dnyaneshwar V. and Chikkali, Samir H.} } @article {48342, title = {Titanium trisulfide nanosheets and nanoribbons for field emission- based nanodevices}, journal = {ACS Applied Nano Materials}, volume = {6}, year = {2023}, month = {JAN}, pages = {44-49}, type = {Article}, abstract = {

The field emission (FE) properties of TiS3 nanosheets and nanoribbons, synthesized by direct sulfuration of bulk titanium, are investigated. The nanosheets show an enhanced FE behavior with a low turn-on field of similar to 0.3 V/ mu m, required for drawing an emission current density of similar to 10 mu A/cm2. Interestingly, the TiS3 nanosheet emitter delivered a large emission current density of similar to 0.9 mA/ cm2 at a relatively low applied electric field of similar to 0.4 V/mu m. We have estimated the values of the field enhancement factor (beta), which are found to be similar to 5 x 104 for the TiS3 nanosheet emitter and similar to 4 x 103 for the nanoribbon emitter. We attribute the superior FE performance to the presence of atomically sharp edges and the reduced thickness of TiS3, as reflected in the high value of beta. In fact, the nanosheet sample presents a higher density of ultrathin layers (similar to 12 nm-thick), and thus, they have a larger edge to volume ratio than the nanoribbon samples (which are similar to 19 nm-thick). The superior FE behavior of TiS3 nanosheets over nanoribbons makes them a propitious field emitter and can be utilized for various FE-based applications, demanding large emission currents and lower operational voltages. Moreover, the FE current stability recorded on these samples confirms their promising performance. Thus, the present investigation brings out a great promise of TiS3 nanosheets and nanoribbons as field emitters for vacuum nanoelectronics devices.

}, keywords = {Current stability, field emission, nanoribbon, nanosheets, TiS3}, doi = {10.1021/acsanm.2c03460}, author = {Pawbake, Amit S. and Khare, Ruchita T. and Island, Joshua O. and Flores, Eduardo and Ares, Jose R. and Sanchez, Carlos and Ferrer, Isabel J. and Pawar, Mahendra and Frank, Otakar and More, Mahendra A. and van der Zant, Herre S. J. and Castellanos-Gomez, Andres and Late, Dattatray J.} } @article {48773, title = {Topological phases in nanoparticle monolayers: can crystalline, hexatic, and isotropic-fluid phases coexist in the same monolayer?}, journal = {Soft Matter}, volume = {19}, year = {2023}, month = {OCT }, pages = {7271-7280}, type = {Article}, abstract = {

Topological phases are stable configurations of matter in 2-dimensions (2D) formed via spontaneous symmetry breaking. These play a crucial role in determining the system properties. Though a number of fundamental studies on topological phase transitions and topological defect dynamics have been conducted with model colloidal systems (typically microns in size), the same is lacking on nanoparticle monolayers (NPMLs, typically made of ligand-coated sub-ten nanometer particles). Here, we show that in an evaporation-driven self-assembly process, the three topological phases, namely crystalline, hexatic, and isotropic-fluid phases, can coexist within the same NPML. We associate this coexistence with the local variation in particle size, which can be described by a unique frequency parameter (p(25)), quantifying the fraction of NPs that has size deviation greater than or equal to 25\% of the mean size (where the deviation,f is defined as f = ((|Size-mean|)/mean)). The p(25)-values for the three phases are distinctly different: crystalline arrangement occurs when p(25) \< similar to 0.02, while a hexatic phase exists for 0.02 \<= p(25) \<= 0.1. For p(25) Z 0.1, the isotropic-fluid phase occurs. Following KTHNY-theory, we further numerically extrapolate the occurrence of each phase to the accumulated excess planar strain in the NPML due to the presence of various topological defects in the structures.

}, issn = {1744-683X}, doi = {10.1039/d3sm00290j}, author = {Bhattacharjee, Kaustav and Vaidya, Salil S. and Pathak, Tushar and Shimpi, Jayesh R. and Prasad, Bhagavatula L. V.} } @article {48788, title = {Total and diverted total synthesis of pyrrolo-quinazolinone alkaloids and their analogues}, journal = {ChemistrySelect}, volume = {8}, year = {2023}, month = {SEP }, pages = {e202301818}, type = {Article}, abstract = {

A short and expeditious total and diverted total synthesis of luotonin, vasicinone, and their analogues has been achieved from the key tricyclic quinazolinone intermediate which was accessed from simple substituted anthranilamide obtained from the coupling of \& beta;-alanate with isatoic anhydride followed by Dieckmann condensation chemistry of the resulting diester. The tricyclic ketone exhibited interesting chemical properties, e. g. keto-enol tautomerism. Friedlander condensation and Fischer-Indolization were employed for further annulations to access polycyclic alkaloids and their analogues. A short and expeditious total and diverted total synthesis of Luotonin, Vasicinone, and their analogues has been achieved from the key tricyclic quinazolinone ketone that was accessed via Dieckmann condensation chemistry of the diester which was in turn obtained from the isatoic anhydride followed by cyclodehydration. The keto-enol tautomerism of the tricyclic ketone has been studied through 1H NMR. Friedlander condensation and Fischer-Indolization were employed for further annulations on to the tricyclic ketone to yield luotonins and nor-rutaecarpines in good yields.image

}, keywords = {Luotonin, Quinazolinone, Rutaecarpine, Total synthesis, Vasicinone}, issn = {2365-6549}, doi = {10.1002/slct.202301818}, author = {Rasapalli, Sivappa and Huang, Yanchang and Sammeta, Vamshikrishna Reddy and Alshehry, Reem and Anver, Fazmina and Shivasankar, Krishnamoorthy and Chavan, Subash P.} } @article {48801, title = {Total synthesis and absolute configuration determination of the α-glycosidase inhibitor (3S,4R)-6-Acetyl-3-hydroxy-2,2-dimethylchroman-4-yl (Z)-2-Methylbut-2-enoate from Ageratina grandifolia}, journal = {Journal of Natural Products}, volume = {86}, year = {2023}, month = {JUN}, pages = {1878-1883}, type = {Article}, abstract = {

Herein, we report the first total synthesis of \& alpha;-glycosidaseinhibitor (3R, 4S)-6-acetyl-3-hydroxy-2,2-dimethylchroman-4-yl(Z)-2-methylbut-2-enoate as well as its enantiomer.Our synthesis confirms the chromane structure separately proposedby Navarro-Vazquez and Mata, on the basis of DFT computations. Furthermore,our synthesis allowed us to determine the absolute configuration ofthe natural compound as (3S, 4R)and not (3R, 4S).

}, issn = {0163-3864}, doi = {10.1021/acs.jnatprod.3c00236}, author = {Dandawate, Monica and Choudhury, Rahul and Krishna, Gamidi Rama and Reddy, D. Srinivasa} } @article {48668, title = {Total synthesis, structure elucidation and expanded bioactivity of icosalide A: effect of lipophilicity and ester to amide substitution on its bioactivity}, journal = {Organic \& Biomolecular Chemistry}, volume = {21}, year = {2023}, month = {JUL}, pages = {5725-5731}, type = {Article}, abstract = {

The first total synthesis of icosalide A, an antibacterial depsipeptide that is unique in that it contains two lipophilic beta-hydroxy acids, has been achieved by following Fmoc solid-phase peptide synthesis in combination with solution-phase synthesis. The ambiguity in the absolute stereochemistry of icosalide A has been resolved by synthesizing the reported structures and other relevant diastereomers of icosalides and comparing their NMR data. NMR-based structure elucidation of icosalide A revealed a well-folded structure with cross-strand hydrogen bonds similar to the anti-parallel beta-sheet conformation in peptides and displayed a synergistic juxtaposition of the aliphatic sidechains. 12 analogues of icosalide A were synthesized by varying the constituent lipophilic beta-hydroxy acid residues, and their biological activities against Bacillus thuringiensis and Paenibacillus dendritiformis were explored. Most of these icosalide analogues showed an MIC of 12.5 \& mu;g mL(-1) against both bacteria. Swarming inhibition by icosalides was least in B. thuringiensis (8.3\%) compared to that in P. dendritiformis (33\%). Furthermore, this is the first report of icosalides showing assured inhibitory action (MIC between 2 and 10 \& mu;g mL(-1)) against the active stage of Mycobacterium tuberculosis and cancer cell lines such as HeLa and ThP1. This study could help optimize icosalides for anti-TB, antibacterial, and anti-cancer activities.

}, issn = {1477-0520}, doi = {10.1039/d3ob00809f}, author = {Dangi, Abha and Pande, Bharat and Agrawal, Sonia and Sarkar, Dhiman and Vamkudoth, Koteswara Rao and Marelli, Udaya Kiran} } @article {48806, title = {Transient response to perturbations in flow synthesis of citrate capped gold nanoparticles}, journal = {Biochemical Engineering Journal}, volume = {470}, year = {2023}, month = {AUG}, pages = {143890}, type = {Article}, abstract = {

This work reports the transient behavior of continuous flow synthesis of gold nanoparticles (Au NPs) when subjected to perturbations in operating conditions using controlled experiments. The intricacies are captured through a detailed mathematical model. Reversed Turkevich protocol was used for synthesis of Au NPs. The synthesis was first studied in batch mode to investigate the reaction kinetics and reproducibility of the process. The optimal set of operating conditions viz., residence time, flow rate, temperature was then used for flow synthesis in a 2 m, 1/16 \& DPRIME;Polytetrafluoroethylene (PTFE) reactor with micromixer. Reactor clogging was avoided by using segmented flow. Inline UV measurement was used for real time monitoring of the process. Transient experiments were performed by abruptly changing the operating conditions. A mathematical model was found to be accurate in predicting the transient behavior of the exit precursor concentration and the particle size for unsteady state synthesis. Even a small change in process variables for short duration was found to disturb the quality of Au NPs for a significantly longer duration. Of the three operating parameters, the effect of temperature variation was seen to have a prolonged effect where the system remained in unsteady state for long time.

}, keywords = {continuous flow synthesis, gold nanoparticles, Particle size, segmented flow, Unsteady behavior}, issn = {1385-8947}, doi = {10.1016/j.cej.2023.143890}, author = {Bari, Atul H. and Shukla, Neerja and Gavriilidis, Asterios and Kulkarni, Amol A.} } @article {48306, title = {Trehalose transporter-like gene diversity and dynamics enhances stress response and recovery in Helicoverpa armigera}, journal = {Gene}, volume = {862}, year = {2023}, month = {APR}, pages = {147259}, type = {Article}, abstract = {

Trehalose is a primary sugar and its distribution across the insect body, regulated by trehalose transporters (TRETs), is essential for sugar metabolism and energy homeostasis. The large diversity of Tret-like sugar trans-porters (ST), belonging to SLC2A transporter family, in polyphagous insects probably contributes to their extremely adaptive nature. We aim to study spatio-temporal expression dynamics and functional relevance of ST transcript variants in the lepidopteran model organism, Helicoverpa armigera. Identification of 69 putative Tret-like HaST transcript variants from databases and their digital gene expression analysis indicated tissue and development-specific expression patterns. Phylogenetic and sequence similarity network analysis of HaSTs signify evolutionary divergence, while motif and structure analysis depicted conserved signatures. In vitro gene expression validation for selected genes depicts that HaST09 and 69 are fat body and haemolymph-specific. While, HaST06, 30, 36 and 57 are developmental stage or sex-specific. HaST69 has high expression in the haemolymph of fifth instar larvae. In the presence of trehalose metabolism inhibitors and abiotic stress, HaSTs expression show dysregulation, indicating their possible association with trehalose metabolism and stress re-covery. In vivo gene silencing of HaST69 resulted in reduced trehalose accumulation in the insect body, sug-gesting its plausible role in sugar metabolism. The overall understanding of HaST diversity and expression dynamics highlights their putative roles in sugar transport during adaptation and stress recovery of insects.

}, keywords = {Gene expression, Helicoverpa armigera, Stress, Transporter-like, trehalose}, issn = {0378-1119}, doi = {10.1016/j.gene.2023.147259}, author = {Tellis, Meenakshi B. and Chaudhari, Bhagyashri Y. and Deshpande, Shweta V. and Nikam, Sanika V. and Barvkar, Vitthal T. and Kotkar, Hemlata M. and Joshi, Rakesh S.} } @article {49318, title = {Tailoring helical ends of π-extended [6]heterohelicenes to control optical, and electrochemical features}, journal = {Chemical Communications}, volume = {60}, year = {2024}, month = {OCT }, pages = {11944-11947}, type = {Article}, abstract = {

The inherent helical chirality and improved pi-stacking capabilities endow helicenes with fascinating photophysical characteristics when decorated with lateral pi-extensions. Here, we report the synthesis and physicochemical characterization of expanded hetero[6]helicenes fused with thiadiazole and selenadiazole rings at the helical ends. Comparing these heterohelicenes revealed the impact of the heteroatom-embedded aromatic rings on the excited state and redox features. A small structural variation of the terminal rings from thiadiazole to selenadiazole caused a striking change in the heterohelical nanographenes. The inherent helical chirality and improved pi-stacking capabilities endow helicenes with fascinating photophysical characteristics when decorated with heteroatoms.

}, issn = {1359-7345}, doi = {10.1039/d4cc03707c}, author = {Kumar, Viksit and Dongre, Sangram D. and Venugopal, Geethu and Narayanan, Aswini and Babu, Sukumaran Santhosh} } @article {49653, title = {Tailoring hydrogen evolution reaction with single-atom catalysts on Ti2B MBenes: Insights from computational screening}, journal = {International Journal of Hydrogen Energy}, volume = {77}, year = {2024}, month = {AUG}, pages = {479-485}, type = {Article}, abstract = {

The utilization of single-atom catalysts (SACs) in the context of the Hydrogen Evolution Reaction (HER) holds significant promise for advancing electrocatalysis. Upon implantation or anchoring on two-dimensional (2D) materials, these catalysts exhibit improved stability, selectivity, and reactivity. This study uses density functional theory-based computational techniques to demonstrate the potential of SACs embedded on novel 2D materials, such as MBenes. To assess their HER activity, the transition metals (TMs) are screened as SACs embedded in Ti2B monolayer. Our results indicate that the inclusion of a single TM can finely adjust hydrogen adsorption, resulting in a characteristic volcano-like pattern, and particularly Pd-Ti2B emerges as a standout candidate, with an optimal Gibbs free energy of -0.057 eV. Moreover, Pd-Ti2B exhibits a notable exchange current density of 1.25 x 10(-4) Acm(-2) surpassing that of numerous traditional metal catalysts, including Pt(111), by approximately 105\%. Furthermore, we underscore the electronic characteristics contributing to the extraordinary electrocatalytic activity of a single TM atom encased in Ti2B, viz., Pd-Ti2B, for HER. This study contributes greatly to our understanding of electrocatalytic processes and facilitates the development of potent MBenes-based catalysts for hydrogen evolution.

}, keywords = {electrocatalyst, First-principles study, HER, MBenes, single atom catalyst}, issn = {0360-3199}, doi = {10.1016/j.ijhydene.2024.06.141}, author = {Shukla, Aarti} } @article {49186, title = {Taming XeO3 with aza-crowns: computational studies into σ-hole mediated host-guest interactions}, journal = {ChemPhysChem}, volume = {25}, year = {2024}, month = {SEP}, pages = {e202400302}, type = {Article}, abstract = {

Various aza-crowns with different sizes and substituents have been explored computationally as potential hosts for stabilizing the explosive guest xenon trioxide (XeO3) through sigma-hole-mediated aerogen bonding interactions. Interestingly, aza-crowns demonstrate superior binding towards XeO3 compared to their oxygen and thio counterparts. However, unlike the latter cases, where the binding was found to be increasingly favorable with the increase in the size of the crowns, aza-crowns exhibit a variable size preference for XeO3, peaking with aza-15-crown-5, and reducing thereafter with increase in crown size.

}, keywords = {aza-crowns, host-guest systems, noncovalent interactions, sigma (sigma) hole, Xenon}, issn = {1439-4235}, doi = {10.1002/cphc.202400302}, author = {Dash, Soumya Ranjan and Vanka, Kumar} } @article {49388, title = {Temperature-controlled hydrothermal synthesis of α-MnO2 nanorods for catalytic oxidation of cyclohexanone}, journal = {CHEMPLUSCHEM}, volume = {89}, year = {2024}, month = {JUL}, type = {Journal Article}, keywords = {Adipic Acid, conversion, MANGANESE OXIDES}, issn = {2192-6506}, doi = {10.1002/cplu.202300589}, author = {Jha, Ratnesh Kumar and Manikandan, Marimuthu and Prabu, Marimuthu and Vineeth, Nidhi R. and Dharmalingam, Praveen and Archana, Ramakrishnan and Harsha, Murudappa and Shankar, Sonu Ram and Bhatte, Kushal and Raja, Thirumalaiswamy} } @article {49356, title = {Temperature-programmed reduction method for stabilization of the inorganic framework of SAPO-37 materials: promising catalysts for MTBE production}, journal = {Chemical Communications}, volume = {60}, year = {2024}, month = {AUG}, type = {Article}, abstract = {

A temperature-programmed reduction method was developed to stabilize SAPO-37 and molybdenum-(oxy)-carbide-loaded SAPO-37 (SAP-37MoCR). The inorganic framework (Faujasite type SAPO-37) was retained for the first time even after treatment at 550 degrees C and was confirmed through powder XRD and SEM analysis. SAP-37MoCR exhibits strong acidic sites and is a promising catalyst for MTBE synthesis. Furthermore, the catalyst is stable and recyclable. Temperature-programmed reduction (TPR) is a new method of stabilising inorganic framework materials, viz., SAPO-37-type zeolite. The template could be converted into intermediate carbide species with metal ions.

}, issn = {1359-7345}, doi = {10.1039/d4cc01839g}, author = {Shabana, K. Khadheejath and Narendranath, Soumya B. and Nimisha, N. P. and Venkatesha, N. J. and Sheetal, G. and Sakthivel, A.} } @article {49390, title = {Template-asisted visible light-induced [2+2] photodimerization in a pseudopolymorphic binary solid: topotactic transformation vs photoinduced crystal melting}, journal = {CRYSTAL GROWTH \& DESIGN}, volume = {24}, year = {2024}, month = {MAY }, pages = {5193-5199}, type = {Journal Article}, keywords = {CATION-PI INTERACTIONS, SINGLE-CRYSTAL, STATE PHOTODIMERIZATION, Supramolecular}, issn = {1528-7483}, doi = {10.1021/acs.cgd.4c00426}, author = {Ahsan, Mollah Rohan and Varma, Harshit and Mishra, Manish Kumar and Mukherjee, Arijit} } @article {49339, title = {Tensile nanostructured hierarchically porous non-precious transition metal-based electrocatalyst for durable anion exchange membrane-based water electrolysis}, journal = {Journal of Colloid and Interface Science}, volume = {664}, year = {2024}, month = {JUN }, pages = {389-399}, type = {Article}, abstract = {

Electrochemical water electrolysis is a promising method for sustainable hydrogen production while transiting towards hydrogen economy. Among many, the Anion Exchange Membrane (AEM) based water electrolyzer is an emerging yet potentially affordable technology on maturity for producing large-scale hydrogen accommodating the usage of Non-Platinum Group Metal (non-PGM) based inexpensive electrocatalysts. Herein, we demonstrate the excellent performance of a bifunctional Nickel Copper Phosphide-Nickel sulphide (NCP-NS) electrocatalyst with a unique tensile nanostructure obtained via a facile, controlled ambient galvanic displacement route. An AEM electrolyzer with a larger active area of 10 cm(2) stacked with the symmetric NCP-NS electrodes and a membrane demonstrates scalability with a requirement of a mere 1.66 V to reach a current density of 10 mA cm(-2). The nickel-copper phosphide boosts the kinetics of charge transfer between the electrode and electrolyte interface, while a unique combination of a few nickel sulphide phases present in the catalyst provides sufficiently appropriate active sites for the overall water electrolysis. For the first time, we report a room temperature performance of similar to 230 mA cm(-2) at 2 V for a non-PGM-based bifunctional electrocatalyst with exceptional durability for over 300 h of operation in an AEM water electrolyser with a retention rate of 95 \%-97 \% at a current density range of 80-800 mA cm(-2).

}, keywords = {AEM electrolyzer, Bifunctionality, Electrodeposition, Non-PGM based Electrocatalyst, stability}, issn = {0021-9797}, doi = {10.1016/j.jcis.2024.02.170}, author = {Singh, Kailash and Selvaraj, Kaliaperumal} } @article {49335, title = {Thermally stable P-chiral supramolecular phosphines, their self-assembly and implication in Rh-catalyzed asymmetric hydrogenation}, journal = {Chemistry-A European Journal}, volume = {30}, year = {2024}, month = {AUG }, type = {Article}, abstract = {

P-chiral supramolecular phosphine ligands are crucial for asymmetric transformations, but their synthesis is tedious. We report a one-step synthesis of thermally stable P-chiral supramolecular phosphines and their performance in the asymmetric hydrogenation of functionalized alkenes. A rational designing and synthesis of (R, R)-QuinoxP* ligated palladium complex (Pd-2) in excellent yield is reported. This Pd-2 catalyzed a direct P-C coupling of 2,3-dihydro-1-H-phosphindole (A1)/1,2,3,4-tetrahydrophosphindoline (A2) with 1-(3-iodophenyl)urea (B1)/2-iodo /6-hydroxy pyridine (B2) and,produced corresponding ligands L1-L3. The P-C coupling between A1 and B2 produced 6-(2,3-dihydro-1H-phosphindol-1-yl)pyridine-2(1H)-one (L2) with an excellent enantiomeric excess of up to 99 \%. L2 was found to be remarkably stable even at 150 degrees C and did not oxidize/hydrolyze for at least 24 hours in open air. Such thermal stability and an impediment to oxidation are unprecedented. L2 self-assembled and produced L2-C1 (Pt), L2-C2(Pd), and L2-C3(Rh) assemblies. The utility of the self-assembled P-chiral ligand was demonstrated in the Rh-catalyzed asymmetric hydrogenation (AH) of functionalized olefins. The L2-C3 catalyzed AH of functionalized alkenes and delivered chiral products with excellent enantioselectivity of \>99 \%. A small library of 16 substrates was subjected to AH using L2-C3 to produce chiral compounds with excellent conversion and ee.

}, keywords = {asymmetric hydrogenation, Asymmetric phosphination, P-chiral phosphine, Self-assembly, Supramolecular phosphine}, issn = {0947-6539}, doi = {10.1002/chem.202401077}, author = {Chandanshive, Amol C. and Gonnade, Rajesh G. and Chikkali, Samir H.} } @article {49229, title = {Thin, flat sheet, solvent-stable ABPBI-based membranes for organic solvent forward osmosis (OSFO)}, journal = {Journal of Membrane Science}, volume = {708}, year = {2024}, month = {AUG}, pages = {123090}, type = {Article}, abstract = {

The work demonstrates poly(2,5-benzimidazole), commonly known as ABPBI, based thin, solvent-stable, scalable flat sheet membranes for organic solvent forward osmosis (OSFO). The membranes treated at 60 and 350 degrees C were analyzed for OSFO using solvents of industrial significance (methanol, ethanol, acetonitrile, N,N-dime- thylformamide, and dimethyl sulphoxide). Although LiCl could be employed as a draw solute with methanol as a solvent, its insolubility in other organic solvents led to the use of a new, simple-to-synthesize acid-base salt, viz., triethylammonium benzoate (TB). A study on the effects of membrane treatment temperature on solvent flux, reverse salt flux (RSF), ability to use TB as draw solute with other solvents, long-duration analysis, and use of model organic compounds in the feed side led to an understanding of the applicability of present thin, scalable ABPBI membranes for OSFO. Although membranes treated at 350 degrees C possessed a lower methanol flux than those treated at 60 degrees C, the lowering in its RSF was highly attractive. TB, having a larger molecular size than LiCl, led to a slight reduction in methanol flux and a considerable reduction in RSF. With TB, extremely low RSF was observed with the chosen solvents. The long-duration study using MeOH and acetonitrile was investigated. A complete rejection of all model organic compounds of varying molecular weights and chemical functionality indicated the merits of the present thin, scalable ABPBI membranes for practical applications of OSFO.

}, keywords = {ABPBI, Free -standing thin membrane, Model organic compounds, OSFO, Triethylammonium benzoate}, issn = {0376-7388}, doi = {10.1016/j.memsci.2024.123090}, author = {Nitin, M. Thorat and Suresh, V. Valvi and Ashish, K. Lele and Ulhas, K. Kharul} } @article {49039, title = {Thiol-ene-based degradable 3D printed network from bio resource derived monomers ethyl-lactate and isosorbide}, journal = {European Polymer Journal}, volume = {205}, year = {2024}, month = {FEB }, type = {Article}, abstract = {

A polymeric ene-based thiol-ene network is reported that was demonstrated for light-based 3D printing. Allyl poly (acrylate ethyl lactate) (PAEL) was synthesized starting from ethyl lactate in an efficient and scalable manner. Ethyl lactate is a biobased material obtained naturally or chemically in high yields in the form of ethyl ester of lactic acid. Isosorbide, which is also a bio based resource was converted into thiol derivative and was used along with Pentaerythritol tetrakis(3-mercaptopropionate) (PETMP) as multifunctional thiol. The polymeric nature of the ene (i.e. PAEL) imparted exceptionally high mechanical properties like Young{\textquoteright}s modulus of 1.75 GPa as well as high thermal stability with a decomposition temperature (Td,10\%) exceeding 350 C for all the networks studied. The properties could also be customized by fine tuning the type and stoichiometric ratio of the thiol crosslinked employed. For instance, the Young{\textquoteright}s modulus range from 1.75 GPa to 1.03 GPa and glass transition temperature range from 44 C to 54 C could be achieved. DLP 3D printing was used to demonstrate the printability of the resins with high resolution and structural fidelity. The study also highlights the basemediated rapid hydrolytic degradation efficiency of the 3D printed parts, demonstrating the applicability of these novel polymeric ene based thiol-ene for sustainable and eco-friendly 3D printable formulations.

}, keywords = {3D printing, Degradation, digital light processing, Poly (acrylate ethyl lactate), Thiol-ene}, issn = {0014-3057}, doi = {10.1016/j.eurpolymj.2024.112761}, author = {Pal, Shibam and Asha, S. K.} } @article {49217, title = {TiO2 spaghetti for sustainable future}, journal = {Matter}, volume = {7}, year = {2024}, month = {AUG }, type = {Editorial Material}, abstract = {

TiO2 is widely utilized in applications ranging from paints to solar cells. Recent advancements in synthesizing nano-TiO2 by Badr, Barsoum, et al. have enabled its production at low cost and large scale. These nanostructures, comprising 1D lepidocrocite nanofilaments, show promise in enhancing solar water splitting and several other applications.

}, issn = {2590-2393}, doi = {10.1016/j.matt.2024.06.015}, author = {Rathod, Yugal and Natu, Varun} } @article {49082, title = {Total synthesis and revision of stereochemistry of a natural benzo[g]isochromene stereodiad isolated from rubia philippinensis}, journal = {Organic Letters}, volume = {26}, year = {2024}, month = {MAR }, pages = {2574-2579}, type = {Article}, abstract = {

This study presents a total synthesis and revision of the stereochemical configuration of the conformationally flexible natural product benzo[g]isochromene stereodiad alongside its diastereomeric counterparts. The highlights of the synthesis are the TiCl4-mediated diastereoselective aldol reaction, Pd-catalyzed lactonization, and Schmidt glycosidation. Our efforts using total synthesis disclosed herein proved that a previously assigned structure required revision.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.4c00553}, author = {Choudhury, Rahul and Miriyala, Satya Ravi Teja and Resmi, K. R. and Sridhar, Balasubramanian and Kasa, S. R. Krishna Murthy and Reddy, D. Srinivasa} } @article {49290, title = {Total synthesis of (-) and (+)-zingibergingerols A}, journal = {Journal of Organic Chemistry}, volume = {89}, year = {2024}, month = {OCT }, pages = {16923-16928}, type = {Article}, abstract = {

The first total synthesis of both of the enantiomers of Zingibergingerol A has been accomplished. The distinctive 3,7,9-trioxabicyclo[4.2.1]nonane skeleton is crafted through gold-catalyzed alkynol cycloisomerization. The synthesis comprises sequential C-C bond formations at both ends of epichlorohydrin: first opening the epoxide with eugenol-derived alkyne, followed by subsequent epoxide installation, and again opening with a Grignard reagent. The resulting alkynol with a fixed C5 stereochemistry was subjected to O-allylation, followed by dihydroxylation and alkynol cycloisomerization.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.4c01649}, author = {Shet, Manoj N. and Ramana, Chepuri V.} } @article {49030, title = {Transcriptome analysis and Structure-Based drug discovery identifies potential biofungicides for controlling Fusarium wilt in chickpea}, journal = {Journal of Molecular Liquids}, volume = {399}, year = {2024}, month = {APR }, type = {Article}, abstract = {

Fusarium wilt caused by the fungal pathogen Fusarium oxysporum f.sp. ciceri (Foc) is a devastating chickpea disease. Foc is a soil-borne pathogen that invades plants through roots and can kill them in three to four weeks. Although Fusarium wilt can be controlled by soil solarization or fumigation with chemical fungicides, these are not always effective. Soil fumigation is also hazardous to the beneficial soil microflora, deteriorates soil health, and causes pollution. Hence, there is an urgent need to identify potent and environment-friendly biofungicides to control fungal pathogens. We employed transcriptome analysis and structure-based drug discovery approaches to identify potential biofungicides from four widely used medicinal plants: Lantana camara, Piper betel, Ricinus communis, and Azadirachta indica. Fusarium wilt-resistant and susceptible chickpea varieties were pathogeninoculated and grown under controlled conditions in a greenhouse. Transcriptome analysis was performed to identify pathogenicity-related differentially expressed genes (DEGs). Over 600 phytochemicals from the four medicinal plants and four chemical fungicides were considered for molecular docking against the predicted protein structures of the four most expressed pathogen DEGs. The phytochemicals with the best docking scores and the lowest predicted toxicity risk were considered for molecular dynamics (MD) simulation at 100 ns timescale, and 15 potential biofungicides were identified. This study paves the way for developing biofungicides with enhanced efficacy and safety to manage Fusarium wilt in chickpea.

}, keywords = {Antifungal molecules, Cicer arietinum, fusarium oxysporum, MD Simulation, medicinal plants, Molecular docking}, issn = {0167-7322}, doi = {10.1016/j.molliq.2024.124364}, author = {Sahoo, Rosaleen and Kadoo, Narendra} } @article {49054, title = {Transfer semi-hydrogenation of terminal alkynes with a well-defined iron complex}, journal = {Dalton Transaction}, volume = {53}, year = {2024}, month = {FEB }, pages = {3484-3489}, type = {Article}, abstract = {

The synthesis and characterization of a bis-iron(ii) complex was accomplished upon treatment of a phosphine free NNN-pincer ligand (L) with FeCl2 center dot 4H2O under ambient conditions. The deep greenish colored iron(ii) complex (Fe-1) was characterized by a single-crystal X-ray diffraction study along with IR spectroscopy, UV-Vis spectroscopy, mass spectrometry, and elemental analysis. The Fe-1 complex was tested for the transfer semi-hydrogenation of terminal alkynes to the corresponding alkenes through the dehydrogenation of dimethyl amine-borane. This procedure enables the conversion of various structurally different terminal alkynes to alkenes under mild conditions. Control experiments were performed to shed light on the possible intermediates generated during the present protocol. A bench stable iron(ii) complex with the pincer ligand backbone was synthesized and characterized. The well-defined iron complex was successfully utilized for the dehydrogenation of DMAB and subsequent transfer semi-hydrogenation of terminal alkynes.

}, issn = {1477-9226}, doi = {10.1039/d3dt03248e}, author = {Chowdhury, Deep and Goswami, Souvik and Krishna, Gamidi Rama and Mukherjee, Arup} } @article {49195, title = {Transient Electro-Graphitization of MOFs Affecting the Crystallization of Ruthenium Nanoclusters for Highly Efficient Hydrogen Evolution}, journal = {ADVANCED FUNCTIONAL MATERIALS}, volume = {34}, year = {2024}, month = {AUG}, type = {Journal Article}, keywords = {amorphous ruthenium, crystallization control, graphitic nanostructure}, issn = {1616-301X}, doi = {10.1002/adfm.202315460}, author = {Karim, Golam Masud and Patra, Amalika and Deb, Sujit Kumar and Upadhya, Hemanta and Das, Snehasish and Mukherjee, Priyam and Ahmad, Waleed and Barman, Narad and Thapa, Ranjit and Dambhare, V, Neha and Rath, Arup Kumar and Das, Jaysri and Manna, Uttam and Urkude, Rajashri R. and Oh, Youngtak and Maiti, Uday Narayan} } @article {49213, title = {Trapping an elusive Fe(IV)-superoxo intermediate inside a self-assembled nanocage in water at room temperature}, journal = {JOURNAL OF THE AMERICAN CHEMICAL SOCIETY}, volume = {146}, year = {2024}, month = {JUL }, pages = {21729-21741}, type = {Journal Article}, keywords = {CATALYTIC EPOXIDATION, DIOXYGEN ACTIVATION, NONHEME IRON, X-RAY-ABSORPTION}, issn = {0002-7863}, doi = {10.1021/jacs.4c05849}, author = {Gera, Rahul and De, Puja and Singh, Kundan K. and Jannuzzi, Sergio A. V. and Mohanty, Aisworika and Velasco, Lucia and Kumar, Pankaj and Marco, J. F. and Nagarajan, Kalaivanan and Pecharroman, Carlos and Rodriguez-Pascual, P. M. and DeBBeer, Serena and Moonshiram, Dooshaye and Gupta, Sayam Sen and Dasgupta, Jyotishman} } @article {49242, title = {Trehalase inhibition in Helicoverpa armigera activates machinery for alternate energy acquisition}, journal = {JOURNAL OF BIOSCIENCES}, volume = {49}, year = {2024}, month = {JUL }, pages = {74}, type = {Journal Article}, keywords = {Energy metabolism, glucose, Metabolomics, Transcriptomics, trehalase, validamycin A}, issn = {0250-5991}, doi = {10.1007/s12038-024-00453-8}, author = {Tellis, Meenakshi and Mohite, Sharada and Joshi, Rakesh} } @article {49283, title = {Triazatruxene amine donor-based visible-light-responsive unsymmetrical squaraine dyes for dye-sensitized solar cells}, journal = {ACS Applied Energy Materials}, volume = {7}, year = {2024}, month = {SEP}, pages = {7982-7991}, type = {Article}, abstract = {

Optimized charge-transfer dynamics at the dye-TiO2/electrolyte interface are required for an enhanced dye-sensitized solar cell (DSSC) device performance. Such an optimized interface enhances the charge-injection, dye-regeneration, and diminished charge-recombination processes, synergistically enhancing the device efficiency. In this study, octupolar-structured sensitizers are designed to improve the interaction between the dye and the redox electrolyte for increasing the dye-regeneration process upon photoexcitation. Accordingly, a set of unsymmetrical squaraine dyes with indoline and triazatruxene amine donor-based D-A-D dyes are designed (KV1-KV3), synthesized, and sensitized with a semiconducting metal oxide (TiO2) film. The sensitizer forms a monolayer on the TiO2 surface, leading to a dye-dye interaction, which broadens the absorption spectrum. The N atom of the triazatruxene amine donor was left unsubstituted in KV1, whereas a hexyl chain was installed in KV2 and KV3 and a branched alkyl chain was installed on the core N atoms in KV3 to control the self-assembly of dyes on the TiO2 surface. Self-assembly of alkyl groups wrapped in KV1-KV3 dyes on the TiO2 surface aids surface passivation and broadens the absorption profile, improving the light-harvesting capabilities. The DSSC devices based on KV2 exhibited a high power conversion efficiency of 7.85\% (V-oc = 794 mV, J(sc) = 14.76 mA/cm(2), and FF = 67\%), with an onset incident photon-to-current conversion efficiency response from 680 nm.

}, keywords = {aggregationof dyes, Dye-sensitized solar cells, metal-free organic dyes, self-assembly of dye, squaraine dyes, triazatruxene}, issn = {2574-0962}, doi = {10.1021/acsaem.4c01591}, author = {Ingole, Kiran Balaso and Deshmukh, Shivdeep Suresh and Verma, Tushar Singh and Krishnamurty, Sailaja and Krishnamoorthy, Kothandam and Nithyanandhan, Jayaraj} } @article {49027, title = {Tridentate NacNac tames T-shaped nickel(I) radical}, journal = {Chemistry- a european journal}, volume = {30}, year = {2024}, month = {FEB}, type = {Article}, abstract = {

The reaction of a nickel(II) chloride complex containing a tridentate beta-diketiminato ligand with a picolyl group [2,6-iPr2-C6H3NC(Me)CHC(Me)NH(CH2py)]Ni(II)Cl (1)] with KSi(SiMe3)3 conveniently afforded a nickel(I) radical with a T-shaped geometry (2). The compound{\textquoteright}s metalloradical nature was confirmed through electron paramagnetic resonance (EPR) studies and its reaction with TEMPO, resulting in the formation of a highly unusual three-membered nickeloxaziridine complex (3). When reacted with disulfide and diselenide, the S-S and Se-Se bonds were cleaved, and a coupled product was formed through carbon atom of the pyridine-imine group. The nickel(I) radical activates dihydrogen at room temperature and atmospheric pressure to give the monomeric nickel hydride. A thermally stable, T-shaped, nickel(I) radical was straightforward obtained by reduction of a tridentate nacnac nickel(II) chloride with KSi(TMS)3. The metalloradical character of the compound was demonstrated by the formation of a highly unusual nickeloxaziridine complex upon addition of TEMPO. The Ni(I) species displays a rich chemistry towards activation S-S, and Se-Se bond leading to unusual C-C coupled product as well as dihydrogen activation at room temperature and atmospheric pressure to generate monomeric nickel hydride.+image

}, keywords = {C-C Bond formation, Hydrogen Activation, Metalloradical, Nickel, Tridentate nacnac}, issn = {0947-6539}, doi = {10.1002/chem.202303957}, author = {Pahar, Sanjukta and Sharma, Vishal and Raj, K. Vipin and Sangole, Mayur P. and George, Christy P. and Singh, Kirandeep and Vanka, Kumar and Gonnade, Rajesh G. and Sen, Sakya S.} } @article {48999, title = {Tuning the optical properties of Ln3+-doped-Y2O3@ZnO@Au core-shell heterostructures for visible-to-NIR photon harvesting}, journal = {Surfaces and Interfaces }, volume = {44}, year = {2024}, month = {JAN}, type = {Article}, abstract = {

Here, compact Yb3+-Er3+-Tm3+ doped Y2O3 phosphor microspheres were synthesized by solvothermal method which gave emission in the entire visible region under 980 nm excitation. The effect of doping alkali ions like lithium on the upconversion emission of YYET phosphors is investigated. An epitaxial layer of ZnO is grown around the YYETL (Li+ doped YYET) microspheres by hydrothermal technique. An analysis of the influence of the ZnO shell thickness on the upconversion emission of core microspheres is done. Initial growth of a thin layer of ZnO on the YYETL microspheres causes enhancement in upconversion emission due to passivation of surface defects of core microspheres. Quenching of anti-Stokes emission occurs for thicker ZnO shell coating. Further, it is decorated with AuNPs to study the effect of plasmonics on the optical property of the developed heterostructure. The overlap between the upconversion emission spectra of core microspheres and the LSPR peak of AuNPs modulates the property of the entire structure. The optimized samples were checked for photocatalytic application by degradation of Rh6G dye under solar irradiation. YYETL@ZnO@Au core-shell samples exhibited highest rate constant of 0.00395 min(-1), which is attributed to better exploitation of the UV-Vis-NIR region of the solar spectrum by all three components of the heterostructure.

}, keywords = {AuNPs, Core-shell heterostructure, LRET, Photocatalysis, Upconversion microspheres, ZnO}, issn = {2468-0230}, doi = {10.1016/j.surfin.2023.103775}, author = {Jayswal, Shefali and Luwang, Meitram Niraj and Moirangthem, Rakesh S.} } @article {49392, title = {{\textquoteleft}Turning on{\textquoteright} to glutathione: a rhodamine-based fluorescent chemodosimeter with nanomolar sensitivity}, journal = {ChemistrySelect}, volume = {9}, year = {2024}, month = {OCT}, pages = {e202402943}, type = {Article}, abstract = {

A new colorimetric and fluorescence turn-on chemodosimeter for selective detection of GSH over Cys and Hcy with 34-fold enhancement in emission intensity is reported. Probe 1 exhibited ultra-sensitivity toward GSH with 0.125 nM detection limit and successfully displayed GSH detection in MCF-7 live cells. The mechanism of sensing is established by density functional theoretical calculations.

}, keywords = {Chemodosimeter, Fluorescence turn-on, GSH, MCF-7 cells, Rhodamine}, issn = {2365-6549}, doi = {10.1002/slct.202402943}, author = {Badekar, Pooja S. and Deo, Harshada S. and Varma, Mokshada E. and Kulkarni, Prasad P. and Maibam, Ashakiran and Krishnamurty, Sailaja and Kumbhar, Anupa A.} } @article {49247, title = {Tyramine-mediated hyperactivity modulates the dietary habits in Helicoverpa armigera}, journal = {JOURNAL OF CHEMICAL ECOLOGY}, volume = {50}, year = {2024}, month = {OCT}, pages = {453-464}, type = {Journal Article}, keywords = {amines, Behavior, dopamine, octopamine, RECEPTOR, sensitivity, SULFAKININ}, issn = {0098-0331}, doi = {10.1007/s10886-024-01515-9}, author = {Patil, Yogita P. and Gawari, Shyam K. and Barvkar, Vitthal T. and Joshi, Rakesh S.} } @article {49900, title = {Tailoring of rheological properties through hydrophobic interactions in silica-based liquid crystal gels}, journal = {ChemPhysChem}, volume = {26}, year = {2025}, month = {NOV }, type = {Article}, abstract = {

Modification of the intrinsic hydrophilic character of the pristine silica nanoparticles (SiNP) decorated with silanol moieties into a hydrophobic state has been of substantial interest, owing to the amenability to gelation of desirable liquids. Many reports exist on composites of SiNP with liquid crystals (LCs), an epitome of anisotropic soft matter. The fumed SiNP, unlike its precipitated counterpart, has been the preferred variety. A family of colloidal gel systems is reported, consisting of precipitated SiNP in a nematic LC, formed by substituting some native silanols with methyl, butyl, or dodecane chains. Detailed steady state and oscillatory rheological measurements are performed, along with analyses using the soft glass and other viscoelastic models. The study demonstrates that the sophisticated modified fractional models, Kelvin-Voight and Maxwell, proposed for generalized viscoelastic behavior of soft materials, are quite successful in describing these nematic gels as well. The observed nontrivial relationship between the ligand length and the strength of the gel network is elucidated on the basis of a judicious combination of the van der Waals, hydrogen bonding, and hydrophobic interactions, leading to a detailed understanding of the viscoelastic behavior of the composites and the influence of SiNP surface chemistry.

}, keywords = {fractional viscoelastic models, Hydrophobic, nematic, rheological studies, silica nanoparticles}, issn = {1439-4235}, doi = {10.1002/cphc.202500123}, author = {Sumana, S. and Chakrabortty, Pratyasha and Karumuthil, Subash Cherumannil and Prasad, S. Krishna and Prasad, Bhagavatula L. V.} } @article {49225, title = {Tailoring the electrochemical properties of ZnS electrodes via cobalt doping for improved supercapacitor application}, journal = {JOURNAL OF ELECTRONIC MATERIALS}, volume = {54}, year = {2025}, month = {JAN}, pages = {451-461}, type = {Journal Article}, keywords = {capacitance, Co-doped, supercapacitor, ZnS}, issn = {0361-5235}, doi = {10.1007/s11664-024-11535-6}, author = {Tom, Emmanuel and Velluva, Abhijai and Joseph, Anit and Thomas, Tiju and Sha, Mizaj Shabil and Jithin, V, P. and Thomas, Deepu and Sadasivuni, Kishor Kumar and Kurian, Joji} } @article {49987, title = {Techno-economic analysis of an integrated membrane-based harvesting and effluent recycling strategy for microalgal biomass production in raceway ponds}, journal = {ACS ES\&T Water}, volume = {5}, year = {2025}, month = {SEP}, pages = {6078{\textendash}6089}, type = {Article}, abstract = {

Microalgae-based systems offer a sustainable route for biomass production and carbon dioxide (CO2) capture; however, their economic feasibility remains scale-dependent. This study presents a techno-economic analysis (TEA) of\ Monoraphidium\ sp. KMC4 cultivated in open raceway ponds (ORPs) using low-cost kaolin-based ceramic membranes integrated with a three-batch effluent recycling system. Four scenarios (S1{\textendash}S4) were evaluated to assess the influence of production scale (1{\textendash}100 ha) and electricity subsidies. Capital expenditure (CAPEX) and operating expenditure (OPEX) were quantified, and a sensitivity analysis was conducted for plant life, discount rate, biomass selling price, and utility and labor costs. Results show that small-scale systems with subsidies (S1) yield marginal profitability (net present value, NPV: $0.28 million), while unsubsidized small-scale systems (S2) remain unviable. Industrial-scale production (S4) demonstrated favorable economics with a unit biomass cost of $7.50 per kilogram, a payback period of 5.3 years, and an NPV of $145.78 million. The sensitivity analysis confirmed that the biomass selling price and utility costs are the most influential parameters that affect economic viability. Overall, the findings emphasize that economies of scale, process optimization, and resource recovery are key to widespread adoption and the feasibility of algae-based systems.

}, doi = {https://doi.org/10.1021/acsestwater.5c00790}, author = {Agarwalla, Ankit and Kumar, Vinod and Mohanty, Kaustubha} } @article {49776, title = {Tetrahydrofuran ring construction through tandem iodocyclizations: synthesis of hagen{\textquoteright}s gland lactones, a pheromone of idea leuconoe , an oxylipid, and related compounds}, journal = {Synlett}, volume = {36}, year = {2025}, month = {SEP}, pages = {2299-2303}, type = {Article}, abstract = {

A simple and efficient common route was developed for the syntheses of tetrahydrofuran-ring-containing natural products such as Hagen{\textquoteright}s gland lactones and their epimers, a pheromone of the butterfly Idea leuconoe, an oxylipid, and some valuable synthons. Brown{\textquoteright}s allylation, cross-metathesis, iodocyclization, and a tandem aminoxylation/allylation were employed as key steps in the syntheses.

}, keywords = {Cross-metathesis, Hagen{\textquoteright}s gland lactone, Iodocyclization, oxylipids, pheromones, tetrahydrofurans}, issn = {0936-5214}, doi = {10.1055/a-2550-1785}, author = {Nookaraju, U. and Danve, Shivam S. and Kumar, Pradeep} } @article {49537, title = {Tf2O-Induced C(sp2)-N(sp2) bond formation: one-pot synthesis of N-heteroarene quaternary salts in nonbenzenoid skeleton of tropolone alkaloids under mild reaction conditions}, journal = {Organic Letters}, volume = {27}, year = {2025}, month = {MAR}, pages = {2592-2596}, type = {Article}, abstract = {

Naturally occurring protoalkaloids, such as colchicine and colchicoside, have significant medical applications and are used globally to treat a variety of diseases. We report herein a C(sp2)-N(sp2) bond formation protocol via a Tf2O (triflic anhydride)-assisted one-pot aromatic nucleophilic substitution (SNAr) reaction on various naturally occurring biologically active compounds such as colchicine, 3-demethyl colchicine, and 2-methoxy tropone under mild reaction conditions. Synthesis of bench-stable heterotropone quaternary salts was achieved by the reaction of tropolone alkaloids with diverse non-nucleophilic N-heterocycles. The developed methodology demonstrates wide substrate scope with good to very good yield. Our devised approach paves the way for future drug design efforts involving bioactive natural products with tropolone skeletons.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.5c00183}, author = {Lohote, Mahendra V. and Bhattacharya, Asish K.} } @article {49563, title = {Thermal properties of polyethylene-grafted sheetlike silsesquioxanes}, journal = {ACS Applied Polymer Materials}, volume = {7}, year = {2025}, month = {MAR}, pages = {4290-4300}, type = {Article}, abstract = {

Polyethylene-grafted layered silsesquioxanes, termed polyethylene-clays (PEC), are nanocomposites comprising polyethylene chains tethered to inorganic sheets with a phyllosilicate-like structure. Here, we report that these nanocomposites show two-stage crystallization on cooling, qualitatively different from previous reports on polyethylene nanocomposites. We employ differential scanning calorimetry (DSC) and small-angle X-ray scattering (SAXS) to study the melting and crystallization of PEC. End tethering of the polyethylene chains to a nanosheet strongly influences the manner in which PEC crystallizes from the melt on cooling. PEC exhibits two-step crystallization, characterized by a sharp high-temperature exotherm, followed by a broader exotherm at lower temperatures, in contrast to a single sharp exotherm for neat polyethylene. SAXS indicates that lamellar stacks form at high temperatures and that the low-temperature exotherm corresponds to the formation of additional lamellae and their insertion within these stacks. PEC exhibits lower peak melting temperature, lower crystallinity, and a wider melting range relative to polyethylene. We show that the progress of crystallization of PEC is determined by its ultraslow relaxation dynamics. In contrast, PEC in xylene solution exhibits a significantly shorter relaxation time than the melt PEC. Such systems exhibited a single exotherm on cooling and SAXS structure factor peaks with peak positions in a ratio of 1:2. We hypothesize that the high melt viscosity inhibits the crystallization-induced decrease in the specific volume of PEC, resulting in tensile internal stresses that determine the observed thermal behavior.

}, keywords = {clay, Crystallization, Nanocomposite, Polyethylene, silsesquioxane}, issn = {2637-6105}, doi = {10.1021/acsapm.4c04181}, author = {Sharma, Vivek and Paulbudhe, Uday and Gupta, Poonam and Zalte, Akshat Shirish and Chikkali, Samir H. and Kumaraswamy, Guruswamy} } @article {49986, title = {Thin-film approach for scalability and enhancement of solar hydrogen production with CNT integrated Ce-doped-TiO2 composite in direct sunlight}, journal = {Materials Today Catalysis}, volume = {10}, year = {2025}, month = {SEP}, pages = {100115}, type = {Article}, abstract = {

Solar hydrogen production by photocatalysis has long been considered as an important energy option. Whichever photocatalyst succeeds, methods should be available to scale-up in a most sustainable and cost-effective manner, and the present work addresses this specific issue. In the present study, Ce-doped in the TiO2\ lattice (Ce-TiO2) and the same integrated with CNT (CNT-Ce-TiO2; (CCT)) composite was synthesized and characterized. Current study demonstrates the synergistic integration of Ce-TiO$_{2}$ as a light absorber and charge generator with CNTs as efficient charge separation at heterojunctions as well as charge transporter in a thin-film configuration (lab-scale (4.7 cm2), bench-scale (500 cm2)). Improved H2\ generation under direct sunlight demonstrated in thin film form, than in particulate suspension, is attributed to efficient light absorption, particularly for electron-hole pair separation and their dispersion to redox sites. Additionally, the role of the binder is highlighted for improving H2\ yield and the sustainability of the thin-film form of photocatalyst. \~{}200 mg (1 g) CCT coated over 500 cm2\ (2500 cm2) photocatalyst produced 21.6 mmol/h (102 mmol/h) H2\ in sunlight. Present results provides a proof of concept that the thin film form of photocatalyst displays, at least 10 times, higher H2\ yield than its powder counterpart, depending on the measurement conditions. A non-linear enhancement in H2\ yield with small and large area thin-film indicates complex underlying factors and highlights the scope for further improvements.

}, doi = {https://doi.org/10.1016/j.mtcata.2025.100115}, author = {Vijayarengan, Preethi and Maria, Anthony Raja and Ashadevi, K. S. and Nalajala, Naresh and Gopinath, Chinnakonda S.} } @article {49268, title = {Thrombin immobilized hemocompatible radiopaque polyurethane microspheres for topical blood coagulation}, journal = {JOURNAL OF BIOMEDICAL MATERIALS RESEARCH PART A}, volume = {113}, year = {2025}, month = {JAN}, type = {Journal Article}, keywords = {ALGINATE MICROSPHERES, ENDOVASCULAR TREATMENT, PRECISE LOCALIZATION}, issn = {1549-3296}, doi = {10.1002/jbm.a.37828}, author = {Naik, Sonali S. and Torris, Arun and Ghuge, Gorakh Hiraman and Karthika, V. K. and Joseph, Roy and Nair, Kiran Sukumaran} } @article {49968, title = {Total biocatalytic synthesis of capsaicinoids using ferulic acid: a versatile two-step strategy for natural product diversification}, journal = {Angewandte Chemie-International Edition}, volume = {64}, year = {2025}, month = {DEC }, type = {Article}, abstract = {

The wide-ranging application of capsaicinoids, the active compounds in chili peppers, has driven increasing interest in the development of sustainable production strategies. However, capsaicinoid synthesis remains a challenge. The objective of this pioneering study is to report the total biocatalytic synthesis of structurally diverse capsaicinoids from bio-based ferulic acids. An X-ray crystallographic study elucidated the structural basis for the exceptional potential of a novel transaminase from Phaeobacter porticola (PPTA) to transform the highest ever reported concentration of vanillin (100-200 mM) to vanillylamine, with \>99\% conversion and modest conversion ranging from 48\% to 79\% for 300 to 500 mM substrate. Using PPTA in tandem with phenolic acid decarboxylase (PAD) and aromatic dioxygenase (ADO) further enabled the direct synthesis of vanillylamine from ferulic acid with \>99\% conversion. Furthermore, the integration of a multi-enzymatic cascade with carboxylic acid reductases (CARs) successfully synthesized structurally diverse capsaicinoids via amide bond formation between vanillylamine and free fatty acids, with excellent conversions ranging from 72\% to \>88\%. A 50-mM enzymatic reaction afforded 95\% and 80\% conversion of vanillylamine and capsaicin, respectively.

}, keywords = {Capsaicinoids, Carboxylic acid reductase, Transaminase, Vanillylamine}, issn = {1433-7851}, doi = {10.1002/anie.202514504}, author = {Khobragade, Taresh P. and Giri, Pritam and Patil, Mahesh D. and Joo, Sangwoo and Cho, Sunga and Kim, Yechan and Ghosh, Rohan and Jeong, Sanghun and Maeng, Minyeong and Song, Min-Ho and Park, Jeong-Min and Lee, Eun Ho and Keum, Young-Soo and Kang, Taek Jin and Heo, Yong-Seok and Yun, Hyungdon} } @article {49829, title = {Total synthesis of isatisindigoticanine H}, journal = {Synthesis-Stuttgart}, volume = {57}, year = {2025}, month = {SEP}, pages = {2677-2682}, type = {Article}, abstract = {

The first total synthesis of the naturally occurring isatisindigoticanine H has been completed by employing D-mannitol as the chiral pool precursor to install the requisite stereochemistry of the natural product. Construction of the thiazole unit by dehydrative cyclization of a alpha-halo ketone with thiourea followed by Sandmeyer{\textquoteright}s reaction and subsequent nucleophilic addition of lithiated bromothiazole to the Weinreb amide are the key reactions employed in this regard.

}, keywords = {Chiral pool approach, Indothiazinone, Isatisindigoticanine H, Sandmeyer reaction, Total synthesis}, issn = {0039-7881}, doi = {10.1055/a-2618-0514}, author = {Wabale, Krishna R. and Ramana, Chepuri Venkata} } @article {49500, title = {Total synthesis of linear lipodepsipeptide kavaratamide A and its C25-epimer}, journal = {Organic \& Biomolecular Chemistry}, volume = {23}, year = {2025}, month = {FEB}, pages = {1819-1822}, type = {Article}, abstract = {

We report the stereoselective total synthesis of kavaratamide A, a linear lipodepsipeptide from the cyanobacterium Moorena bouillonii (collected in Kavaratti, India), and its unnatural C25-epimer. The convergent approach employs Keck asymmetric allylation to construct the chiral beta-hydroxy carboxylic acid fragment [(3S)-HDA; 3-hydroxydecanoic acid], while the peptide unit was assembled from l-Val, N-Me-l-Ala, (S)-Hiva, and (S)-iPr-O-Me-pyr using well-orchestrated coupling methods to prevent racemization. Modifications to the Keck allylation conditions enabled the synthesis of the C25-epimer with good yield. Cytotoxicity of kavaratamide A and C25-epi-kavaratamide A, assessed using the MTT assay, demonstrated moderate activity against HepG2 and PANC-1 cell lines.

}, issn = {1477-0520}, doi = {10.1039/d4ob01970a}, author = {Sahu, Manas Ranjan and Ingale, Sudhir R. and Kontham, Ravindar} } @article {49680, title = {Total synthesis of ({\textpm})-streptoglyceride A and of putative ({\textpm})-streptoglyceride C}, journal = {Organic Letters}, volume = {27}, year = {2025}, month = {JUN}, pages = {5931-5935}, type = {Article}, abstract = {

The first total synthesis of (+/-)-Streptoglyceride A-one of the early members of this family to be isolated-has been accomplished, along with the synthesis of the putative structure of (+/-)-Streptoglyceride C. The unique tricyclic ring present in these natural products has been constructed by employing a gold-catalyzed tandem diynol cycloisomerization followed by one-pot dihydroxylation/trans-glycosylation. The pendant diene unit was fabricated by Takai olefination and subsequent Stille coupling.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.5c00879}, author = {Khobragade, Virendra R. and Ramana, Chepuri V.} } @article {49892, title = {Towards efficient conversion of sucrose to 1,2-propanediol selectively over Cu-La on activated carbon support}, journal = {Biomass Conversion and Biorefinery}, volume = {15}, year = {2025}, month = {NOV}, pages = {29241-29257}, type = {Article}, abstract = {

In this study, we investigated the conversion of sucrose to 1,2-propanediol (1,2-PDO) using various Cu-La metals supported on activated carbon (AC), a versatile support known for its hydrophobicity and high surface area. Among the catalysts tested, 6\% Cu-20\% La/AC demonstrated the highest activity, achieving a 72\% yield of 1,2-PDO under optimal reaction conditions of 200 degrees C, 40 bar H2, and 6-h reaction time. Comparative studies using cellulose, sucrose, glucose, and fructose as substrates identified sucrose as the most favorable feedstock for 1,2-PDO production. Detailed catalyst characterization (XRD, TEM, FE-SEM, TPR, TPD, XPS) revealed that the high dispersion, presence of metallic copper, and synergy between Cu and La, along with the presence of optimal acidic and basic sites, were responsible for the catalyst{\textquoteright}s high selectivity of 1,2-PDO. Additionally, the effect of different supports, including HY, NaY, HZSM-5, NaZSM-5, gamma-Al2O3, and AC, on sucrose conversion was examined, with AC showing superior performance. The catalyst{\textquoteright}s reusability was also assessed.Graphical abstractInvestigation of Cu-La metals supported on activated carbon for the catalytic conversion of sucrose to 1,2-propanediol, with an emphasis on choice of support, feedstock selection, catalyst performance, and stability under optimized reaction conditions.

}, keywords = {1, 2-Propanediol, Biomass conversion, Biomass-to-chemicals, Hydrogenation}, issn = {2190-6815}, doi = {10.1007/s13399-025-06641-2}, author = {Anilan, Anusree Elavanaparambil and Sreekantan, Sreejith and Racha, Arundhathi and Marimuthu, Banu} } @article {49967, title = {Towards improved activity and stability in RWGS reaction: Dispersed copper in mesoporous alumina matrix as a strategy for enhanced performance}, journal = {Chemical Engineering Journal}, volume = {525}, year = {2025}, month = {DEC }, pages = {169863}, type = {Article}, abstract = {

The development of highly performing Cu-based catalysts with high dispersion of Cu species in nanocrystalline form on a suitable oxide support is significant in reverse water gas shift (RWGS) reaction. We report a simple and robust one-pot sol-gel synthesis of mesoporous Al10-xCuxOy (m gamma-Al10-xCux-SG) catalysts with Cu species in a highly dispersed nanocrystalline form in the gamma-Al2O3 matrix and its high catalytic performance in RWGS reaction. The lack of long range structural order of copper species in m gamma-Al10-xCux-SG catalysts evidenced from Cu-K edge extended X-ray absorption fine structure (EXAFS) studies illustrates the fine distribution of copper species in mesoporous gamma-Al2O3 lattice. Activity study revealed that m gamma-Al10-xCux-SG catalysts showed significantly high CO2 conversion to CO and excellent catalytic stability compared to gamma-Al10-xCux-I prepared by conventional impregnation method. Mesoporous Al9Cu1 (m gamma-Al9Cu1) displayed a CO2 conversion of 45 \% at 500 degrees C, which is about 2.8 times higher activity than conventional gamma-Al9Cu1-I catalyst with almost same Cu loading as that of m gamma-Al9Cu1 catalyst. Stability study at 500 degrees C over a period of 50 h revealed that m gamma-Al10-xCux-SG catalysts at low Cu loading (m gamma-Al9.9Cu0.1) showed excellent catalytic stability. The strong copper-alumina interaction in m gamma-Al10-xCux-SG catalysts with enhanced number of active sites at the copper-alumina interface as evidenced from field emission scanning electron microscope (FESEM), high-resolution transmission electron microscope (HRTEM), H2-temperature programmed reduction (H2-TPR), X-ray photoelectron spectroscopy (XPS), electrochemical characterization, and Cu-K edge EXAFS analysis enhances the activity and stability of the catalyst. Density functional theory (DFT) studies and the Operando DRIFTS-MS analysis of RWGS over m gamma-Al9Cu1 catalyst revealed that the mechanism of RWGS reaction to CO formation on m gamma-Al10-xCux-SG catalysts is preceded through the formation of a hydroxycarbonyl (OCOH) intermediate. The present synthesis strategy provides an opportunity for producing Cu-based catalysts with further enhanced activity and stability in RWGS reaction by suitable modification of the catalyst.

}, issn = {1385-8947}, doi = {10.1016/j.cej.2025.169863}, author = {Saju, Simi and Rajendran, Sivaraj and Oztas, Ulviye and Ruiz, Sergio Carrasco and Reina, Tomas Ramirez and Ghosh, Biplab and Sree, Sreeprasanth Pulinthanathu and Meena, Raghavendra and Li, Guanna and Bobadilla, Luis F. and Vinod, Chathakudath P. and Mathew, Thomas and Shiju, N. Raveendran} } @article {49702, title = {Transcriptome analyses reveal TaWRKY41 as a potential candidate governing spot blotch resistance in wheat}, journal = {Physiology and Molecular Biology of Plants}, volume = {31}, year = {2025}, month = {APR}, pages = {591-608}, type = {Article}, abstract = {

Spot blotch disease caused by Bipolaris sorokiniana poses a significant threat to wheat production. Cultivation of disease-resistant wheat genotypes appears to be the most practical approach to mitigate the impact of this devastating disease. However, the molecular responses of wheat plants during spot blotch disease progression remain poorly understood. This study employed RNA-sequencing to unravel the spatiotemporal molecular events underlying the resistance mechanism in the spot blotch susceptible and resistant wheat genotypes. This study further provides a comprehensive overview of differentially expressed transcripts through functional analysis and transcription factor identification, elucidating the biological mechanisms governing wheat-B. sorokiniana interaction. In the resistant genotype, the expression of one of the key transcription factors, TaWRKY41, was significantly induced upon pathogen inoculation. Computational studies, electrophoretic-mobility shift assay, and yeast one-hybrid assay confirmed the interaction of the recombinant TaWRKY41 protein with W-box elements present in the promoters of plant defense-related genes. Furthermore, co-expression network analyses identified downstream genes positively correlated with TaWRKY41, providing insights into their probable involvement in the defense response. Overall, our investigation suggests that TaWRKY41 contributes to spot blotch resistance in wheat. This knowledge can help develop new disease-resistant wheat varieties.

}, keywords = {Plant defense, plant-pathogen interaction, TaWRKY41, Transcription factors, Transcriptomics}, issn = {0971-5894}, doi = {10.1007/s12298-025-01583-5}, author = {Dayama, Bhakti R. and Mahadik, Varsha A. and Somani, Deepika and Shinde, Balkrishna A. and Kondhare, Kirtikumar R. and Karthikeyan, Muthukumarasamy and Kadoo, Narendra Y.} } @article {49585, title = {Transit of NEAT1 and MTP11 to the plasma membrane and co-localization to vesicles support a role for exocytosis-mediated export in metal homeostasis}, journal = {Physiologia Plantarum}, volume = {177}, year = {2025}, month = {JAN}, pages = {e70067}, type = {Article}, abstract = {

Understanding the role and mode of action of nutrient transporters requires information about their dynamic associations with plant membranes. Historically, apoplastic nutrient export has been associated with proteins localized at the plasma membrane (PM), while the role of endomembrane localization has been less explored. However, recent work on the PHOSPHATE 1 (PHO1) inorganic phosphate (Pi) exporter demonstrated that, although primarily localized at the Golgi and trans-Golgi network (TGN) vesicles, PHO1 does associate with the PM when clathrin-mediated endocytosis (CME) was inhibited, supporting a mechanism for Pi homeostasis involving exocytosis. We explored whether CME inhibition can identify other transporters that, although primarily localized at Golgi/TGN at steady-state level, also transit via the PM and are potentially involved in export via exocytosis. We found that, similar to PHO1, Golgi-localized transporters NA EFFLUX TRANSPORTER1 (NAET1) and METAL TOLERANCE PROTEIN11 (MTP11) relocate to the PM when CME is inhibited, both transiently in Nicotiana benthamiana and conditionally in Arabidopsis thaliana. Such PM re-localization of transporters upon CME inhibition is specific, since it does not occur with several other Golgi-associated transporters, including MTP5 and BIVALENT CATION TRANSPORTER 3 (BICAT3), as well as resident Golgi/TGN membrane proteins, such as alpha-1,2-MANNOSIDASE I (Man1) and VESICLE TRANSPORT V-SNARE 12 (VTI12). Additionally, we observed that NAET1, MTP11 and PHO1 all partially co-localize to vesicles. Overall, our study supports a role for synaptic-like vesicle-mediated exocytosis for both NEAT1 and MTP11 in nutrient transport in plants and highlights the importance of assessing the transient localization of Golgi/TGN proteins to the PM.

}, issn = {0031-9317}, doi = {10.1111/ppl.70067}, author = {Vetal, Pallavi V. and Jaskolowski, Aime and Poirier, Yves} } @article {49826, title = {Triple G-C-T base-coded nucleobase self-assembling monomers featuring polymerizable groups for 3D printing}, journal = {ACS Applied Polymer Materials}, volume = {7}, year = {2025}, month = {NOV}, pages = {15619-15628}, type = {Article}, abstract = {

Self-assembling monomers (SAMs) offer a versatile strategy for enhancing the performance of photoresins in Digital Light Processing (DLP) 3D printing. In this work, we report the design and synthesis of two photoprintable, nucleobase-inspired SAMs featuring a triple G-C-T base-coded hydrogen-bonding motif. This SAM was formulated using 2-hydroxyethyl acrylate (2-HEA), 1,6-hexanediol diacrylate (HDDA), and diphenyl(2,4,6-trimethylbenzoyl)phosphine oxide (TPO) to prepare UV-curable resins suitable for high-resolution DLP printing. Remarkably, the printed samples exhibited supramolecular self-assembly, facilitated by dynamic hydrogen bonding, demonstrating a notable enhancement in thermal and mechanical performance when compared to the control sample. Thermal properties evaluated by a differential scanning calorimeter revealed an increase in the glass transition temperature (T-g) from 15 degrees C to 54 degrees C for SAM-incorporated printed materials. Mechanical testing demonstrated a \>200\% increase in toughness and \>150\% improvement in tensile strength relative to the unmodified resin while maintaining or exceeding the original elongation at break (up to similar to 74\%). Variable-temperature FTIR spectroscopy confirmed the presence of thermally responsive supramolecular interactions. Notably, self-healing behavior was observed in both GCT-A 15 wt \% and GCT-S 15 wt \% formulations, indicating partial recovery of mechanical integrity under mild thermal conditions due to reversible hydrogen bonding. These findings demonstrate the potential of SAMs as functional additives for developing robust, thermally stable, and self-healing DLP-printed materials for advanced engineering applications.

}, keywords = {3D printing, hydrogen bonding, Self-assembly, Self-healing, Triple G-C-T nucleobase}, issn = {2637-6105}, doi = {10.1021/acsapm.5c03306}, author = {Gawande, Akshay J. and Kamble, Ganesh N. and Singh, Dharmendra and Sanjayan, Gangadhar. J. and Nair, Kiran Sukumaran} } @article {49519, title = {Triple G-C-T base-coded self-assembling water-soluble nucleobase monomers with a broad scope for biomaterial and protein bioconjugation applications}, journal = {Journal of Organic Chemistry}, volume = {90}, year = {2025}, month = {FEB}, pages = {2822-2829}, type = {Article}, abstract = {

We report self-assembling water-soluble nucleobase monomers with a broad scope for biomaterial and protein bioconjugation applications. These nucleobase monomers are adorned with nature-inspired triple G-C-T nucleobases featuring three recognition sites: DDA (G mimic), DAA (C mimic), and ADA (T mimic). Using readily accessible starting materials, these monomers can be synthesized in excellent yields, making them good choices for diverse applications. Their unique structural features, coupled with their water solubility, may offer exciting opportunities for the creation of new biomaterials.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.4c02745}, author = {Singh, Dharmendra and Gone, Nilu V. and Bandi, Kiran and Davis, Disiya and Nair, Kiran Sukumaran and Sanjayan, Gangadhar J.} } @article {49793, title = {Tunable, amine-functionalized porous silica catalyst for CO2 transformation into cyclic organic carbonates at atmospheric pressure}, journal = {Chemistry-A European Journal}, volume = {31}, year = {2025}, month = {AUG }, type = {Article}, abstract = {

A silica catalyst with characteristic features of broad pore size distribution, large pore width and tunable basic sites was synthesized by a one-step green co-condensation synthesis method analogous to SBA-15 synthesis. The surface chemical features of the above catalyst were explored by XPS, N-2 and CO2 adsorption and desorption experiments. The catalyst showed 90\% conversion of styrene oxide (SO) with nearly complete selectivity toward styrene carbonate (SC) in 7 hours under a solvent-free condition at a temperature of 120 degrees C with the aid of co-catalyst tetrabutylammonium bromide (TBAB). Moreover, the catalyst demonstrates versatility with various epoxide substrates, providing valuable insights into the cycloaddition reaction under ambient pressure conditions involving carbon dioxide. The mechanistic details of the catalytic conversion were investigated by the in-situ DRIFT studies and reported here.

}, keywords = {CO2 fixation, cyclic organic carbonates, heterogeneous catalysis, in-situ FTIR}, issn = {0947-6539}, doi = {10.1002/chem.202500873}, author = {Gorai, Twinkle and Thanasekar, Chandragopal and Kumar, Pawan and Babu, Athira and Kurungot, Sreekumar and Vinod, C. P.} } @article {50028, title = {Thiophenol-mediated metal-free chemoselective conjugate reduction strategy for 3-alkylidene oxindoles}, journal = {RSC Advances }, volume = {16}, year = {2026}, month = {FEB }, pages = {7702-7706}, type = {Article}, abstract = {

A mild and metal-free thiophenol-mediated chemoselective conjugate reduction of 3-alkylidene oxindoles via a thiol-ene-type Michael addition was effectively carried out. Thiophenol as an efficient reductant is used in DMSO, and the transformation proceeds without the need for metal catalyst, external hydrogen source, or harsh reagents. The reaction displays a broad substrate scope, accommodating both electron-donating and electron-withdrawing substituents, and delivers 3-alkyloxindoles in high yields with excellent beta-selectivity. This sustainable and operationally simple method unveils a distinct thiol-mediated reduction mechanism, providing a green and versatile approach for accessing reduced oxindole derivatives and related Michael acceptors.

}, doi = {10.1039/d5ra09175f}, author = {Patil, Baliram R. and Nichinde, Chandrakant B. and Girase, Amardipsing S. and Chaudhari, Suryakant S. and Kinage, Anil K.} } @article {50025, title = {Total synthesis of lucidimines/ganocalicines A/B, sinensine E, and ganocochlearine E}, journal = {Organic Letters}, volume = {28}, year = {2026}, month = {JAN}, pages = {1241-1246}, type = {Article}, abstract = {

The central tetracyclic framework shared by the Ganoderma alkaloids-lucidimines/ganocaclicines A and B, sinensine E, and ganocochlearine E-appears inherently predisposed to arise from a diyne-nitrile cyclotrimerization event. A Co(I)-catalyzed intramolecular [2 + 2 + 2]-alkynenitrile cyclotrimerization has been employed to accomplish the first racemic and enantioselective total syntheses of sinensine E, lucidimine A, and ganocochlearine E, thereby establishing/revising their assigned stereochemical structures.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.5c04999}, author = {Sai, Godi Kiran Venkata and Ramana, Chepuri V.} } @article {49953, title = {Transition metal complexes of Thiadiazole-Picolinic acid: Crystal structures, DFT insights and anticancer activity}, journal = {Journal of Molecular Structure}, volume = {1354}, year = {2026}, month = {MAR 5}, pages = {144763}, type = {Article}, abstract = {

Five novel transition metal complexes [Ni(H2aeth)2(Pic)2] (1), [Co(H2aeth)2(Pic)2] (2), [Ni(H2aeth)2(Pic)(HPic)] ClO4 (3), [Co(H2aeth)2(Pic)(HPic)]ClO4 (4) and [Zn(H2aeth)2 (Pic)(HPic)]ClO4 (5) were synthesized using a 2amino-5-ethylthio-1,3,4-thiadiazole (H2aeth) and picolinic acid (HPic) as co-ligands. These complexes were characterized by FT-IR, UV-Vis., X-ray photoelectron spectroscopy, TG-DTA, and single-crystal X-ray techniques. Crystallographic analysis confirmed distorted octahedral geometries around the metal centers with extensive hydrogen bonding networks promoting supramolecular assembly in the solid state. X-ray photoelectron spectroscopy (XPS), validated the +2 oxidation state of each metal center. Thermal studies indicated multistep decomposition processes resulting in the formation of metal oxides. Density functional theory (DFT) and timedependent DFT calculations were employed to explore electronic structures and predict UV-Vis. transitions, which showed good agreement with experimental data. Frontier molecular orbital (FMO) analysis revealed that Ni(II) complexes 1 and 3 are softer and more reactive, consistent with their observed biological activity. The anticancer potential of complexes 1-5 was evaluated in vitro using the MCF-7 human breast cancer cell line and the MTT assay. Complex 1 exhibited the strongest cytotoxicity (IC50 = 26.5 mu g/mL) followed by complexes 3 (34.9 mu g/mL), 4 (46.4 mu g/mL), 2 (81.1 mu g/mL), and 5 (103.3 mu g/mL). The observed activity trends correlate with metal identity and coordination environment, underlining the role of electronic and structural factors in modulating bioactivity. These findings suggest that thiadiazole-picolinate metal complexes, particularly those based on Ni (II), are promising scaffolds for anticancer drug development.

}, keywords = {Anti-cancer activity, crystal structure, DFT calculation, MCF-7 cell line, Picolinic acid, Thiadiazole complexes}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2025.144763}, author = {Torambetov, Batirbay and Khojabaeva, Gulnaz and Bharty, M. K. and Gupta, Sushil K. and Kadirova, Shakhnoza and Pradeep, S. and Dastager, Syed G. and Gonnade, Rajesh G.} } @article {50027, title = {Tuning the electric dipole transitions (5D0 {\textrightarrow} 7F2 and 5D0 {\textrightarrow} 7F4) in thin Eu-doped BiOCl nanosheets}, journal = {Journal of Physical Chemistry C}, volume = {130}, year = {2026}, month = {MAR}, pages = {3504-3517}, type = {Article}, abstract = {

The polarization and depolarization of layered ferroelectric materials can be tuned by altering the thickness of nanosheets, apart from controlling inter/intralayer distances, doping of ions, the surrounding dielectric environment, etc. In two-dimensional, single-crystalline ferroelectric nanosheets, the reduction in the thickness facilitates the internal electric field (IEF), which leads to enhanced depolarization. BiOCl is a layered ferroelectric material with repeating layers of [Bi2O2](2+), which exhibit anisotropy. However, the depolarization and polarization of BiOCl are significantly influenced by the thicknesses of its nanosheets. Herein, 1-dodecanethiol-capped europium (Eu3+)-doped BiOCl thin nanosheets resembling a two-dimensional structure have been synthesized using the solid-state grinding method at ambient temperature. As a result of the depolarization effect, the strength of the electric dipole transitions D-5(0) -\> F-7(2) and D-5(0) -\> F-7(4) increases in the Eu-doped BiOCl nanosheets. However, thiol capping helps in synthesizing uniform 2D nanosheets with reduced vertical dimensions (thickness near 15-30 nm). It is observed that all of the prepared samples with varying Eu ion concentrations show uniform nanosheet-like morphology, as confirmed by electron microscopy (FESEM and HRTEM). As the concentration of Eu ions increases in the BiOCl host lattice, the intensity of electric dipole transitions also increases (until 9 mol \%). Fourier transform infrared spectroscopy (FT-IR) reveals the coating of 1-dodecanthiol on the Eu-doped BiOCl molecule. Furthermore, the Eu-doped BiOCl samples showed prominent far-red emission at 700 nm, corresponding to the D-5(0) -\> F-7(4) transition. Moreover, this work emphasizes the synthesis of Eu-doped phosphor at an ambient temperature of 24 +/- 2 degrees C and generates a deeper understanding of the abnormal electric dipole (D-5(0) -\> F-7(4)) transition.

}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.5c07685}, author = {Singh, Dinesh and Poddar, Pankaj} }