01649nas a2200193 4500008004100000022001400041245010400055210006900159260007100228300001400299490000700313520092400320100001501244700001701259700001801276700001701294700001901311856012501330 2005 eng d a0743-746300aHeavy-metal remediation by a fungus as a means of production of lead and cadmium carbonate crystals0 aHeavymetal remediation by a fungus as a means of production of l a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcAUG a7220-72240 v213 a

We show here that reaction of the fungus, Fusarium oxysporum, with the aqueous heavy-metal ions Pb2+ and Cd2+ results in the one-step formation of the corresponding metal carbonates. The metal carbonates are formed by reaction of the heavy-metal ions with CO2 produced by the fungus during metabolism and thus provide a completely biological method for production of crystals of metal carbonates. The PbCO3 and CdCO3 crystals thus produced have interesting morphologies that are shown to arise because of interaction of the growing crystals with specific proteins secreted by the fungus during reaction. An additional advantage of this approach is that the reaction leads to detoxification of the aqueous solution and could have immense potential for bioremediation of heavy metals. Under conditions of this study, the metal ions are not toxic to the fungus, which readily grows after exposure to the metal ions.

1 aSanyal, A.1 aRautaray, D.1 aBansal, Vipul1 aAhmad, Absar1 aSastry, Murali uhttps://library.ncl.res.in/content/heavy-metal-remediation-fungus-means-production-lead-and-cadmium-carbonate-crystals-001915nas a2200169 4500008004100000020001800041245010000059210006900159260009600228300001200324520119600336100001801532700002301550700002501573700001901598856012801617 2005 eng d a1-57498-218-400aHigh magnetic aspects of nanosized NiZn ferrite powders synthesized by an autocombustion method0 aHigh magnetic aspects of nanosized NiZn ferrite powders synthesi aSan Francisco, CAbAmer Ceramic Soc, 735 Ceramic Place, Westerville, OH 43081-8720 USAcAUG a149-1543 a

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

1 aDeka, Sasanka1 aDate, Sadgopal, K.1 aJoy, Pattayil, Alias1 aSoohoo, R., F. uhttps://library.ncl.res.in/content/high-magnetic-aspects-nanosized-nizn-ferrite-powders-synthesized-autocombustion-method-002364nas a2200253 4500008004100000022001400041245022000055210006900275260010600344300001400450490000700464520128900471653002301760653002501783653002801808653002301836653001801859653002601877100001801903700002001921700002401941700002101965856012401986 2005 eng d a0031-942200aHigher accumulation of proteinase inhibitors in flowers than leaves and fruits as a possible basis for differential feeding preference of Helicoverpa armigera on tomato (Lycopersicon esculentum Mill, Cv. Dhanashree)0 aHigher accumulation of proteinase inhibitors in flowers than lea aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcNOV a2659-26670 v663 a

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

10aaccumulation of PI10aHelicoverpa armigera10aLycopersicon esculentum10aMidgut proteinases10aPlant defense10aProteinase inhibitors1 aDamle, M., S.1 aGiri, Ashok, P.1 aSainani, Mohini, N.1 aGupta, Vidya, S. uhttps://library.ncl.res.in/content/higher-accumulation-proteinase-inhibitors-flowers-leaves-and-fruits-possible-basis-001600nas a2200217 4500008004100000022001400041245012300055210006900178260010500247300001200352490000800364520070000372653003101072653003801103653002701141653002301168100002601191700001401217700002201231856012901253 2005 eng d a0253-413400aHighly active and reusable catalyst from Fe-Mg-hydrotalcite anionic clay for friedel-crafts type benzylation reactions0 aHighly active and reusable catalyst from FeMghydrotalcite anioni aC V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIAbINDIAN ACADEMY SCIENCEScNOV a635-6390 v1173 a

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

10aactivation by calcinations10abenzylation of aromatic compounds10abenzylation of toluene10aFe-Mg-hydrotalcite1 aChoudhary, Vasant, R.1 aJha, Rani1 aChoudhari, P., A. uhttps://library.ncl.res.in/content/highly-active-and-reusable-catalyst-fe-mg-hydrotalcite-anionic-clay-friedel-crafts-type-002033nas a2200253 4500008004100000022001400041245009700055210006900152260007300221300001200294490000800306520115300314653001201467653001301479653002701492653002501519653001101544100001301555700002201568700002801590700001701618700002101635856012301656 2005 eng d a0926-860X00aHighly active and selective AlSBA-15 catalysts for the vapor phase tert-butylation of phenol0 aHighly active and selective AlSBA15 catalysts for the vapor phas aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcMAR a207-2130 v2813 a

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

10aAcidity10aAlSBA-1510aaluminum incorporation10abutylation of phenol10aSBA-151 aVinu, A.1 aDevassy, Biju, M.1 aHalligudi, Shivaraj, B.1 aBohlmann, W.1 aHartmann, Martin uhttps://library.ncl.res.in/content/highly-active-and-selective-alsba-15-catalysts-vapor-phase-tert-butylation-phenol-002148nas a2200289 4500008004100000022001400041245009200055210006900147260006900216300001400285490000800299520114100307653003301448653002801481653002601509653002901535100001801564700001801582700001801600700001901618700001901637700002201656700002101678700001801699700002301717856011801740 2005 eng d a0022-328X00aHighly active new alpha-diimine nickel catalyst for the polymerization of alpha-olefins0 aHighly active new alphadiimine nickel catalyst for the polymeriz aPO BOX 564, 1001 LAUSANNE, SWITZERLANDbELSEVIER SCIENCE SAcMAR a1314-13230 v6903 a

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

10aalpha-diimine nickel complex10aEthylene polymerization10alate transition-metal10apropylene polymerization1 aLiu, Hua-Rong1 aGomes, P., T.1 aCosta, S., I.1 aDuarte, M., T.1 aBranquinho, R.1 aFernandes, A., C.1 aChien, J., C. W.1 aSingh, R., P.1 aMarques, Maria, M. uhttps://library.ncl.res.in/content/highly-active-new-alpha-diimine-nickel-catalyst-polymerization-alpha-olefins-102001nas a2200265 4500008004100000022001400041245014200055210006900197260009500266300001000361490000800371520084800379653003701227653001301264653004301277653002901320653005801349653003101407653005201438653004001490100002601530700002401556700002401580856013101604 2005 eng d a0021-951700aHigh-temperature stable and highly active/selective supported NiCoMgCeOx catalyst suitable for autothermal reforming of methane to syngas0 aHightemperature stable and highly activeselective supported NiCo a525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USAbACADEMIC PRESS INC ELSEVIER SCIENCEcJUL a36-400 v2333 a

Low-surface-area, macroporous, zirconia-haffnia-supported NiCoMgOx and NiCoMgCeOx (Ni/Co/Mg/Ce = 1/0.2/1.2/0.0 or 1.2) catalysts, precalcined at high temperature ( 1400 degrees C for 4 h), showed both high activity (> 98% conversion) and selectivity ( > 95%) in the catalytic partial oxidation of methane (CPOM) to syngas. Their performance remained unchanged even after they were subjected to higher temperature (> 2000 degrees C for 30 min) or a number of high-temperature (> 2000 degrees C) shocks, due to their direct exposure to an oxyacetylene flame. The supported NiCoMgCeOx, however, showed superior performance in the steam and CO2 reforming reactions because of its much higher lattice oxygen mobility. Hence it is more suitable for the autothermal reforming of methane. (c) 2005 Elsevier Inc. All rights reserved.

10aautothermal reforming of methane10aCatalyst10acatalytic partial oxidation of methane10aCO2 reforming of methane10ahigh-temperature stable supported NiCoMgCeOx catalyst10asteam reforming of methane10azirconia-haffnia-supported NiCoMgCeOx catalysts10azirconia-haffnia-supported NiCoMgOx1 aChoudhary, Vasant, R.1 aMondal, Kartick, C.1 aMamman, Ajit, Singh uhttps://library.ncl.res.in/content/high-temperature-stable-and-highly-activeselective-supported-nicomgceox-catalyst-suitable-000879nas a2200145 4500008004100000022001400041245009700055210006900152260011000221300001400331520023100345100002000576700001400596856012300610 2005 eng d a1359-734500aHollow gold and platinum nanoparticles by a transmetallation reaction in an organic solution0 aHollow gold and platinum nanoparticles by a transmetallation rea aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcFEB a1684-16863 aTransmetallation reaction between hydrophobized silver nanoparticles with hydrophobized chloroaurate and chloroplatinate ions in chloroform results in the formation of hollow gold and platinum shell nanoparticles respectively.1 aSelvakannan, PR1 aSastry, M uhttps://library.ncl.res.in/content/hollow-gold-and-platinum-nanoparticles-transmetallation-reaction-organic-solution-001583nas a2200181 4500008004100000022001400041245007200055210006900127260007100196300001400267490000700281520092200288100001901210700001901229700001901248700002901267856010501296 2005 eng d a0888-588500aHydrodynamics of trickle-bed reactors: experiments and CFD modeling0 aHydrodynamics of tricklebed reactors experiments and CFD modelin a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcAUG a6278-62940 v443 a

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

1 aGunjal, P., R.1 aKashid, M., N.1 aRanade, V., V.1 aChaudhari, Raghunath, V. uhttps://library.ncl.res.in/content/hydrodynamics-trickle-bed-reactors-experiments-and-cfd-modeling-101631nas a2200229 4500008004100000022001400041245010700055210006900162260007300231300001200304490000800316520077600324653002701100653002101127653002301148653001301171653001201184100002601196700002201222700002901244856012801273 2005 eng d a1381-116900aHydroformylation of 1-hexene using Rh/TPPTS complex exchanged on anion exchange resin: kinetic studies0 aHydroformylation of 1hexene using RhTPPTS complex exchanged on a aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcMAY a179-1860 v2323 a

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

10aheterogenized catalyst10aHydroformylation10aion-exchange resin10akinetics10aRhodium1 aDiwakar, Makarand, M.1 aDeshpande, R., M.1 aChaudhari, Raghunath, V. uhttps://library.ncl.res.in/content/hydroformylation-1-hexene-using-rhtppts-complex-exchanged-anion-exchange-resin-kinetic-101125nas a2200145 4500008004100000022001400041245017200055210006900227260011000296300001400406520039200420100001700812700001800829856013200847 2005 eng d a1359-734500aHydrogen bond mediated open-frame networks in coordination polymers: supramolecular assemblies of Pr(III) and 3,5-dinitro-4-methylbenzoic acid with aza-donor compounds0 aHydrogen bond mediated openframe networks in coordination polyme aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcFEB a1824-18263 a

A coordination assembly of 3,5-dinitro-4-methylbenzoic acid and Pr(III), synthesized by hydrothermal methods forms a host structure, which is stable up to 300 degrees C, through C-H center dot center dot center dot O hydrogen bonds and accommodates different types of guest species varying from simple molecules like water to larger molecules like trans-1,2-bis(4-pyridyl) ethene.

1 aVarughese, S1 aPedireddi, VR uhttps://library.ncl.res.in/content/hydrogen-bond-mediated-open-frame-networks-coordination-polymers-supramolecular-assemblies-001226nas a2200193 4500008004100000022001400041245017100055210006900226260006100295300001000356490000700366520039900373653003400772653002200806653003300828100002600861700001600887856012900903 2005 eng d a1011-372X00aHydrogen peroxide formation in the interaction of oxygen with boron-containing Pd catalysts prereduced by hydrazine in aqueous acidic medium containing bromide anions0 aHydrogen peroxide formation in the interaction of oxygen with bo a233 SPRING STREET, NEW YORK, NY 10013 USAbSPRINGERcJAN a79-810 v993 a

Interaction of molecular oxygen with Pd/BPO4 or ZrO2 (or Al2O3, CeO2, TiO2) - B2O3 catalysts, prereduced by hydrazine hydrate, in an aqueous acidic (H2SO4 or H3PO4) reaction medium containing bromide ions leads to the formation of H2O2. However, in the absence of boron in the catalyst and also in the absence of acid and/or bromide ions in the reaction medium, almost no H2O2 is formed.

10aboron-containing Pd catalysts10aHydrogen peroxide10aoxygen-catalyst interactions1 aChoudhary, Vasant, R.1 aSamanta, C. uhttps://library.ncl.res.in/content/hydrogen-peroxide-formation-interaction-oxygen-boron-containing-pd-catalysts-prereduced-002214nas a2200277 4500008004100000022001400041245010600055210006900161260007700230300001200307490000800319520117400327653004101501653004501542653002301587653002801610653001301638100001901651700002101670700002301691700002301714700001501737700002801752700002501780856013101805 2005 eng d a1022-135200aHydrophobically modified poly(acrylic acid) using 3-pentadecylcyclohexylamine: synthesis and rheology0 aHydrophobically modified polyacrylic acid using 3pentadecylcyclo aPO BOX 10 11 61, D-69451 WEINHEIM, GERMANYbWILEY-V C H VERLAG GMBHcFEB a464-4720 v2063 a

Hydrophobically modified poly(acrylic acid) was synthesized using 3-pentadecylcyclohexylamine (3-PDCA), which was in turn synthesized from 3-pentadecylphenol, one of the components of cashew-nut shell liquid (CNSL), a renewable resource material. H-1 NMR spectra confirmed the incorporation of 3-PDCA onto PAA and a series of HMPs with three different molar concentrations, viz. congruent to 3, 5 and 7 mol-% of 3-PDCA, were synthesized. An increase in viscosity with increasing hydrophobic content was observed by rheological measurements. The critical association concentrations were determined using an Ubbelohde viscometer and a controlled stress rheometer. The stability of HMPs towards temperature and shear was studied. Rheological measurements showed that there was a steady increase in viscosity with increase in hydrophobe content due to the formation of reversible networks. These polymers exhibited gel-like behavior at low concentrations (greater than or equal to2 wt.-%) with an apparent yield stress (ca. 10 Pa) and showed shear thinning properties (non-Newtonian). However, below a critical concentration, c [eta], they showed Newtonian behavior.

10a3-pentadecylcyclohexylamine (3-PDCA)10ahydrophobically modified polymers (HMPs)10apoly(acrylic acid)10areversible associations10aRheology1 aShedge, A., S.1 aLele, Ashish, K.1 aWadgaonkar, P., P.1 aHourdet, Dominique1 aPcrrin, P.1 aChassenieux, Christophe1 aBadiger, Manohar, V. uhttps://library.ncl.res.in/content/hydrophobically-modified-polyacrylic-acid-using-3-pentadecylcyclohexylamine-synthesis-and-101570nas a2200229 4500008004100000022001400041245009500055210006900150260009100219300001200310490000700322520072500329653001601054653001201070653002601082653002301108100003301131700001701164700001901181700002001200856012001220 2006 eng d a0887-062400aHarvesting chemical information from the Internet using a distributed approach: chemxtreme0 aHarvesting chemical information from the Internet using a distri a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbASC, CINF; CSA Trust; CSJ; GDCh; KNCVcMAR a452-4610 v463 a

{The Internet is a comprehensive resource of chemical information which is at the same time largely unstructured. It provides a wealth of scientific information such as experimental data and requires a suitable automated data mining and analysis tool for its meaningful exploration. The Java based software presented here, ChemXtreme, is developed for harvesting chemical information from the Internet employing the Google API in combination with a distributed client/server text analysis architecture based on JavaRMI. It represents the first and until now the only toolkit for automated structured data retrieval from the Internet which is itself open source. ChemXtreme employs the ``search the search engine''

10acalcination10aclinker10aone-dimensional model10arotary cement kiln1 aKarthikeyan, Muthukumarasamy1 aKrishnan, S.1 aPandey, A., K.1 aBender, Andreas uhttps://library.ncl.res.in/content/harvesting-chemical-information-internet-using-distributed-approach-chemxtreme-102136nas a2200217 4500008004100000022001400041245019200055210006900247260010600316300001400422490000700436520118400443653003201627653003801659653001801697653001501715653002001730100002201750700001901772856012701791 2006 eng d a0040-402000aHaval-Argade contrathermodynamic rearrangement of alkylidenesuccinimides to alkylmaleimides via the corresponding isoimides: a general approach to alkyl and dialkyl substituted maleimides0 aHavalArgade contrathermodynamic rearrangement of alkylidenesucci aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcAPR a3557-35630 v623 a

A simple and efficient access to alkyl and dialkyl substituted maleimides has been demonstrated via the new contrathermodynamic rearrangement of (E)-alkylidenesuccinimides to alkylinaleimides. The (E)-alkylidenesuccinimides obtained from the Wittig-condensation of N-arylmaleimide with aliphatic aldehydes oil regioselective hydrolysis furnished the corresponding (E)-alkylidenesuccinanilic acids in 95-98% yields. The beta-alkylidenesuccinanilic acids oil treatment with cyanuric chloride in the presence of triethylamine gave the corresponding beta-alkylisomaleimides in 78-80% yields via the beta-alkylideneisosuccinimides with the exocyclic to endocyclic carbon-carbon double bond migration. The kinetically controlled products alkylisomaleimides in refluxing acetic acid furnished the thermodynamically controlled alkylinaleimides in 98% yield. The Wittig condensation of alkyl substituted isomaleimides/maleimides with aliphatic aldehydes gave the desired dialkyl substituted maleimides in high yields. A conversion of alpha-methylenesuccinanilic acids to alpha-methylisomaleimides has also been described, with 90% yield. (c) 2006 Elsevier Ltd. All rights reserved.

10aalkyl and dialkylmaleimides10acontrathermodynamic rearrangement10aisomaleimides10amaleimides10awittig coupling1 aHaval, Kishan, P.1 aArgade, N., P. uhttps://library.ncl.res.in/content/haval-argade-contrathermodynamic-rearrangement-alkylidenesuccinimides-alkylmaleimides-002480nas a2200217 4500008004100000022001400041245020600055210006900261260009500330300001000425490000800435520158100443653001102024653002202035653001402057653001502071653001302086100001602099700001802115856012902133 2006 eng d a0021-951700aHeterogenized vanadyl cations over modified silica surfaces: a comprehensive understanding toward the structural property and catalytic activity difference over mesoporous and amorphous silica supports0 aHeterogenized vanadyl cations over modified silica surfaces a co a525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USAbACADEMIC PRESS INC ELSEVIER SCIENCEcNOV a52-640 v2443 a

Using a postsynthesis grafting method, 3-aminopropyltriethoxysilane (3-APTS) was functionalized over silica gel and mesoporous silica materials like SBA-15 and MCM-41. Vanadyl cations were then immobilized over the functionalized amino groups of the silica samples and used as a catalyst in the liquid-phase oxidation reaction of cyclohexane. Elemental analysis, PXRD, TEM, N-2 adsorption-desorption isotherms, FTIR, C-13 and Si-29 MAS NMR, UV-vis, and EPR techniques were used to characterize the developed materials. Characterization results suggest that the percentage of 3-APTS grafting depends on the number of isolated and genlinal silanol sites of the support material, the solvents used during the grafting reactions, and the sample pretreatment conditions. We found that using toluene as the dispersing medium and Si-MCM-41 as a support provides the maximum amount of amine functionalization, and thereby the highest percentage of vanadium immobilization. Catalytic activity and metal leaching studies show that vanadium-immobilized mesoporous solids are more active and stable than the silica gel-functionalized vanadium catalyst and a framework-substituted V-MCM-41 catalyst. The enhanced activity and stability of the immobilized vanadium catalysts compared with the V-MCM-41 and silica gel samples are attributed to the active metal site isolations, as well as to the spatial restrictions imparted from the concave silica surfaces of the mesoporous solids rather than the convex silica surfaces of the silica gel sample. (c) 2006 Published by Elsevier Inc.

10a3-APTS10amesoporous solids10aOxidation10aSilica gel10aVanadium1 aShylesh, S.1 aSingh, A., R. uhttps://library.ncl.res.in/content/heterogenized-vanadyl-cations-over-modified-silica-surfaces-comprehensive-understanding-002531nas a2200277 4500008004100000022001400041245010800055210006900163260007300232300001200305490000800317520157300325653000601898653002601904653002901930653001501959653002001974653001301994653001702007653001202024100002302036700002102059700001702080700002802097856012802125 2006 eng d a1381-116900aHeteropoly acid supported on titania as solid acid catalyst in alkylation of p-cresol with tert-butanol0 aHeteropoly acid supported on titania as solid acid catalyst in a aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcAUG a324-3340 v2563 a

Butylation of p-cresol with tert-butanol was investigated on titania modified with 12-tungstophosphoric acid (TPA/TiO2) catalyst under vapor phase conditions. Catalysts with different TPA loadings (10-25 wt.%) and calcination temperatures (650-750 degrees C) were prepared by suspending titanium hydroxide in methanol solution of TPA followed by drying and calcination. These catalysts were characterized by surface area, XRD, P-31 MAS NMR, XPS, NH3-TPD, and FTIR pyridine adsorption. XRD results indicated that the presence of TPA retarded the crystallization of titania and stabilized TiO2 in anatase phase. P-31 MAS NMR indicated the presence of TPA in various forms (dispersed, highly fragmented and Keggin intact). These catalysts showed both Bronsted and Lewis acidity, and 20% TPA on TiO2 calcined at 700 degrees C (from here after words 20% TT 700) had the highest Bronsted as well as total acidity. Further, the catalytic activities were examined in tert-butylation of p-cresol with tent-butanol. The catalytic activity depended on TPA coverage, and the highest activity corresponded to the monolayer of TPA on titania. The most active catalyst 20% TT-700 gave 82% conversion of p-cresol and 89.5% selectivity towards 2-tert-butyl cresol (TBC), 2,6-di-tert-butyl cresol (DTBC) 7.5% and cresol-tert-butyl ether (CTBE) 3% under optimized conditions. The activity was always higher than that of WO3/ZrO2, sulfated zirconia (SZ), USY, H-beta zeolites and montmorillonite K-10 (K-10mont) under similar conditions. (c) 2006 Elsevier B.V. All rights reserved.

10a210a2-tert-butyl-p-cresol10a6-di-tert-butyl-p-cresol10aAlkylation10aheteropoly acid10ap-Cresol10atert-butanol10atitania1 aKumbar, Suresh, M.1 aShanbhag, G., V.1 aLefebvre, F.1 aHalligudi, Shivaraj, B. uhttps://library.ncl.res.in/content/heteropoly-acid-supported-titania-solid-acid-catalyst-alkylation-p-cresol-tert-butanol-000747nas a2200169 4500008004100000022001400041245014200055210006900197260007100266300001400337490000800351100002000359700002100379700002800400700001700428856013200445 2006 eng d a0002-786300aHigh performance poly(styrene-b-diene-b-styrene) triblock copolymers from a hydrocarbon-soluble and additive-free dicarbanionic initiator0 aHigh performance polystyrenebdienebstyrene triblock copolymers f a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcJUN a8158-81590 v1281 aMatmour, Rachid1 aMore, Arvind, S.1 aWadgaonkar, Prakash, P.1 aGnanou, Yves uhttps://library.ncl.res.in/content/high-performance-polystyrene-b-diene-b-styrene-triblock-copolymers-hydrocarbon-soluble-and-000624nas a2200145 4500008004100000022001400041245008700055210006900142260008900211300000800300490000800308100001700316700002600333856011900359 2006 eng d a1742-464X00aHighly acidic phytase from Aspergillus niger NCIM 563 under submerged fermentation0 aHighly acidic phytase from Aspergillus niger NCIM 563 under subm a9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLANDbFederat European Biochem SoccJUN a3010 v2731 aSoni, S., K.1 aKhire, Jayant, Malhar uhttps://library.ncl.res.in/content/highly-acidic-phytase-aspergillus-niger-ncim-563-under-submerged-fermentation-002067nas a2200181 4500008004100000022001400041245015200055210006900207260012500276300002300401490000800424520122300432100002101655700003101676700003001707700002201737856012601759 2006 eng d a0021-897900aHighly efficient organic-inorganic poly(3,4-ethylenedioxythiophene)-molybdenum trioxide nanocomposite electrodes for electrochemical supercapacitor0 aHighly efficient organicinorganic poly34ethylenedioxythiophenemo aCIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USAbAMER INST PHYSICScOCT aArticle No. 0743190 v1003 a

In this paper, we report a highly efficient organic-inorganic nanocomposite electrode with enhanced double layer capacitance, which has been synthesized using 3,4-ethylenedioxythiophene and crystalline molybdenum trioxide (MoO3) in the presence of an external oxidizing agent. The interlayer spacing of MoO3 upon intercalation expands from 6.93 to 13.46 A and is followed by an exfoliation and restacking process. The resulting nanocomposite is characterized by powder x-ray diffraction, scanning electron microscopy, transmission electron microscopy, x-ray photoelectron spectroscopy, and four probe conductivity measurements. The application potential of this nanocomposite as an electrode material for electrochemical supercapacitors has been investigated, highlighting the unusual enhancement of double layer capacitance of poly(3,4-ethylenedioxythiphene) (PEDOT-MoO3) nanocomposites (similar to 300 F g(-1)) compared to that of pristine MoO3 (similar to 40 mF g(-1)). The improved electrochemical performance is attributed to the intercalation of electronically conducting PEDOT between MoO3 layers with enhanced bidimensionality and an increase in the surface area. (c) 2006 American Institute of Physics.

1 aMurugan, Vadivel1 aViswanath, Annamraju, Kasi1 aGopinath, Chinnakonda, S.1 aVijayamohanan, K. uhttps://library.ncl.res.in/content/highly-efficient-organic-inorganic-poly34-ethylenedioxythiophene-molybdenum-trioxide-102207nas a2200265 4500008004100000245009000041210006900131260000800200300001200208490000700220520136600227100001701593700001901610700002501629700001901654700002001673700001901693700001601712700001801728700001801746700001801764700002001782700001901802856012001821 2006 eng d00aHigh-throughput screening of RNA polymerase inhibitors using a fluorescent UTP analog0 aHighthroughput screening of RNA polymerase inhibitors using a fl cDEC a968-9760 v113 a

RNA polymerase (RNAP) is a well-validated target for the development of antibacterial and antituberculosis agents. Because the purification of large quantities of native RNA polymerase from pathogenic mycobacteria is hazardous and cumbersome, the primary screening was carried out using Escherichia coli RNAP. The authors have developed a high-throughput screening (HTS) assay to screen for novel inhibitors of RNAP. In this assay, a fluorescent analog of UTP, gamma-amino naphthalene sulfonic acid (gamma-AmNS) UTP, was used as one of the nucleotide substrates. Incorporation of UMP in RNA results in the release of gamma-AmNS-PPi, which has higher intrinsic fluorescence than (gamma-AmNS) UTP. The assay was optimized in a 384-well format and used to screen 670,000 compounds at a concentration of 10 mu M. About 0.1% of the compounds showed more than 60% inhibition in the primary HTS. All the primary actives tested for dose response using the same assay had an EC50 below 100 mu M. Eighty percent of the primary HTS actives obtained using E. coli RNAP showed comparable activity against Mycobacterium smegmatis RNAP in the conventional radioactive assay. Activity of hits selected for the hit-to-lead optimization was also confirmed against Mycobacterium bovis RNAP which has > 99% sequence identity with Mycobacterium tuberculosis RNAP subunits.

1 aBhat, Jyothi1 aRane, Rajendra1 aSolapure, Suresh, M.1 aSarkar, Dhiman1 aSharma, Umender1 aHarish, M., N.1 aLamb, Sarah1 aPlant, Darren1 aAlcock, Peter1 aPeters, Steve1 aBarde, Shubhada1 aRoy, Raman, K. uhttps://library.ncl.res.in/content/high-throughput-screening-rna-polymerase-inhibitors-using-fluorescent-utp-analog01946nas a2200229 4500008004100000022001400041245011900055210006900174260010600243300001600349490000700365520104600372653001601418653001701434653001301451653002001464100002301484700002401507700002601531700002801557856013101585 2006 eng d a0040-402000aHybrid foldamer with unique architecture from conformationally constrained aliphatic-aromatic amino acid conjugate0 aHybrid foldamer with unique architecture from conformationally c aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcOCT a10141-101460 v623 a

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

10aAmino acids10aConformation10aFoldamer10aPeptidomimetics1 aSrinivas, Deekonda1 aGonnade, Rajesh, G.1 aRavindranathan, Sapna1 aSanjayan, Gangadhar, J. uhttps://library.ncl.res.in/content/hybrid-foldamer-unique-architecture-conformationally-constrained-aliphatic-aromatic-amino-001198nas a2200229 4500008004100000022001400041245008600055210006900141260005700210300001200267490000800279520041000287653001900697653002100716653002100737653001200758653001200770100001800782700002200800700002900822856011700851 2006 eng d a1011-372X00aHydroformylation of olefins using dispersed molecular catalysts on solid supports0 aHydroformylation of olefins using dispersed molecular catalysts  a233 SPRING ST, NEW YORK, NY 10013 USAbSPRINGERcAUG a129-1330 v1103 a

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

10acarbon support10aHeterogenization10aHydroformylation10aOlefins10aRhodium1 aPagar, N., S.1 aDeshpande, R., M.1 aChaudhari, Raghunath, V. uhttps://library.ncl.res.in/content/hydroformylation-olefins-using-dispersed-molecular-catalysts-solid-supports-002336nas a2200157 4500008004100000245017400041210006900215260000800284300001600292490000700308520168800315100001902003700001402022700001702036856012502053 2006 eng d00aHydrogen bonding and rate enhancement in the photoinduced polymerization of telechelic urethane methacrylates based on a cycloaliphatic system: tricyclodecane dimethanol0 aHydrogen bonding and rate enhancement in the photoinduced polyme cAUG a4384–43950 v443 a

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

1 aDeepak, V., D.1 aRajan, J.1 aAsha, S., K. uhttps://library.ncl.res.in/content/hydrogen-bonding-and-rate-enhancement-photoinduced-polymerization-telechelic-urethane00892nas a2200157 4500008004100000022001400041245012500055210006900180260007100249300001400320490000600334520023500340100001400575700001600589856012900605 2006 eng d a1523-706000aHydrophobic effects are dominant over secondary orbital interactions for a simple Diels-Alder reaction in salt solutions0 aHydrophobic effects are dominant over secondary orbital interact a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcMAY a2199-22020 v83 a

The stereoselectivity ratios for a Diels-Alder reaction between cyclopentadiene with methyl trans-crotonate carried out in salt solutions demonstrate the dominance of hydrophobic effects over secondary orbital interactions.

1 aSarma, D.1 aKumar, Anil uhttps://library.ncl.res.in/content/hydrophobic-effects-are-dominant-over-secondary-orbital-interactions-simple-diels-alder-000896nas a2200181 4500008004100000022001400041245006600055210006500121260010600186300001400292490000700306520023100313100001400544700001800558700002700576700001600603856009500619 2006 eng d a0040-403900aHydrophobic effects in a simple Diels-Alder reaction in water0 aHydrophobic effects in a simple DielsAlder reaction in water aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcJUN a3957-39580 v473 a

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

1 aSarma, D.1 aPawar, S., S.1 aDeshpande, Suvarna, S.1 aKumar, Anil uhttps://library.ncl.res.in/content/hydrophobic-effects-simple-diels-alder-reaction-water-002200nas a2200289 4500008004100000022001400041245008000055210006900135260007300204300001200277490000800289520115000297653003401447653001401481653001801495653003201513653003901545653002801584653002901612653002601641653004201667100003801709700001901747700001701766700001801783856010901801 2006 eng d a0926-860X00aHydrophobic, solid acid catalysts for production of biofuels and lubricants0 aHydrophobic solid acid catalysts for production of biofuels and  aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcNOV a148-1590 v3143 a

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

10aalcoholysis of vegetable oils10aBiodiesel10aBiolubricants10adouble-metal cyanides (DMC)10aesterification of free fatty acids10afatty acid alkyl esters10afatty acid methyl esters10asolid Fe-Zn catalysts10atransesterification of vegetable oils1 aSreeprasanth, Pulinthanathu, Sree1 aSrivastava, R.1 aSrinivas, D.1 aRatnasamy, P. uhttps://library.ncl.res.in/content/hydrophobic-solid-acid-catalysts-production-biofuels-and-lubricants-002121nas a2200241 4500008004100000022001400041245009900055210006900154260007300223300001200296490000700308520126100315653002101576653002501597653002701622653001101649653001301660653002501673100002301698700001501721700001801736856012501754 2006 eng d a0167-577X00aHydrothermal synthesis of MCM-41 using differently manufactured amorphous dioxosilicon sources0 aHydrothermal synthesis of MCM41 using differently manufactured a aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcAPR a957-9610 v603 a

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

10aCharacterization10adioxosilicon sources10aHydrothermal synthesis10aMCM-4110aporosity10aStructural stability1 aGaydhankar, T., R.1 aSamuel, V.1 aJoshi, P., N. uhttps://library.ncl.res.in/content/hydrothermal-synthesis-mcm-41-using-differently-manufactured-amorphous-dioxosilicon-001546nas a2200229 4500008004100000022001400041245014900055210006900204260010600273300001400379490000700393520059100400653001300991653001301004653004401017653004101061653001401102100002601116700002401142700001901166856013101185 2007 eng d a0040-403900aHexamethyldisilazane-iodine induced intramolecular dehydrative cyclization of diamides: a general access to natural and unnatural quinazolinones0 aHexamethyldisilazaneiodine induced intramolecular dehydrative cy aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcAPR a3243-32460 v483 a

A simple and efficient general approach to various quinazolinone scaffolds, including peptidomimetic examples, has been demonstrated by employing HMDS/I-2 for the intramolecular dehydrative cyclization of diamides. The protecting groups -Boc, -Fmoc and -Cbz tolerated the present reaction conditions and we did not observe any racemization. The present protocol has also been used as a key step for the efficient four-step syntheses of the naturally occurring quinazolinones, sclerotigenin, (-)-circumdatin-F and (-)-fumiquinazoline-F. (c) 2007 Elsevier Ltd. All rights reserved.

10adiamides10aHMDS/I-210aintramolecular dehydrative cyclizations10anatural and unnatural quinazolinones10asynthesis1 aKshirsagar, Umesh, A.1 aMhaske, Santosh, B.1 aArgade, N., P. uhttps://library.ncl.res.in/content/hexamethyldisilazane-iodine-induced-intramolecular-dehydrative-cyclization-diamides-general02358nas a2200157 4500008004100000245013100041210006900172260000800241300001800249490000700267520171600274100002001990700002002010700003102030856013902061 2007 eng d00aHighly air-stable anionic mononuclear and neutral binuclear palladium(ii) complexes for C−C and C−N bond-forming reactions0 aHighly airstable anionic mononuclear and neutral binuclear palla cNOV a11316–113270 v463 a

The short-bite aminobis(phosphonite), PhN{P(−OC10H6(μ-S)C10H6O−)}2 (2), containing a mesocyclic thioether backbone is synthesized by either treating PhN(PCl2)2 with 2 equiv of thiobis(2,2‘-naphthol) or reacting chlorophosphite (−OC10H6(μ-S)C10H6O−)PCl (1) with aniline in the presence of a base. Treatment of 2 with an equimolar amount of Pd(COD)Cl2 in the presence of H2O affords a P−N−P-bridged and P,S-metalated binuclear complex, [PhN(P(−OC10H6(μ-S)C10H6O−)-κP)2Pd2Cl2{P(−OC10H6(μ-S)C10H6O−)(O)-κP,κS}2] (3), whereas the same reaction with 2 equiv of Pd(COD)Cl2 in the presence of H2O and Et3N produces the mononuclear anionic complex [{(−OC10H6(μ-S)C10H6O−)P(O)-κP,κS}PdCl2](Et3NH) (5). By contrast, reaction of 2 with 2 equiv of Pd(COD)Cl2 and H2O in the absence of Et3N gives the hydrogen phosphonate coordinated complex [{(−OC10H6(μ-S)C10H6O−)P(OH)}PdCl2] (4) which converts to the anionic complex in solution or in the presence of a base. Compound 2 on treatment with Pt(COD)X2 (X = Cl or I) afforded P-coordinated four-membered chelate complexes [PhN(P(−OC10H6(μ-S)C10H6O−)-κP)2PtX2] (6 X = Cl, 7 X = I). The crystal structures of compounds 2, 3, 5, and 7 are reported. Compound 3 is the first example of a crystallographically characterized binuclear palladium complex containing a bidentate bridging ligand and its hydrolyzed fragments forming metallacycles containing a palladium−phosphorus σ bond. All palladium complexes proved to be very good catalysts for the Suzuki−Miyaura and Mizoroki−Heck cross-coupling and amination reactions with excellent turnover numbers (TON up to 1.46 × 105 in the case of the Suzuki−Miyaura reaction).

1 aPunji, Benudhar1 aMague, Joel, T.1 aBalakrishna, Maravanji, S. uhttps://library.ncl.res.in/content/highly-air-stable-anionic-mononuclear-and-neutral-binuclear-palladiumii-complexes-c%E2%88%92c-and-c01445nas a2200265 4500008004100000022001400041245005800055210005700113260007300170300001400243490000700257520060300264653001500867653001900882653001700901653001900918653002800937100002300965700002200988700001901010700001401029700002001043700002101063856009501084 2007 eng d a0167-577X00aHighly photostable dye entrapped core-shell particles0 aHighly photostable dye entrapped coreshell particles aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcOCT a4738-47420 v613 a

Organic dye namely Coumarin 7 has been entrapped in silica particles using a single silica precursor viz. tetraethylorthosilicate. Both bare Coumarin 7 dye and dye incorporated core-shell particles were studied. Investigations of these core-shell composites were carried out using different characterization techniques such as energy dispersive X-ray analysis, X-ray photoelectron spectroscopy and transmission electron microscopy. It has been shown that the photostability of dye molecules is improved along with an increase in photoluminescence. (c) 2007 Elsevier B.V. All rights reserved.

10acore-shell10acoumarin 7 dye10aLuminescence10aphotostability10atetraethylorthosilicate1 aEthiraj, Anita, S.1 aKharrazi, Sharmin1 aHebalkar, Neha1 aUrban, J.1 aSainkar, S., R.1 aKulkarni, S., K. uhttps://library.ncl.res.in/content/highly-photostable-dye-entrapped-core-shell-particles-002324nas a2200265 4500008004100000022001400041245013400055210006900189260007300258300001200331490000800343520134700351653001901698653002301717653001401740653002401754653002101778653002201799653002601821100002201847700002501869700002201894700001601916856012601932 2007 eng d a0378-775300aHigh-temperature, polymer-graphite hybrid composites for bipolar plates: effect of processing conditions on electrical properties0 aHightemperature polymergraphite hybrid composites for bipolar pl aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcJAN a702-7070 v1633 a

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

10abipolar plates10aconducting polymer10afuel cell10agraphite composites10ahybrid materials10apolyether sulfone10apolypherylene sulfide1 aRadhakrishnan, S.1 aRamanujam, B., T. S.1 aAdhikari, Arindam1 aSivaram, S. uhttps://library.ncl.res.in/content/high-temperature-polymer-graphite-hybrid-composites-bipolar-plates-effect-processing-001774nas a2200145 4500008004100000022001400041245007200055210006900127260007100196300001600267490000800283520121500291100001601506856010601522 2007 eng d a1520-610600aHomogeneous nucleation temperatures in aqueous mixed salt solutions0 aHomogeneous nucleation temperatures in aqueous mixed salt soluti a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcSEP a10985-109910 v1113 a

This is the first report on the measurement of homogeneous nucleation temperature, T-H, in the presence of aqueous mixed salt systems of varying compositions and ionic strengths. The T-H,T-m (T-H value in aqueous mixed salt system) data for these systems have been analyzed in terms of a simple empirical equation. The T-H.m. values in simple aqueous mixed salts like NaCl-KCl can be approximated by linear summation of the products of ionic strength fraction and the T-H values of pure salt solutions at the same ionic strength as that of the mixture. The empirical parameter, q(0), indicating ionic interaction is related to the viscosity B-coefficients. The T-H.m data, though correlated on the basis of the B-coefficients also depends upon the mixing of two ions of like charges. Further, a linear correlation exists between the q(0) parameter and self-diffusion coefficient, D-0, of the ionic solute. The q(0) parameter is also well correlated with the rotational correlation time, T-c(h)/T-c(0) of the ionic species involved in the mixtures. It is possible to compute T-H,T-m for the salt mixtures with no common ions from the knowledge of the T-H,T-m values of the salt mixtures with common ions.

1 aKumar, Anil uhttps://library.ncl.res.in/content/homogeneous-nucleation-temperatures-aqueous-mixed-salt-solutions-001920nas a2200229 4500008004100000022001400041245008400055210006900139260010600208300001400314490000700328520107600335653001801411653001501429653001901444653001701463653003201480100002101512700002001533700001901553856011801572 2007 eng d a0009-250900aHydrodynamics and liquid phase residence time distribution in mesh microreactor0 aHydrodynamics and liquid phase residence time distribution in me aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcDEC a7484-74930 v623 a

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

10ahydrodynamics10ahysteresis10aimage analysis10amicroreactor10aresidence time distribution1 aKulkarni, A., A.1 aGorasia, A., K.1 aRanade, V., V. uhttps://library.ncl.res.in/content/hydrodynamics-and-liquid-phase-residence-time-distribution-mesh-microreactor-001958nas a2200169 4500008004100000022001400041245012900055210006900184260007100253300001400324490000700338520124300345100002301588700002301611700002201634856013201656 2007 eng d a0888-588500aHydrodynamics of bubble column reactors at high gas velocity: experiments and computational fluid dynamics (CFD) Simulations0 aHydrodynamics of bubble column reactors at high gas velocity exp a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcDEC a8431-84470 v463 a

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

1 aRampure, Mohan, R.1 aKulkarni, Amol, A.1 aRanade, Vivek, V. uhttps://library.ncl.res.in/content/hydrodynamics-bubble-column-reactors-high-gas-velocity-experiments-and-computational-fluid-001796nas a2200193 4500008004100000022001400041245010200055210006900157260007100226300001400297490000700311520104000318100002201358700002601380700002401406700002201430700002101452856012901473 2007 eng d a0024-929700aHydrogen bonding in trivinyl monomers: implications for inclusion complexation and polymerization0 aHydrogen bonding in trivinyl monomers implications for inclusion a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcMAR a1824-18300 v403 a

Trimethylolpropane trimethacrylate (TMPTMA) formed a 1:2 inclusion complex (IC) with beta-cyclodextrin (beta-CD). Polymerization of the complex resulted in a soluble, linear polymer containing two pendant unsaturations per repeat unit since the methacryloyl groups included in the beta-CD cavity did not react with the growing radical chain. Trimethylolpropane triacrylate (TMPTA) formed a 1:1 complex with beta-CD. Yet a soluble polymer containing two pendant unsaturations per repeat unit was obtained. Computational analysis confirmed that in TMPTA hydrogen bonding between C-H center dot center dot center dot O=C brings two acryloyl groups in close vicinity of one another. As a result, both acryloyl groups were included in the same beta-CD cavity. Trimethylolpropane diacrylate 4-vinylbenzoate (TMPDAVB) once again formed 1:2 IC as a result of disruption of hydrogen bonds between two acryloyl groups. The study highlights that an understanding of the composition of the IC is more important than its stoichiometry alone.

1 aSatav, Sunita, S.1 aKarmalkar, Rohini, N.1 aKulkarni, Mohan, G.1 aMulpuri, Nagaraju1 aSastry, Narahari uhttps://library.ncl.res.in/content/hydrogen-bonding-trivinyl-monomers-implications-inclusion-complexation-and-polymerization02341nas a2200169 4500008004100000022001400041245015100055210006900206260007100275300001400346490000700360520161300367100002601980700002202006700001802028856012502046 2007 eng d a0888-588500aHydrogenation of hydrogen peroxide over palladium/carbon in aqueous acidic medium containing different halide anions under static/flowing hydrogen0 aHydrogenation of hydrogen peroxide over palladiumcarbon in aqueo a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcMAY a3237-32420 v463 a

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

1 aChoudhary, Vasant, R.1 aSamanta, Chanchal1 aJana, Prabhas uhttps://library.ncl.res.in/content/hydrogenation-hydrogen-peroxide-over-palladiumcarbon-aqueous-acidic-medium-containing02021nas a2200277 4500008004100000022001400041245012300055210006900178260009800247300001200345490000700357520099700364653002901361653002901390653002701419653001001446653002301456653002001479653001001499653000901509100002701518700001701545700002201562700002901584856013001613 2008 eng d a0749-158100aHeteronuclear dipolar decoupling effects on multiple-quantum and satellite-transition magic-angle spinning NMR spectra0 aHeteronuclear dipolar decoupling effects on multiplequantum and  aTHE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W SUSSEX, ENGLANDbJOHN WILEY & SONS LTDcOCT a948-9540 v463 a

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

10aheteronuclear broadening10aheteronuclear decoupling10ahomogeneous broadening10aMQMAS10aquadrupolar nuclei10aSolid-state NMR10aSTMAS10aTPPM1 aGanapathy, Subramanian1 aDelevoye, L.1 aArnoureux, J., P.1 aMadhu, Perunthiruthy, K. uhttps://library.ncl.res.in/content/heteronuclear-dipolar-decoupling-effects-multiple-quantum-and-satellite-transition-magic-002980nas a2200289 4500008004100000022001400041245013400055210006900189260007600258300001400334490000700348520191000355653001902265653002502284653001702309653001902326653002402345100002602369700001902395700003502414700002102449700002402470700002002494700002802514700001702542856013102559 2008 eng d a0947-653900aHeteropoly acid encapsulated SBA-15/TiO(2) nanocomposites and their unusual performance in acid-catalysed organic transformations0 aHeteropoly acid encapsulated SBA15TiO2 nanocomposites and their  aCOMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USAbWILEY-BLACKWELLcFEB a3200-32120 v143 a

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

10aBronsted acids10amesoporous materials10ananoreactors10ananotechnology10asupported catalysts1 aSawant, Dhanashri, P.1 aJustus, Josena1 aBalasubramanian, Veerappan, V.1 aAriga, Katsuhiko1 aSrinivasu, Pavuluri1 aVelmathi, Sivan1 aHalligudi, Shivappa, B.1 aVinu, Ajayan uhttps://library.ncl.res.in/content/heteropoly-acid-encapsulated-sba-15tio2-nanocomposites-and-their-unusual-performance-acid-001596nas a2200241 4500008004100000022001400041245010400055210006900159260009500228300001200323490000800335520066400343653002201007653002901029653003301058653002401091653002701115100002001142700001701162700001701179700002801196856013001224 2008 eng d a0021-951700aHeteropoly acid-based supported ionic liquid-phase catalyst for the selective oxidation of alcohols0 aHeteropoly acidbased supported ionic liquidphase catalyst for th a525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USAbACADEMIC PRESS INC ELSEVIER SCIENCEcOCT a232-2390 v2593 a

A supported ionic liquid strategy has been applied for the immobilization of a heteropolyacid, molybdovanadophosphoric acid, onto ionic liquid-modified mesoporous silica SBA-15. The immobilized catalyst demonstrated high activity in the aerobic oxidation of primary and secondary alcohols to aldehydes and ketones, respectively. No overoxidation of the primary alcohols to carboxylic acids was observed. Secondary alcohols were chemoselectively oxidized to ketones in the presence of primary alcohol, hetero atom, and allyl groups. This catalyst could be recycled five times without obvious loss of activity. (C) 2008 Elsevier Inc. All rights reserved.

10aAir as an oxidant10aMesoporous silica SBA-1510aMolybdovanadophosphoric acid10aSelective oxidation10aSupported ionic liquid1 aBordoloi, Ankur1 aSahoo, Suman1 aLefebvre, F.1 aHalligudi, Shivaraj, B. uhttps://library.ncl.res.in/content/heteropoly-acid-based-supported-ionic-liquid-phase-catalyst-selective-oxidation-alcohols-001721nas a2200217 4500008004100000022001400041245017000055210006900225260007300294300001200367490000800379520086100387653001501248653001901263653001901282653001301301653001601314100002201330700002401352856012701376 2008 eng d a1381-116900aHeteropolyacid supported on acidic clay: a novel efficient catalyst for alkylation of ethylbenzene with dilute ethanol to diethylbenzene in presence of C-8 aromatics0 aHeteropolyacid supported on acidic clay a novel efficient cataly aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcAPR a155-1610 v2853 a

Vapor phase alkylation of ethylbenzene with ethanol to diethylbenzene is industrially relevant. Diethylbenzene is an important raw material for the conversion of divinyl benzene monomer. Conventionally, it is prepared from diacetophenone by reduction. It is also prepared by vapor phase alkylation of ethylbenzene with ethylene using zeolitic catalysts. The efficacy of dodecatungsotphosphoric acid (DTPA) supported on acid treated clay has been evaluated in the current work in the alkylation of ethylbenzene with 80% (w/w) ethanol. 15% (w/w) DTPA/K-10 clay was found to be an efficient and robust catalyst. The use of aqueous ethanol and a mixed C-8 stream lowers the cost of production. A kinetic model is developed by studying the important process parameters with 15% (w/w) DTPA/K-10 as the catalyst. (c) 2008 Elsevier B.V. All rights reserved.

10aAlkylation10adiethylbenzene10aHeteropolyacid10akinetics10aSolid acids1 aBokade, Vijay, V.1 aYadav, Ganapati, D. uhttps://library.ncl.res.in/content/heteropolyacid-supported-acidic-clay-novel-efficient-catalyst-alkylation-ethylbenzene-001407nas a2200205 4500008004100000022001400041245007000055210006900125260007400194300001400268490000700282520066700289653002300956653002200979653002201001653002501023100002401048700002501072856010401097 2008 eng d a0141-549200aHexavalent chromate reduction by immobilized streptomyces griseus0 aHexavalent chromate reduction by immobilized streptomyces griseu aVAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDSbSPRINGERcJUN a1005-10100 v303 a

Hexavalent chromium, which is a mutagen and carcinogen, was efficiently reduced by Streptomyces griseus. This activity was associated with the cell. Cr6+ reduction by free as well as immobilized cells was studied: cells in PVA- alginate had the highest ( 100%) Cr6+ removal efficiency in 24 h with reduction rates similar to free cells. Immobilized cells completely reduced 25 mg Cr6+ l(-1) in 24 h. PVA- alginate immobilized cells could be reused four times to completely reduce 25 mg Cr6+ l(-1) in 24 h each time. Chromate in a simulated effluent containing Cu2+, Mg2+, Mn2+ and Zn2+ was completely reduced by PVA- alginate immobilized cells within 9 h.

10aChromate reduction10aImmobilized cells10apolyvinyl alcohol10aStreptomyces griseus1 aPoopal, Ashwini, C.1 aLaxman, Ryali, Seeta uhttps://library.ncl.res.in/content/hexavalent-chromate-reduction-immobilized-streptomyces-griseus-002106nas a2200205 4500008004100000022001400041245017300055210006900228260008200297300001200379490000700391520127200398653001401670653001401684653001901698653001001717100002101727700002401748856012801772 2008 eng d a0042-750000aHigh frequency occurrence of single cotyledonary embryo morphotype and repetitive somatic embryogenesis in `Thompson Seedless' crossed with seven grapevine male parents0 aHigh frequency occurrence of single cotyledonary embryo morphoty aGEILWEILERHOF, D-76833 SIEBELDINGEN, GERMANYbJKI-INSTITUT REBENZUCHTUNGcJAN a169-1740 v473 a

Direct somatic embryogenesis was observed in zygotic embryos rescued from intra- and inter-specific crosses between `Thompson Seedless' and seven male parents of grapevine when the embryos were cultured on Woody Plant Medium (WPM) supplemented with benzyladenine (1 mu M). Repetitive somatic embryogenesis occurred on the same medium, which also supported a high percentage of embryo maturation, germination and plantlet development. The cultures retained embryogenic potential for more than two years. We observed a high frequency occurrence of mono-cotyledonous embryo morphotype and other morphological variations in somatic embryos of all the crosses. The percentage of embryos having mono-, di-, tri-, multiple and abnormal cotyledons varied among the crosses. The overall percentage of monocot embryos was 35.50 %, as against 38.64 % of dicot embryos, while the germination rates for mono- and dicot- embryos were 24.44 % and 24.15 %, respectively. Shoot development was poor in tri- and multiple-cotyledonary embryos, while there was no shoot formation in abnormal embryos. We assume that the relatively high occurrence of single cotyledonary morphotype, may be due to the repetitive exposure of embryogenic tissues to a medium containing benzyladenine.

10acotyledon10aGrapevine10asomatic embryo10aVitis1 aBharathy, P., V.1 aAgrawal, Dinesh, C. uhttps://library.ncl.res.in/content/high-frequency-occurrence-single-cotyledonary-embryo-morphotype-and-repetitive-somatic-001081nas a2200205 4500008004100000022001400041245011600055210006900171260008400240300001200324490000700336520024600343100002600589700002800615700002100643700002500664700002500689700002900714856013200743 2008 eng d a0366-702200aHighly active nanostructured Co3O4 catalyst with tunable selectivity for liquid phase air oxidation of p-cresol0 aHighly active nanostructured Co3O4 catalyst with tunable selecti a1-5 KANDA-SURUGADAI CHIYODA-KU, TOKYO, 101-8307, JAPANbCHEMICAL SOC JAPANcMAR a310-3110 v373 a

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

1 aKshirsagar, Vikas, S.1 aVijayanand, Subramanian1 aPotdar, Hari, S.1 aJoy, Pattayil, Alias1 aPatil, Kashinath, R.1 aRode, Chandrashekhar, V. uhttps://library.ncl.res.in/content/highly-active-nanostructured-co3o4-catalyst-tunable-selectivity-liquid-phase-air-oxidation-001174nas a2200241 4500008004100000022001400041245012200055210006900177260006100246300001200307490000800319520032100327653001900648653001000667653001800677653001000695653002900705653001000734100002300744700002100767700001700788856012700805 2008 eng d a1011-372X00aHighly chemoselective catalytic system for hydrogenation of diketones to ketols: an environmentally benevolent system0 aHighly chemoselective catalytic system for hydrogenation of dike a233 SPRING STREET, NEW YORK, NY 10013 USAbSPRINGERcJAN a257-2600 v1203 a

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

10aChemoselective10adione10aHydrogenation10aketol10aruthenium phenanthroline10aWater1 aDeshmukh, Amit, A.1 aKinage, Anil, K.1 aKumar, Rajiv uhttps://library.ncl.res.in/content/highly-chemoselective-catalytic-system-hydrogenation-diketones-ketols-environmentally-001232nas a2200289 4500008004100000022001400041245012700055210006900182260007300251300001400324490000600338520019500344653001100539653001100550653002400561653001900585653002700604653001300631100001900644700001700663700002200680700003500702700002200737700002600759700002800785856012900813 2008 eng d a1566-736700aHighly efficient and chemo selective catalyst system for the synthesis of blossom orange fragrance and flavoring compounds0 aHighly efficient and chemo selective catalyst system for the syn aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcAPR a1671-16750 v93 a

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

10aAcetal10aacylal10aSilicotungstic acid10atungsten oxide10atungstophosphoric acid10aZirconia1 aJustus, Josena1 aVinu, Ajayan1 aDevassy, Biju, M.1 aBalasubramanian, Veerappan, V.1 aBohringer, Walter1 aFletcher, Jack, C. Q.1 aHalligudi, Shivaraj, B. uhttps://library.ncl.res.in/content/highly-efficient-and-chemo-selective-catalyst-system-synthesis-blossom-orange-fragrance-001244nas a2200265 4500008004100000022001400041245007100055210006700126260008600193300001200279490000700291520036600298653000600664653001600670653002000686653001400706653001800720100002500738700002100763700002500784700002000809700002100829700002900850856009900879 2008 eng d a0039-791100aHighly efficient sulfimidation of 1,3-dithianes by Cu(I) complexes0 aHighly efficient sulfimidation of 13dithianes by CuI complexes a325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USAbTAYLOR & FRANCIS INCcFEB a619-6250 v383 a

A series of four Cu(I) complexes were tested for sulfimidation of 1,3-dithianes in the presence of [N-(p-tolysulfonyl)imino]phenyliodinane (PhI = NTs) as the nitrene-transfer agent. Cu(TMPhen)(PPh3)Br is an efficient catalyst with more than 90% yield of the corresponding product with less reaction time as compared to the literature copper(I) complexes.

10a110a3-dithianes10aCu(I) complexes10aPhI = NTs10asulfimidation1 aGiribabu, Lingamallu1 aSingh, Surya, P.1 aPatil, Nandkumar, M.1 aKantam, Lakshmi1 aGupte, Sunil, P.1 aChaudhari, Raghunath, V. uhttps://library.ncl.res.in/content/highly-efficient-sulfimidation-13-dithianes-cui-complexes-001046nas a2200169 4500008004100000022001400041245007300055210006900128260010600197300001400303490000700317520038400324100002800708700002400736700002300760856009300783 2008 eng d a0957-416600aHighly selective approach for the total synthesis of (+)-heliconol A0 aHighly selective approach for the total synthesis of heliconol A aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcJUL a1568-15710 v193 a

The total synthesis of heliconol A, a representative of a new class of polyketide-derived hemiketals containing a reduced furanocyclopentane unit, has been achieved via the stereoselective reduction of a ketone, the face selective dihydroxylation, a Sonogashira coupling reaction, and a cis-selective reduction as the key steps. (C) 2008 Elsevier Ltd. All rights reserved.

1 aMohapatra, Debendra, K.1 aChatterjee, Bhaskar1 aGurjar, Mukund, K. uhttps://library.ncl.res.in/content/highly-selective-approach-total-synthesis-heliconol-001316nas a2200181 4500008004100000022001400041245012500055210006900180260007100249300001600320490000800336520056000344100002800904700001700932700002800949700003000977856012701007 2008 eng d a1932-744700aHighly selective catalytic hydrogenation of arenes using rhodium nanoparticles supported on multiwalled carbon nanotubes0 aHighly selective catalytic hydrogenation of arenes using rhodium a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcSEP a13317-133190 v1123 a

Rhodium nanoparticles (RhNPs; 4.9 +/- 0.4 nm) supported on multiwalled carbon nanotubes (Rh/MWNT), prepared by simple microwave treatment, show a remarkable catalytic activity for arene hydrogenation with enhanced turnover numbers of similar to 10000; disubstituted arenes show selective conversion of thermodynamically less favorable cis products (>80%). A series of arenes have been tested using various Rh-based catalysts, and a comparison of the results with that of reported rhodium catalysts shows unique selectivity under mild conditions.

1 aKakade, Bhalchandra, A.1 aSahoo, Suman1 aHalligudi, Shivappa, B.1 aPillai, Vijayamohanan, K. uhttps://library.ncl.res.in/content/highly-selective-catalytic-hydrogenation-arenes-using-rhodium-nanoparticles-supported-002512nas a2200229 4500008004100000022001400041245015100055210006900206260007300275300001400348490000600362520159700368653002101965653003301986653002402019653001102043100002102054700002102075700002602096700002902122856013102151 2008 eng d a1566-736700aHighly selective synthesis of mono-ethylene glycol phenyl ethers via hydroxyalkoxylation of phenols by cyclic carbonates using large pore zeolites0 aHighly selective synthesis of monoethylene glycol phenyl ethers  aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcAPR a1649-16550 v93 a

Hydroxyalkoxylation of phenols by cyclic carbonates catalyzed by alkali loaded large pore zeolites has been reported. The study shows that KL type zeolite was recyclable and selective in producing mono-ethylene glycol pheryl ethers in similar to 98.5% yield. Various substituted simple phenols were converted into mono-ethylene glycol ether of phenols with over 90% yields, except 3-bromo and 2-methyl phenols. Mono hydroxyl plienols such as hydroquinone, biphenol and BPA (2,2-bis(4-hydroxyphenyl)propane) also produce corresponding mono- and di-ethylene glycol ethers. The ratio of ethylene carbonate to phenol was found to be critical for selective formation of monoethylene glycol phenyl ether of phenols. A ratio of two results in formation of appreciable amount of diether derivative viz., 2-(2-phenoxyethoxy) ethanol. Compared to ethylene carbonate, a lower reactivity of 1,2-propane carbonate was found for hydroxyalkoxylation of phenol. It was found that ring opening at less hindered methylene carbon of 1,2-propylene carbonate prevailed giving rise to selective formation of beta-hydroxy phenyl ethers. The reactivity of ethylene carbonate towards O-alkylation versus transesterification of phenol has been explained on the basis of HSAB concept. Finally, it has been shown that yield of mono-ethylene glycol phenyl ether is controlled both by basicity and channel architecture of zeolite structure. KL zeolite was found to be the most effective zeolite because of it's intermediate basicity and one dimensional channel architect. (C) 2008 Elsevier B.V. All rights reserved.

10acyclic carbonate10aethylene glycol phenyl ether10ahydroxyalkoxylation10aphenol1 aKinage, Anil, K.1 aGupte, Sunil, P.1 aChaturvedi, Rajiv, K.1 aChaudhari, Raghunath, V. uhttps://library.ncl.res.in/content/highly-selective-synthesis-mono-ethylene-glycol-phenyl-ethers-hydroxyalkoxylation-phenols-002167nas a2200193 4500008004100000022001400041245010500055210006900160260010600229300001200335490000700347520136800354100002801722700002001750700002501770700002301795700003001818856012501848 2008 eng d a0008-622300aHigh-purity synthesis of scrolled mats of multi-walled carbon nanotubes using temperature modulation0 aHighpurity synthesis of scrolled mats of multiwalled carbon nano aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcAPR a567-5760 v463 a

Felt-like mats (6-7 mu m thick) of multimalled carbon nanotubes wrapped into scrolls have been synthesized by chemical vapor deposition from a toluene-ferrocene mixture using a temperature ramp from 680 degrees C to 550 degrees C in hydrogen-argon atmosphere. Thermogravimetric analysis reveals a very low catalyst content of ca. 1.25 wt% in the as-synthesized sample while, X-ray photo electron and Raman spectroscopies suggest the results matching with that of multiwalled carbon nanotubes. Considering, different time scales of various reactions and the diffusion of different reactants and products a tentative base growth mechanism has been proposed as per the available characterization data in conjunction with possible scrolling effects. Thermal expansion effects could explain a tentative mechanism for rolling action of sheets. Interestingly, electrical conductivity measurements as a function of temperature suggest a semiconducting behavior, despite being governed by different electron transport mechanisms with activation energies of 0.33 and 1.03 meV corresponding to two temperature ranges respectively. Cyclic voltammetry and electrochemical impedance analysis show a reversible redox behavior due to very low catalyst content and an irreversible etching of the Fe catalyst after acid treatment. (C) 2007 Elsevier Ltd. All rights reserved.

1 aKakade, Bhalchandra, A.1 aAllouche, Hatem1 aMahima, Subhramanyam1 aSathe, Bhaskar, R.1 aPillai, Vijayamohanan, K. uhttps://library.ncl.res.in/content/high-purity-synthesis-scrolled-mats-multi-walled-carbon-nanotubes-using-temperature-001470nas a2200229 4500008004100000022001400041245009800055210006900153260007700222300001400299490000700313520062400320653004800944653001400992653000901006653001601015653001401031100002301045700002301068700002301091856012601114 2008 eng d a1022-133600aHydrated clay for catalyst removal in copper mediated atom transfer radical polymerization(a)0 aHydrated clay for catalyst removal in copper mediated atom trans aPO BOX 10 11 61, D-69451 WEINHEIM, GERMANYbWILEY-V C H VERLAG GMBHcSEP a1538-15430 v293 a

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

10aAtom transfer radical polymerization (ATRP)10aCatalysts10aclay10aselectivity10asynthesis1 aMunirasu, Selvaraj1 aDeshpande, Ashwini1 aBaskaran, Durairaj uhttps://library.ncl.res.in/content/hydrated-clay-catalyst-removal-copper-mediated-atom-transfer-radical-polymerizationa-001689nas a2200217 4500008004100000022001400041245013600055210006900191260009200260300001400352490000600366520082800372653001301200653002401213653001401237100002401251700002601275700001801301700002101319856013101340 2008 eng d a1533-488000aHydrazine based facile synthesis and ordered assembly of metal nanoparticles (Au, Ag) on a bacterial surface layer protein template0 aHydrazine based facile synthesis and ordered assembly of metal n a26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USAbAMER SCIENTIFIC PUBLISHERScJUL a3565-35690 v83 a

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

10aBacteria10aMetal Nanoparticles10asynthesis1 aPuranik, Sarang, S.1 aJoshi, Hrushikesh, M.1 aOgale, S., B.1 aPaknikar, K., M. uhttps://library.ncl.res.in/content/hydrazine-based-facile-synthesis-and-ordered-assembly-metal-nanoparticles-au-ag-bacterial-001741nas a2200169 4500008004100000022001400041245012100055210006900176260007100245300001400316490000600330520103000336100002501366700002501391700002601416856012901442 2008 eng d a1528-748300aHydrogen bonding-directed metallosupramolecular structural motifs based on a peripheral urea fused bipyridine tecton0 aHydrogen bondingdirected metallosupramolecular structural motifs a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcJUN a1952-19600 v83 a

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

1 aDeshpande, Megha, S.1 aKumbhar, Avinash, S.1 aPuranik, Vedavati, G. uhttps://library.ncl.res.in/content/hydrogen-bonding-directed-metallosupramolecular-structural-motifs-based-peripheral-urea-001579nas a2200253 4500008004100000022001400041245008900055210006900144260007300213300001200286490000600298520067400304653001500978653002800993653002301021653002801044653002101072653002201093653003101115100002001146700001901166700001701185856012301202 2008 eng d a1566-736700aHydrogenation activity and selectivity behavior of supported palladium nanoparticles0 aHydrogenation activity and selectivity behavior of supported pal aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcMAR a441-4460 v93 a

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

10abutynediol10aCatalytic hydrogenation10ananosize palladium10aSelective hydrogenation10aSEM-EDX analysis10asize distribution10asupported Pd nanoparticles1 aNadgeri, J., M.1 aTelkar, M., M.1 aRode, C., V. uhttps://library.ncl.res.in/content/hydrogenation-activity-and-selectivity-behavior-supported-palladium-nanoparticles-002437nas a2200145 4500008004100000245013800041210006900179260000800248300001400256490000700270520185100277100001402128700001702142856013202159 2008 eng d00aHydrogen-bonding-induced conformational change from J to H aggregate in novel highly fluorescent liquid-crystalline perylenebisimides0 aHydrogenbondinginduced conformational change from J to H aggrega cDEC a169–1810 v203 a

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

1 aJancy, B.1 aAsha, S., K. uhttps://library.ncl.res.in/content/hydrogen-bonding-induced-conformational-change-j-h-aggregate-novel-highly-fluorescent-liquid02689nas a2200157 4500008004100000022001400041245012500055210006900180260007100249300001400320490000700334520202100341100001802362700001902380856013202399 2008 eng d a0743-746300aHydroxyl-functionalized polyaniline nanospheres: tracing molecular interactions at the nanosurface via vitamin C sensing0 aHydroxylfunctionalized polyaniline nanospheres tracing molecular a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcSEP a9754-97620 v243 a

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

1 aAnilkumar, P.1 aJayakannan, M. uhttps://library.ncl.res.in/content/hydroxyl-functionalized-polyaniline-nanospheres-tracing-molecular-interactions-nanosurface-002092nas a2200217 4500008004100000022001400041245008600055210006900141260006900210300001200279490000800291520131500299653002801614653001701642653002001659653001401679653001501693100002401708700002201732856012001754 2009 eng d a0925-400500aH(2)S gas sensitive indium-doped ZnO thin films: preparation and characterization0 aH2S gas sensitive indiumdoped ZnO thin films preparation and cha aPO BOX 564, 1001 LAUSANNE, SWITZERLANDbELSEVIER SCIENCE SAcDEC a164-1700 v1433 a

High quality indium-doped ZnO (IZO) thin films (similar to 100 nm) have been deposited onto the glass substrates by using a conventional spray pyrolysis technique. Precursors such as zinc acetate, indium chloride with Brij-35 (polyoxyethylene lauryl ether) as a non-ionic surfactant were used. The morphology, crystal structure, elemental analysis and the gas response properties were investigated by using SEM, TEM, XRD, AFM and XPS techniques. The films show hexagonal wurtzite structure which reveal variations in (100). (00 2) and (10 1) intensities with indium doping. The crystallite size calculated by Scherrer formula was in the range of 30-50 nm. The SEM and AFM analysis show 50-70 nm sized grains, while the TEM confirms formation of grains by similar to 10nm sized particles. Their response towards various gases was measured at different operating temperatures and different levels of In-dopants. The 3 at% In-doped ZnO showed response as high as 13,000 for 1000ppm H(2)S at 250 degrees C. It exhibited fast response (similar to 2s) and recovery time (similar to 4 min). The gas response strongly depends on the morphology and indium concentration. The high gas response of IZO is explained on the basis of thickness dependent trap state density. (C) 2009 Elsevier B.V. All rights reserved.

10aHydrogen sulfide sensor10aIndium oxide10aSpray pyrolysis10athin film10aZinc oxide1 aBadadhe, Satish, S.1 aMulla, Imtiaz, S. uhttps://library.ncl.res.in/content/h2s-gas-sensitive-indium-doped-zno-thin-films-preparation-and-characterization-001506nas a2200193 4500008004100000022001400041245008600055210006900141260007100210300001400281490000700295520076900302100002601071700002101097700002501118700002401143700002901167856011601196 2009 eng d a0888-588500aHeterogeneous cobalt-saponite catalyst for liquid phase air oxidation of p-cresol0 aHeterogeneous cobaltsaponite catalyst for liquid phase air oxida a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcNOV a9423-94270 v483 a

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

1 aKshirsagar, Vikas, S.1 aGarade, Ajit, C.1 aPatil, Kashinath, R.1 aJha, Ratnesh, Kumar1 aRode, Chandrashekhar, V. uhttps://library.ncl.res.in/content/heterogeneous-cobalt-saponite-catalyst-liquid-phase-air-oxidation-p-cresol-002137nas a2200253 4500008004100000022001400041245006600055210006600121260009200187300001800279490000800297520129000305653001401595653002501609653001301634653001401647100001901661700002501680700001701705700001501722700002101737700002501758856010001783 2009 eng d a1042-015000aHigh energy electron irradiation effects on polystyrene films0 aHigh energy electron irradiation effects on polystyrene films a4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLANDbTAYLOR & FRANCIS LTDcSEP aPII 9144664970 v1643 a

The effect of an 8MeV electron-beam on the structural, optical and dielectric properties of polystyrene films has been investigated respectively by means of Fourier transform infrared (FTIR) spectroscopy, ultraviolet-visible (UV-VIS) spectroscopy and electrical impedance (LCR) analysis over a radiation dose in the range of 50-250kGy using a Microtron accelerator. The FTIR spectral analysis shows no change in the overall structure of the irradiated polystyrene films, except a minor change in the intensity of a few peaks in the FTIR spectrum, indicating that polystyrene is resistant to electron-beam irradiation over the range of radiation doses investigated. The optical band gap analysis using the UV-VIS absorption spectra of the polystyrene shows a small decrease in the optical band gap (Eg) and the activation energy with an increase in electron doses. Further, the dielectric measurements over a frequency range of 100Hz to 1MHz for the electron-beam-irradiated polystyrene films show that both the dielectric constant and the dielectric loss increase with an increase in electron radiation dose, which may be ascribed to the formation of defect sites in the band gap of polystyrene as a consequence of molecular chain scission in the polymer films upon irradiation.

10aelectrons10aoptical spectroscopy10aPolymers10aradiation1 aMathad, R., D.1 aKumar, H., G. Harish1 aSannakki, B.1 aGanesh, S.1 aSarma, K., S. S.1 aBadiger, Manohar, V. uhttps://library.ncl.res.in/content/high-energy-electron-irradiation-effects-polystyrene-films-001479nas a2200241 4500008004100000022001400041245016200055210006900217260007500286300001400361520051000375653000600885653005000891653002500941653001600966653001500982653001200997100002501009700002501034700002601059700002301085856012901108 2009 eng d a0936-521400aHighly diastereoselective 1,3-dipolar cycloaddition of a D-galactose-derived nitrone with dimethyl maleate: synthesis of polyhydroxylated perhydroazaazulenes0 aHighly diastereoselective 13dipolar cycloaddition of a Dgalactos aRUDIGERSTR 14, D-70469 STUTTGART, GERMANYbGEORG THIEME VERLAG KGcJUL a1959-19633 a

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

10a110a3-dipolar nitrone olefin cycloaddition (DNOC)10adiastereoselectivity10aIminosugars10ainhibitors10anitrone1 aBande, Omprakash, P.1 aJadhav, Vrushali, H.1 aPuranik, Vedavati, G.1 aDhavale, Dilip, D. uhttps://library.ncl.res.in/content/highly-diastereoselective-13-dipolar-cycloaddition-d-galactose-derived-nitrone-dimethyl-000979nas a2200157 4500008004100000022001400041245011400055210006900169260011000238300001400348520026200362100002300624700001900647700002300666856013200689 2009 eng d a1359-734500aHighly efficient recyclable hydrated-clay supported catalytic system for atom transfer radical polymerization0 aHighly efficient recyclable hydratedclay supported catalytic sys aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcJUN a4518-45203 a

Atom transfer radical polymerization of methacrylates has been performed using hydrated natural clay as a support for a CuBr(2)-ligand complex and the supported clay catalyst has been recycled for 21 batch polymerizations without losing its activity.

1 aMunirasu, Selvaraj1 aAggarwal, Ravi1 aBaskaran, Durairaj uhttps://library.ncl.res.in/content/highly-efficient-recyclable-hydrated-clay-supported-catalytic-system-atom-transfer-radical-001177nas a2200229 4500008004100000022001400041245010100055210006900156260010600225300001200331490000700343520028100350653002000631653001600651653002100667653003200688653002800720100002800748700002400776700002300800856012400823 2009 eng d a0040-403900aHighly stereoselective approach toward the synthesis of the macrolactone core of amphidinolide W0 aHighly stereoselective approach toward the synthesis of the macr aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcFEB a755-7580 v503 a

The diastereoselective synthesis of the macrolactone core of amphidinolide W was successfully accomplished using Evans' asymmetric alkylation, Aldol reaction, Julia-Kocienski olefination, and Kita's macrocyclization protocol. (C) 2008 Elsevier Ltd. All rights reserved.

10aAmphidinolide W10aEvans aldol10aEvans alkylation10aJulia-Kocienski olefination10aKita's macrocyclization1 aMohapatra, Debendra, K.1 aChatterjee, Bhaskar1 aGurjar, Mukund, K. uhttps://library.ncl.res.in/content/highly-stereoselective-approach-toward-synthesis-macrolactone-core-amphidinolide-w-002401nas a2200193 4500008004100000245011600041210006900157260000800226300002600234490000600260520167800266100002401944700001701968700002701985700001902012700002102031700003102052856012402083 2009 eng d00aHuman blood vessel-derived endothelial progenitors for endothelialization of small diameter vascular prosthesis0 aHuman blood vesselderived endothelial progenitors for endothelia cNOV aArticle Number: e77180 v43 aBackground: Coronary bypass graft failure as a result of acute thrombosis and intimal hyperplasia has been the major challenge in surgical procedures involving small-diameter vascular prosthesis. Coating synthetic grafts with patients' own endothelial cells has been suggested to improve the patency rate and overall success of bypass surgeries. Methodology/Principal Findings: We isolated endothelial progenitor cells (EPCs) from leftover pieces of human saphenous vein/mammary artery. We demonstrate that EPCs can be expanded to generate millions of cells under low-density culture conditions. Exposure to high-density conditions induces differentiation to endothelial cell phenotype. EPC-derived endothelial cells show expression of CD144(high), CD31, and vWF. We then assessed the ability of differentiated endothelial cells to adhere and grow on small diameter expanded polytetrafluoroethylene (ePTFE) tubings. Since ePTFE tubings are highly hydrophobic, we optimized protocols to introduce hydrophilic groups on luminal surface of ePTFE tubings. We demonstrate here a stepwise protocol that involves introduction of hydrophilic moieties and coating with defined ECM components that support adhesion of endothelial cells, but not of blood platelets. Conclusion/Significance: Our data confirms that endothelial progenitors obtained from adult human blood vessels can be expanded in vitro under xenoprotein-free conditions, for potential use in endothelialization of small diameter ePTFE grafts. These endothelialized grafts may represent a promising treatment strategy for improving the clinical outcome of small-caliber vascular grafts in cardiac bypass surgeries.1 aRanjan, Amaresh, K.1 aKumar, Umesh1 aHardikar, Ashutosh, A.1 aPoddar, Pankaj1 aNair, Prabha, D.1 aHardikar, Anandwardhan, A. uhttps://library.ncl.res.in/content/human-blood-vessel-derived-endothelial-progenitors-endothelialization-small-diameter02049nas a2200157 4500008004100000245011700041210006900158260000800227300001600235490000700251520144300258100001901701700002201720700001901742856013001761 2009 eng d00aHybrid core-shell nanoparticles: photoinduced electron-transfer for charge separation and solar cell application0 aHybrid coreshell nanoparticles photoinduced electrontransfer for cOCT a5292–52990 v213 a

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

1 aGuchhait, Asim1 aRath, Arup, Kumar1 aPal, Amlan, J. uhttps://library.ncl.res.in/content/hybrid-core-shell-nanoparticles-photoinduced-electron-transfer-charge-separation-and-solar02168nas a2200241 4500008004100000022001400041245012000055210006900175260007300244300001200317490000800329520127700337653001801614653002401632653001301656653002201669653001901691653001401710100002101724700002501745700002901770856012701799 2009 eng d a1381-116900aHydroesterification of 2-vinyl-6-methoxynaphthalene using palladium complexes containing chelating nitrogen ligands0 aHydroesterification of 2vinyl6methoxynaphthalene using palladium aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcJUL a134-1410 v3073 a

Hydroesterification of 2-vinyl-6-methoxynaphthalene (VMN) to methyl ester of 6-methoxy naphthyl propionic acid (ester of naproxen) has been investigated using palladium complexes containing the chelating N(boolean AND)O and N(boolean AND)N ligands (pyridine-2-carboxylate, 2-acetylpyridine, 2-pyridine-carboxaldehyde, and bipyridine) as catalysts. Palladium complex containing 2-acetylpyridine as the ligand was found to be superior to other Pd-complexes. Both acid and halide promoters were necessary for high activity and selectivity. As an acid promoter, benzenesulfonic acid was found to be more effective compared to p-toluenesulfonic acid. Formation of ether 2-methoxy-6-(1-methoxyethyl)naphthalene and a polymer of VMN was observed in all the reactions. It was observed that active catalytic species generated during carbonylation reaction was responsible for the polymer formation. The effect of various parameters such as solvents, CO pressure, and alcohols on the catalytic activity as well as the selectivity was investigated. The turnover frequency using the complex Pd(acpy)(PPh(3))(OTs)(2) (acpy = 2-acetylpyridine) catalyst was found to be 42 h(-1), which is the highest for the hydroesterification of VMN. (C) 2009 Elsevier B.V. All rights reserved.

10aCarbonylation10aHydroesterification10aNaproxen10aPalladium complex10aPolymer of VMN10aPromoters1 aAtla, Shashi, B.1 aKelkar, Ashutosh, A.1 aChaudhari, Raghunath, V. uhttps://library.ncl.res.in/content/hydroesterification-2-vinyl-6-methoxynaphthalene-using-palladium-complexes-containing-002395nas a2200169 4500008004100000022001400041245011900055210006900174260007100243300001400314490000700328520168200335100002302017700002502040700002902065856013102094 2009 eng d a0888-588500aHydroformylation of 1,4-diacetoxy-2-butene using HRh(CO)(PPh3)(3) tethered on alumina as a catalyst: kinetic study0 aHydroformylation of 14diacetoxy2butene using HRhCOPPh33 tethered a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcNOV a9479-94890 v483 a

Hydroformylation of 1,4-diacetoxy-2-butene (DAB) was studied using [HRh(CO)(PPh3)(3)] complex catalyst tethered on alumina using phosphotungstic acid (PTA) as an anchoring agent, with the aim to understand the product distribution, selectivity, and intrinsic kinetics. It was observed that with the tethered heterogeneous catalyst a simultaneous hydroformylation followed by deacetoxylation steps was possible, which is relevant for combining two steps in the sequence of synthesis of vitamin-A intermediate [2-formyl-4-acetoxy butene (FAB)]. P-31 cross-polarization magic angle spinning nuclear magnetic resonance (CP MAS NMR) and infrared (IR) instrumental techniques were found be the most effective techniques to establish the catalyst structure and true heterogeneity. On the basis of the spectroscopic evidence, we postulate the loss of a PPh3 group during tethering to give HRh(CO)(PPh3)(2)-PTA-Al2O3 as a heterogeneous complex catalyst. Experimental data on the concentration-time and CO/H-2 consumption-time profiles were obtained and the effects of DAB concentration, CO partial pressure, H-2 partial pressure, and catalyst loading were studied in a 50 mL stirred batch reactor over a temperature range of 338-358 K. The analysis of solid-liquid-gas mass transfer effects was investigated to ensure that the reaction was operating in the kinetic regime Various models were developed, and the best model was chosen by a model discrimination procedure. The agreement between the model prediction and the experimental data was found to be excellent. The activation energies for the hydroformylation and deacetoxylation steps were found to be 42.5 and 80.2 kJ/mol.

1 aChansarkar, Rashmi1 aKelkar, Ashutosh, A.1 aChaudhari, Raghunath, V. uhttps://library.ncl.res.in/content/hydroformylation-14-diacetoxy-2-butene-using-hrhcopph33-tethered-alumina-catalyst-kinetic-001877nas a2200241 4500008004100000022001400041245012800055210006900183260009900252300001400351490000800365520092800373653002601301653002501327653002601352653002601378653002201404100002001426700002301446700002501469700001401494856012701508 2009 eng d a0960-852400aHydrolysis of cellulose derived from steam exploded bagasse by penicillium cellulases: comparison with commercial cellulase0 aHydrolysis of cellulose derived from steam exploded bagasse by p aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLANDbELSEVIER SCI LTDcDEC a6679-66810 v1003 a

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

10aAccellerase (TM) 100010aEnzymatic hydrolysis10aHigh beta-glucosidase10aPenicillium cellulase10aSugarcane bagasse1 aSingh, Rajkumar1 aVarma, Anjanikumar1 aLaxman, Ryali, Seeta1 aRao, Mala uhttps://library.ncl.res.in/content/hydrolysis-cellulose-derived-steam-exploded-bagasse-penicillium-cellulases-comparison-001566nas a2200205 4500008004100000022001400041245009400055210006900149260007500218300001400293520078700307653002401094653003401118653002101152653001401173653002201187100001901209700001701228856011501245 2009 eng d a0936-521400aHydrolytic kinetic resolution as an emerging tool in the synthesis of bioactive molecules0 aHydrolytic kinetic resolution as an emerging tool in the synthes aRUDIGERSTR 14, D-70469 STUTTGART, GERMANYbGEORG THIEME VERLAG KGcJUN a1367-13823 a

A variety of racemic epoxides mainly derived from terminal olefins, such as aliphatic epoxides, multifuncitonalized epoxides and amine-substituted epoxides, have been successfully resolved into the enantiomerically pure epoxides and diols using Jacobsen's hydrolytic kinetic resolution (HKR) method. The chiral epoxides thus prepared were further elaborated by synthetic manipulation to provide a variety Of Compounds of biological interest. A general synthetic strategy for the construction Of S synlanti-1,3-polyol systems using iterative HKR has been developed, which was subsequently utilized in the synthesis of natural products with a broad range of biological activity. The protocol for the 1,3-polyols was also further extended to the synthesis of 1,3-amino alcohols.

10aBiological activity10aHydrolytic kinetic resolution10aNatural products10asynthesis10aterminal epoxides1 aKumar, Pradeep1 aGupta, Priti uhttps://library.ncl.res.in/content/hydrolytic-kinetic-resolution-emerging-tool-synthesis-bioactive-molecules-001122nas a2200157 4500008004100000245010900041210006900150260000800219300001600227490000700243520051800250100002500768700001900793700002500812856012700837 2009 eng d00aHydrophosphonylation of activated alkenes and alkynes via fluoride ion activation in ionic liquid medium0 aHydrophosphonylation of activated alkenes and alkynes via fluori cJUL a7603–76100 v653 a

A simple transition metal-free hydro/hydrothiophosphonylation of Baylis–Hillman adducts, substituted allyl bromides, allenylphosphonates and alkynes, promoted by fluoride ion in ionic liquid, is described. Clear-cut evidence for fluoride activation of the phosphite via pentacoordinate phosphorus is provided for the first time. Also, in a comparative reaction, the product obtained was different from that from the palladium catalyzed one. Structures of key products are proven by X-ray crystallography.

1 aBalaraman, Ekambaram1 aSrinivas, Venu1 aSwamy, K., C. Kumara uhttps://library.ncl.res.in/content/hydrophosphonylation-activated-alkenes-and-alkynes-fluoride-ion-activation-ionic-liquid01995nas a2200229 4500008004100000022001400041245009000055210006900145260008700214300001200301490000700313520115800320653002401478653001501502653002901517653002701546653001601573100001601589700002001605700002101625856011901646 2009 eng d a0963-996900aHypocholesteremic effect of bile salt hydrolase from Lactobacillus buchneri ATCC 40050 aHypocholesteremic effect of bile salt hydrolase from Lactobacill aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbICBF Forum; Biotech Res Soc IndiacMAY a516-5200 v423 a

The effect of oral administration of the immobilized bile salt hydrolase enzyme on serum cholesterol. triglyceride, high density lipoprotein levels and its application in the therapeutic treatment of hypercholesteremia was assessed. Culture conditions were optimized for the production of bile salt hydrolase, which resulted in 2.9-fold enhancement in activity. Bile salt hydrolase (BSH; E.C.3.5.1.24) was isolated from Lactobacillus buchneri ATCC 4005 and immobilized in 0.5% gellan gum gel. The immobilized enzyme was orally delivered in wistar rats, induced with hypercholesteremia by triton X-100. The serum cholesterol and triglycerides were reduced by 50% and 15%, respectively, in the group fed with immobilized enzyme 10 IU/kg dose whereas administration of 20 IU/kg immobilized enzyme resulted in reduction of serum cholesterol by 58% and triglycerides by 45%, respectively. The results indicate that bile salt hydrolase has potential cholesterol lowering property and oral administration of the immobilized enzyme is an alternative pharmacological approach to reduce serum cholesterol levels. (C) 2009 Elsevier Ltd. All rights reserved.

10aBile salt hydrolase10aGellan gum10aHypocholesteremic effect10aLactobacillus buchneri10aWistar Rats1 aSridevi, N.1 aVishwe, Pradnya1 aPrabhune, Asmita uhttps://library.ncl.res.in/content/hypocholesteremic-effect-bile-salt-hydrolase-lactobacillus-buchneri-atcc-4005-001310nas a2200169 4500008004100000022001400041245016200055210006900217260007300286300001200359490000800371520056500379100002000944700001900964700003000983856012701013 2010 eng d a0009-261400aHalide ion controlled shape dependent gold nanoparticle synthesis with tryptophan as reducing agent: enhanced fluorescent properties and white light emission0 aHalide ion controlled shape dependent gold nanoparticle synthesi aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcJAN a271-2750 v4843 a

We report the synthesis of Au nanoparticles in presence of two surfactants cetyltrimethyl ammonium chloride (CTAC) and cetyltrimethyl ammonium bromide (CTAB) by reducing Au(3+) ions with tryptophan. Interestingly, triangular shaped particles were seen to form in presence of CTAB, while spherical nanoparticles resulted with CTAC. The highlight of this result is the white light emission from the Au triangles obtained when CTAB is used. These results are supported by lifetime measurements and fluorescence. (C) 2009 Elsevier B. V. All rights reserved.

1 aKasture, Manasi1 aSastry, Murali1 aPrasad, Bhagavatula L. V. uhttps://library.ncl.res.in/content/halide-ion-controlled-shape-dependent-gold-nanoparticle-synthesis-tryptophan-reducing-002646nas a2200313 4500008004100000022001400041245011600055210006900171260008000240300001600320490000800336520152500344653001101869653001701880653001701897100002801914700001801942700002201960700002601982700002402008700002102032700002802053700002202081700002002103700002702123700003202150700002502182856012502207 2010 eng d a0027-842400aHarnessing structure-activity relationship to engineer a cisplatin nanoparticle for enhanced antitumor efficacy0 aHarnessing structureactivity relationship to engineer a cisplati a2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USAbNATL ACAD SCIENCEScJUL a12435-124400 v1073 a

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

10acancer10achemotherapy10ananomedicine1 aParaskar, Abhimanyu, S.1 aSoni, Shivani1 aChin, Kenneth, T.1 aChaudhuri, Padmaparna1 aMuto, Katherine, W.1 aBerkowitz, Julia1 aHandlogten, Michael, W.1 aAlves, Nathan, J.1 aBilgicer, Basar1 aDinulescu, Daniela, M.1 aMashelkar, Raghunath, Anant1 aSengupta, Shiladitya uhttps://library.ncl.res.in/content/harnessing-structure-activity-relationship-engineer-cisplatin-nanoparticle-enhanced-001149nas a2200217 4500008004100000022001400041245009900055210006900154260007700223300001200300490000700312520034600319653001300665653001900678653002700697653001200724100002200736700003200758700002200790856011900812 2010 eng d a1318-020700aH-beta zeolite: an efficient, reusable catalyst for one-pot synthesis of isatins from anilines0 aHbeta zeolite an efficient reusable catalyst for onepot synthesi aHAJDRIHOVA 19, LJUBLJANA 1000, SLOVENIAbSLOVENSKO KEMIJSKO DRUSTVOcJUN a466-4690 v573 a

We describe a simple and highly efficient procedure for the single-step preparation of isatins from the commercially available anilines using H-beta zeolite as a truly heterogeneous catalyst. H-beta zeolite is readily separated from reaction mixture by simple filtration and reused several times without considerable loss of activity.

10aAnilines10aH-beta zeolite10aheterogeneous catalyst10aisatins1 aRaj, Victor, Paul1 aShaikh, Tanveer, Mahamadali1 aSudalai, Arumugam uhttps://library.ncl.res.in/content/h-beta-zeolite-efficient-reusable-catalyst-one-pot-synthesis-isatins-anilines-003213nas a2200181 4500008004100000022001400041245022200055210006900277260011000346300001400456490000700470520232700477100002702804700002402831700002702855700002502882856012402907 2010 eng d a1466-803300aHelical self-assembly of molecules in pseudopolymorphs of racemic 2,6-di-O-(4-halobenzoyl)-myo-inositol 1,3,5-orthoformates: clues for the construction of molecular assemblies for intermolecular acyl transfer reaction0 aHelical selfassembly of molecules in pseudopolymorphs of racemic aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcAug a4184-41970 v123 a

The crystal structure of racemic 2,6-di-O-benzoyl-myo-inositol 1,3,5-orthoformate (1) which underwent a facile intermolecular benzoyl transfer reaction in the solid state, revealed a helical assembly of molecules along the two-fold screw axis via O-H center dot center dot center dot O hydrogen bond bringing the electrophile (C=O) and the nucleophile (-OH) in close proximity along the helical axis. However, structurally related racemic 2,6-di-O-(p-halobenzoyl)-myo-inositol 1,3,5-orthoformates (bromo (2) and chloro (3)) produced triclinic dimorphs (both P (1) over bar) when crystallized from methanol and ethyl acetate. Molecules in either form did not assemble spirally (like 1), and instead exhibited a one-dimensional isostructurality, bridging O-H center dot center dot center dot O linked identical molecular strings via C-H center dot center dot center dot O interactions across the inversion center. However, the molecules of 2 and 3 assembled in a helical manner similar to 1 with inclusion of solvent molecules in the crystal lattice when crystallized from other common organic solvents. Remarkably, in all the solvates the host molecules formed strikingly similar helices around the crystallographic 2(1)-screw axis through O-H center dot center dot center dot O bond involving the -OH group and carbonyl oxygen of the equatorial C2-O-benzoyl group. Comparison of the crystal structure of dimorphs and the solvatomorphs revealed that the solvent molecules, which interact with the orthoformate-bridge, trigger the helix formation of the host. The difference in the crystal structures of solvatomorphs arises in the interlinking of the neighbouring helices, which creates voids of different sizes to accommodate the solvent molecules. All the solvates crystallized in the monoclinic system distributed over three different space groups P2(1)/n, P2(1)/c and C2/c. In the P2(1)/n system, the adjacent helices are linked via C-X center dot center dot center dot O contacts, in P2(1)/c via C-H center dot center dot center dot X (X Cl, Br) contacts and in C2/c via short X center dot center dot center dot X contacts (X = Cl). The helical organization achieved through solvent mediation and inclusion is of significance in creating molecular packing for intermolecular acyl transfer reactions in crystals.

1 aKrishnaswamy, Shobhana1 aGonnade, Rajesh, G.1 aShashidhar, Mysore, S.1 aBhadbhade, Mohan, M. uhttps://library.ncl.res.in/content/helical-self-assembly-molecules-pseudopolymorphs-racemic-26-di-o-4-halobenzoyl-myo-002325nas a2200241 4500008004100000022001400041245009800055210006900153260009200222300001400314490000700328520144700335653002001782653001701802653001701819653001801836653002201854653001801876653001701894100001601911700002601927856013001953 2010 eng d a1533-488000aHeterofunctional nanomaterials: fabrication, properties and applications in nanobiotechnology0 aHeterofunctional nanomaterials fabrication properties and applic a26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USAbAMER SCIENTIFIC PUBLISHERScJUL a4124-41340 v103 a

Nanotechnology and nanoengineering includes a novel class of materials that are gaining significant recognition to pursuit technological/biological advances in diverse fields including, biology, medicine, electronics, engineering etc. due to their unique size- and shape-dependent intrinsic physicochemical, optoelectronic and biological properties. Characteristics such as high surface to volume ratios and quantum confinement results in materials that are qualitatively different from their bulk counterparts. These properties not only make them suitable for numerous applications in existing and emerging technologies, but also have outstanding role in many fields that provide inspiration for their fabrication. In Today's trend nanotechnology is spreading vigorously where researchers all over the world are focusing towards their synthesis and applications. Therefore, this review is helpful for the researchers in the field of nanobiotechnology/nanomedicine, providing a brief overview of nanotechnology, covering nanomaterial synthesis methods (with emphasis on environmentally benign greener approaches), their properties, and applications; such as drug delivery, bio-labeling, nanotoxicity etc. The influence of synthesis methods and surface coatings/stabilizing agents and their subsequent applications is discussed, and a broad outline on the biomedical applications into which they have been implemented is also presented.

10aBio-Fabrication10aBio-Labeling10aCell imaging10adrug delivery10aGreener Synthesis10aNanomaterials10aNanotoxicity1 aKumar, Anil1 aKhan, Mohammad, Islam uhttps://library.ncl.res.in/content/heterofunctional-nanomaterials-fabrication-properties-and-applications-nanobiotechnology-002272nas a2200229 4500008004100000022001400041245012300055210006900178260007300247300001000320490000800330520141000338653001401748653001701762653001101779653002801790653002501818100002501843700002101868700002901889856012401918 2010 eng d a0926-860X00aHeterogenized copper catalysts for the amination of arylhalide: synthesis, characterization and catalytic applications0 aHeterogenized copper catalysts for the amination of arylhalide s aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcJAN a73-810 v3723 a

This research investigated the synthesis, characterization and catalytic activity of heterogenized copper complexes for the selective amination of aryl halides. Amination reactions using homogeneous copper catalyst systems are not generally selective and it is also difficult to recover the catalyst from the homogeneous system for recycling. To overcome these difficulties, our efforts were directed towards the development of cheaper heterogeneous catalyst systems, which can be easily recovered and recycled. Heterogenized analogs of the homogenous Cu complexes were prepared using two methods: (a) encapsulation of copper complexes in zeolite-Y and (b) tethering of copper complexes on various supports like zeolite-Y, silica, charcoal, or clay. The encapsulated and tethered copper catalysts on zeolite-Y were characterized using EPR, Diffused reflectance UV-vis, XRD, IAS, ICPES, SEM, and TEM. The results confirmed that the copper complexes were truly heterogenized in zeolite-Y support. Encapsulated and tethered copper complexes were tested for amination of aryl iodide. The effects of various reaction parameters were examined using tethered Cu(Phen)(PPh(3))Br-PTA-Y catalyst to determine optimum conditions. A recycle study of encapsulated and tethered Cu catalyst was carried out to test their robustness for possible commercial exploitation. (C) 2009 Elsevier B.V. All rights reserved.

10aAmination10aC-N coupling10aCopper10aheterogeneous catalysis10amesoporous materials1 aPatil, Nandkumar, M.1 aGupte, Sunil, P.1 aChaudhari, Raghunath, V. uhttps://library.ncl.res.in/content/heterogenized-copper-catalysts-amination-arylhalide-synthesis-characterization-and-002066nas a2200277 4500008004100000022001400041245012400055210006900179260007300248300001200321490000800333520109900341653002601440653001801466653001901484653001301503653001801516653001901534653001401553653001001567100002301577700002101600700001701621700002201638856012801660 2010 eng d a1381-116900aHeterogenized Ru(II) phenanthroline complex for chemoselective hydrogenation of diketones under biphasic aqueous medium0 aHeterogenized RuII phenanthroline complex for chemoselective hyd aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcDEC a114-1200 v3333 a

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

10a4-Hydroxypentan-2-one10aacetylacetone10aChemoselective10aDiketone10aHydrogenation10aPhenanthroline10aruthenium10aWater1 aDeshmukh, Amit, A.1 aKinage, Anil, K.1 aKumar, Rajiv1 aMeijboom, Reinout uhttps://library.ncl.res.in/content/heterogenized-ruii-phenanthroline-complex-chemoselective-hydrogenation-diketones-under-001211nas a2200205 4500008004100000022001400041245013700055210006900192260011000261300001400371490000700385520034200392100002100734700002200755700002200777700002500799700003000824700002400854856012700878 2010 eng d a1359-734500aHigh aspect ratio nanoscale multifunctional materials derived from hollow carbon nanofiber by polymer insertion and metal decoration0 aHigh aspect ratio nanoscale multifunctional materials derived fr aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcJUN a5590-55920 v463 a

A novel high aspect ratio material which can simultaneously display multiple functions such as proton and electron conductivity and electrocatalytic activity has been developed by incorporating both platinum nanoparticles and phosphoric acid doped polybenzimidazole along the inner and outer surfaces of a hollow carbon nanofiber.

1 aBalan, Beena, K.1 aKale, Vinayak, S.1 aAher, Pradnya, P.1 aShelke, Manjusha, V.1 aPillai, Vijayamohanan, K.1 aKurungot, Sreekumar uhttps://library.ncl.res.in/content/high-aspect-ratio-nanoscale-multifunctional-materials-derived-hollow-carbon-nanofiber-001822nas a2200265 4500008004100000022001400041245010300055210006900158260012500227300001100352490000700363520081100370653002101181653002001202653001901222653001501241100002801256700003001284700002401314700002501338700002201363700002301385700002001408856012801428 2010 eng d a0003-695100aHigh current density, low threshold field emission from functionalized carbon nanotube bucky paper0 aHigh current density low threshold field emission from functiona aCIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USAbAMER INST PHYSICScAUG a0731020 v973 a

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

10aCarbon nanotubes10acurrent density10afield emission10afullerenes1 aKakade, Bhalchandra, A.1 aPillai, Vijayamohanan, K.1 aLate, Dattatray, J.1 aChavan, Padmakar, G.1 aSheini, Farid, J.1 aMore, Mahendra, A.1 aJoag, Dilip, S. uhttps://library.ncl.res.in/content/high-current-density-low-threshold-field-emission-functionalized-carbon-nanotube-bucky-003220nas a2200181 4500008004100000022001400041245018200055210006900237260007100306300001600377490000800393520240800401100002502809700002402834700003002858700002402888856012602912 2010 eng d a1932-744700aHigh pt utilization electrodes for polymer electrolyte membrane fuel cells by dispersing pt particles formed by a preprecipitation method on carbon ``polished'' with polypyrrole0 aHigh pt utilization electrodes for polymer electrolyte membrane  a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcSEP a14654-146610 v1143 a

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

1 aUnni, SreeKuttan, M.1 aDhavale, Vishal, M.1 aPillai, Vijayamohanan, K.1 aKurungot, Sreekumar uhttps://library.ncl.res.in/content/high-pt-utilization-electrodes-polymer-electrolyte-membrane-fuel-cells-dispersing-pt-001483nas a2200157 4500008004100000022001400041245008800055210006900143260012500212300001100337490000700348520080200355100002101157700002501178856012201203 2010 eng d a0003-695100aHigh room temperature ferromagnetic moment of Ho substituted nanocrystalline BiFeO30 aHigh room temperature ferromagnetic moment of Ho substituted nan aCIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USAbAMER INST PHYSICScOCT a1625040 v973 a

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

1 aThakuria, Pankaj1 aJoy, Pattayil, Alias uhttps://library.ncl.res.in/content/high-room-temperature-ferromagnetic-moment-ho-substituted-nanocrystalline-bifeo3-001192nas a2200241 4500008004100000022001400041245011800055210006900173260008600242300001800328490000700346520026200353653001900615653002800634653002000662653001700682653002000699100002300719700001900742700002800761700002900789856013200818 2010 eng d a0039-791100aHighly selective claisen-schmidt condensation catalyzed by silica chloride under solvent-free reaction conditions0 aHighly selective claisenschmidt condensation catalyzed by silica a325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USAbTAYLOR & FRANCIS INCcAUG aPII 9263088530 v403 a

Silica chloride serves as a useful catalyst in the cross-aldol condensation, leading to the synthesis of a wide variety of bisarylidene cycloalkanones and chalcones. The catalyst showed high selectivity; self-condensation of ketones was not observed.

10aAldol reaction10aarylidene cycloalkanone10aClaisen-Schmidt10acondensation10asilica chloride1 aHazarkhani, Hassan1 aKumar, Pradeep1 aKondiram, Kadam, Sachin1 aGadwal, Ikhlas, M. Shafi uhttps://library.ncl.res.in/content/highly-selective-claisen-schmidt-condensation-catalyzed-silica-chloride-under-solvent-free-001979nas a2200265 4500008004100000022001400041245007500055210006900130260007300199300001000272490000700282520111500289653001401404653001901418653001001437653003001447653000801477653000801485100001901493700001801512700002801530700002501558700002101583856010901604 2010 eng d a0039-914000aHighly sensitive and fast responding CO sensor based on Co3O4 nanorods0 aHighly sensitive and fast responding CO sensor based on Co3O4 na aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcAPR a37-430 v813 a

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

10aCO sensor10aCo3O4 nanorods10aHRTEM10aSemiconductor gas sensors10aXPS10aXRD1 aPatil, Dewyani1 aPatil, Pradip1 aSubramanian, Vijayanand1 aJoy, Pattayil, Alias1 aPotdar, Hari, S. uhttps://library.ncl.res.in/content/highly-sensitive-and-fast-responding-co-sensor-based-co3o4-nanorods-001390nas a2200157 4500008004100000245009900041210006900140260000800209300001600217490000700233520079900240100002001039700002101059700002201080856013001102 2010 eng d00aHighly stable adamantyl-substituted pincer-ligated iridium catalyst for alkane dehydrogenation0 aHighly stable adamantylsubstituted pincerligated iridium catalys cMAY a2702–27090 v293 a

The adamantyl-substituted pincer-ligand precursor AdPCP-H [(AdPCP = κ3-C6H3-2,6-(CH2PAd2)2); Ad = 1-adamantyl] has been synthesized by the reaction of 1,3-dibromoxylene with di-1-adamantylphosphine in the presence of triethylamine. Treatment of AdPCP-H with [Ir(COD)Cl]2 (COD = 1,5-cyclooctadiene) affords the pincer-ligated complex (AdPCP)IrHCl, which was crystallographically characterized. Dehydrohalogenation of (AdPCP)IrHCl either with LiBEt3H or with KOtBu, under hydrogen atmosphere, yields the hydrides (AdPCP)IrH2 and (AdPCP)IrH4. (AdPCP)IrH2 catalyzes dehydrogenation of alkanes with a level of activity comparable to that of the previously reported (tBuPCP)IrH2, while it is thermally much more robust than the tBuPCP analogue, as well as iPrPCP or tBuPOCOP pincer complexes.

1 aPunji, Benudhar1 aEmge, Thomas, J.1 aGoldman, Alan, S. uhttps://library.ncl.res.in/content/highly-stable-adamantyl-substituted-pincer-ligated-iridium-catalyst-alkane-dehydrogenation01537nas a2200193 4500008004100000022001400041245014600055210006900201260007100270300001600341490000700357520072900364100001701093700002901110700002901139700002501168700001801193856013201211 2010 eng d a0888-588500aHydroformylation of 1-octene using [Bmim][PF6]-decane biphasic media and rhodium complex catalyst: thermodynamic properties and kinetic study0 aHydroformylation of 1octene using BmimPF6decane biphasic media a a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcNOV a10698-107060 v493 a

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

1 aSharma, Amit1 aLebigue, Carine, Julcour1 aDeshpande, Raj, Madhukar1 aKelkar, Ashutosh, A.1 aDelmas, Henri uhttps://library.ncl.res.in/content/hydroformylation-1-octene-using-bmimpf6-decane-biphasic-media-and-rhodium-complex-catalyst-002047nas a2200253 4500008004100000022001400041245006800055210006700123260010600190300001600296490000700312520114600319653002901465653002001494653002401514653001201538653002301550100002601573700002201599700002301621700002601644700002401670856009901694 2010 eng d a0360-319900aHydrogen evolution by a low cost photocatalyst: bauxite residue0 aHydrogen evolution by a low cost photocatalyst bauxite residue aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcOCT a10859-108660 v353 a

Bauxite residue or red mud which is an aluminium industry waste has been used as a novel low cost photocatalyst active in visible light for the generation of hydrogen from water. The driving force behind the use of bauxite residue as a photocatalyst is not only the fact that it is widely available but also bauxite residue is a fine grained mixture of oxides and hydroxides (Fe(2)O(3), TiO(2), SiO(2), and Al(2)O(3), Al(OH)3). The photocatalyst was characterized with respect to BET-SA, UV-DRS, XRD, SEM and EDX. Hydrogen yield of 4600 mu mol/h/g of TiO(2) was achieved as compared to hydrogen evolution rate of 164 mu mol/h/g of TiO(2) for commercially available titania Degussa P-25. However, the hydrogen evolution was 20.85 mu mol/h/g of photocatalyst. The results suggest that bauxite residue appears to be a novel low cost photocatalyst. The various operating conditions of photocatalytic hydrogen generation were studied which include amount of catalyst, illumination intensity, illumination time, effect of various sacrificial donors etc. (C) 2009 Professor T. Nejat Veziroglu. Published by Elsevier Ltd. All rights reserved.

10aAluminium industry waste10aBauxite residue10aHydrogen generation10aRed mud10aSacrificial donors1 aMangrulkar, Priti, A.1 aJoshi, Meenal, V.1 aKamble, Sanjay, P.1 aLabhsetwar, Nitin, K.1 aRayalu, Sadhana, S. uhttps://library.ncl.res.in/content/hydrogen-evolution-low-cost-photocatalyst-bauxite-residue-002613nas a2200229 4500008004100000022001400041245011300055210006900168260006800237300001400305490000700319520173200326653001602058653004902074653001302123653002702136100002202163700002802185700002102213700002502234856012402259 2010 eng d a0887-626600aHydrophobically modified poly(vinyl alcohol) using alkoxy-substituted methyl gallate: synthesis and rheology0 aHydrophobically modified polyvinyl alcohol using alkoxysubstitut a111 RIVER ST, HOBOKEN, NJ 07030 USAbJOHN WILEY & SONS INCcMAY a1054-10630 v483 a

Hydrophobically modified poly(vinyl alcohol) (HMPVA) polymers were synthesized by potassium t-butoxide-catalyzed reaction of PVA with methyl 3,4,5-tris(n-octyloxy) benzoate (MGC(8))/3,4,5-tris(n-dodecyloxy) benzoate (MGC(12)) and 1,3-propane sultone. The concentration of 1,3-propane sultone was kept constant at 10 mol %. and that of MGC(8) (2, 3, and 4 mol %)/MGC(12) (2 and 3 mol %) was varied to obtain HMPVAs with different hydrophobic contents. The incorporation of MGC(8)/MGC(12) and 1,3-propane sultone onto HMPVA was confirmed by NMR spectroscopy. Rheological properties of aqueous solutions also confirmed the presence of hydrophobic and charged functional groups on HMPVAs. In the semidilute regime, the specific viscosity of HMPVAs followed concentration scaling that is typical of polyelectrolytes. At higher concentrations, the HMPVA solutions with 3 and 4 mol % of MGC(8) exhibited large increase in specific viscosity. Oscillatory experiments on these solutions exhibited gel-like behavior at polymer concentrations of 40-50 g/L. Confocal microscopy images of HMPVA with 4 mol % of MGC(8) clearly indicated the existence of microgels. The tendency of formation of microgels further increased with increasing chain length of the hydrophobe, that is, with MGC(12). These samples exhibited rheological behavior that is typical of soft solids and was therefore probed by the strain-rate frequency superposition technique reported recently in the literature. HMPVAs with improved rheological properties show potential applications as thickeners in cosmetic creams, lotions and as drug carriers in pharmaceutical formulations. (C) 2010 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 48: 1054-1063, 2010

10agallic acid10ahydrophobically modified poly(vinyl alcohol)10aRheology10awater-soluble polymers1 aShedge, Aarti, S.1 aWadgaonkar, Prakash, P.1 aLele, Ashish, K.1 aBadiger, Manohar, V. uhttps://library.ncl.res.in/content/hydrophobically-modified-polyvinyl-alcohol-using-alkoxy-substituted-methyl-gallate-001084nas a2200181 4500008004100000022001400041245010100055210006900156260008400225300001200309490000700321520034500328100002100673700002800694700002500722700002900747856012600776 2010 eng d a0366-702200aHydroxyalkylation of p-Cresol to 2,2 `-methylenebis(4-methylphenol) using Sn/Si-MCM-41 catalysts0 aHydroxyalkylation of pCresol to 22 methylenebis4methylphenol usi a1-5 KANDA-SURUGADAI CHIYODA-KU, TOKYO, 101-8307, JAPANbCHEMICAL SOC JAPANcFEB a126-1270 v393 a

Sn/Si-MCM-41 has exhibited an excellent catalytic activity [70% product yield with 88% selectivity to 2,2'-methylenebis(4-methylphenol)] for the selective hydroxyalkylation of p-cresol. At equal level of Sn loading, Sn/Si-MCM-41 prepared by direct hydrothermal synthesis showed higher activity than Sn-impregnated Si-MCM-41 catalyst.

1 aGarade, Ajit, C.1 aNiphadkar, Prashant, S.1 aJoshi, Praphulla, N.1 aRode, Chandrashekhar, V. uhttps://library.ncl.res.in/content/hydroxyalkylation-p-cresol-22-methylenebis4-methylphenol-using-snsi-mcm-41-catalysts-002207nas a2200205 4500008004100000022001400041245011300055210006900168260006800237300001400305490000700319520140200326653000801728653003101736653002801767100003001795700002301825700002201848856013101870 2010 eng d a0001-154100aHysteresis in cloud heights during solid suspension in stirred tank reactor: experiments and CFD simulations0 aHysteresis in cloud heights during solid suspension in stirred t a111 RIVER ST, HOBOKEN, NJ 07030 USAbJOHN WILEY & SONS INCcNOV a2795-28040 v563 a

Solid suspension in stirred tank reactor is widely used in process industries for catalytic reactions, dissolution of solids, crystallization, and so on. Suspension quality is a key issue in design and operation of stirred reactor and its determination is not straight forward. Cloud height measurements of solid suspension provide a relatively simple way to quantify quality of suspension. In this work, experiments were carried out to quantify variation of cloud heights with impeller speed and particle characteristics. These measurements were carried out using visual observations, image analysis, and ultrasound velocity profiler techniques. The obtained data demonstrated the existence of hysteresis in cloud heights with respect to impeller speed. Apart from possible applications in reducing power required for achieving desired solid suspension quality, the existence of hysteresis also provides a new way to evaluate computational fluid dynamics (CFD) simulations of solid liquid flows in stirred vessels. An attempt was made to capture observed hysteresis in cloud heights in CFD simulations. The simulated results were compared with the experimental data. The presented models and results (experimental and computational) will he useful for simulating complex solid liquid flows in stirred reactors. (C) 2010 American Institute of Chemical Engineers AIChE J, 56: 2795-2804, 2010

10aCFD10ahysteresis in cloud height10asolid velocity profiles1 aSardeshpande, Madhavi, V.1 aJuvekar, Vinay, A.1 aRanade, Vivek, V. uhttps://library.ncl.res.in/content/hysteresis-cloud-heights-during-solid-suspension-stirred-tank-reactor-experiments-and-cfd-001627nas a2200193 4500008004100000022001400041245012100055210006900176260007100245300001400316490000700330520084000337100002801177700002401205700002501229700002501254700002401279856013001303 2011 eng d a1528-748300aHalogen bonding in 2,5-dichloro-1,4-benzoquinone: insights from experimental and theoretical charge density analysis0 aHalogen bonding in 25dichloro14benzoquinone insights from experi a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcMAY a1855-18620 v113 a

Experimental charge density distribution in 2, 5-dichloro-1, 4-benzoquinone has been carried out using high resolution X-ray diffraction data at 90 K to quantitatively evaluate the nature of C-Cl center dot center dot center dot O=C halogen bond in molecular crystals. Additionally, the halogen bond is studied from geometrical point of view and the same has been visualized using Hirshfeld surface analysis. The obtained results from experimental charge density analysis are compared with periodic quantum calculations using B3LYP 6-31G(d,p) level of theory. The topological values at bond critical point, three-dimensional static deformation density features and electrostatic potential isosurfaces unequivocally establish the attractive nature of C-Cl center dot center dot center dot O=C halogen bond in crystalline lattice.

1 aHathwar, Venkatesha, R.1 aGonnade, Rajesh, G.1 aMunshi, Parthapratim1 aBhadbhade, Mohan, M.1 aRow, Tayur, N. Guru uhttps://library.ncl.res.in/content/halogen-bonding-25-dichloro-14-benzoquinone-insights-experimental-and-theoretical-charge-002059nas a2200157 4500008004100000022001400041245009000055210006900145260007100214300001400285490000800299520143900307100002501746700001501771856011501786 2011 eng d a1520-610600aHeadgroup mediated water insertion into the DPPC billayer: a molecular dynamics study0 aHeadgroup mediated water insertion into the DPPC billayer a mole a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcMAR a3155-31630 v1153 a

Molecular dynamics simulation was performed on the 1,2-dipalmitoyl-sn-phosphocholine (DPPC) bilayer-water system using the GROMOS96 53a6 united atom force field. The transferability of force field was tested by reproducing the area per lipid within 3% accuracy from the experimental value. The simulation shows that water can penetrate much deeper inside the bilayer almost up to the starting point of the aliphatic chain. There is significant evidence from experiments that water goes deep in the DPPC bilayer, but it has not been reported from theoretical work. The mechanism of insertion of water deep inside the lipid bilayer is still not clear. In this report, for the first time the mechanism of water insertion deep into the bilayer has been proposed. Water transport occurs by the headgroup and its first solvation shell. The trimethyl ammonium (NMe3) group (headgroup of DPPC) has two stable conformations at the bilayer-water interface, one outside the bilayer and another inside it. The NMe3 group has a large clustering of water around it and takes the water molecules inside the bilayer with it during its entry into the bilayer. The water molecules penetrate into the bilayer with the help of the NMe3 group present at the headgroup of DPPC and eventually form hydrogen bonds with carbonyl oxygen present deep inside the bilayer. Structural characteristics at the bilayer-water interface region are also reported.

1 aPandey, Prithvi, Raj1 aRoy, Sudip uhttps://library.ncl.res.in/content/headgroup-mediated-water-insertion-dppc-billayer-molecular-dynamics-study-002354nas a2200217 4500008004100000022001400041245009400055210006900149260007200218300001200290490000600302520152700308653000901835653001701844653003001861653003001891653004101921100002901962700002101991856012402012 2011 eng d a2005-862400aHeat and mass transfer analysis in air gap membrane distillation process for desalination0 aHeat and mass transfer analysis in air gap membrane distillation aPO BOX 33, YUSEONG, DAEJEON 305-600, SOUTH KOREAbTECHNO-PRESScJUL a159-1730 v23 a

The air gap membrane distillation (AGMD) process was applied for water desalination. The main objective of the present work was to study the heat and mass transfer mechanism of the process. The experiments were performed on a flat sheet module using aqueous NaCl solutions as a feed. The membrane employed was hydrophobic PTFE of pore size 0.22 mu m. A mathematical model is proposed to evaluate the membrane mass transfer coefficient, thermal boundary layers' heat transfer coefficients, membrane/liquid interface temperatures and the temperature polarization coefficients. The mass transfer model was validated by the experimentally and fitted well with the combined Knudsen and molecular diffusion mechanism. The mass transfer coefficient increased with an increase in feed bulk temperature. The experimental parameters such as, feed temperature, 313 to 333 K, feed velocity, 0.8 to 1.8 m/s (turbulent flow region) were analyzed. The permeation fluxes increased with feed temperature and velocity. The effect of feed bulk temperature on the boundary layers' heat transfer coefficients was shown and fairly discussed. The temperature polarization coefficient increased with feed velocity and decreased with temperature. The values obtained were 0.56 to 0.82, indicating the effective heat transfer of the system. The fouling was observed during the 90 h experimental run in the application of natural ground water and seawater. The time dependent fouling resistance can be added in the total transport resistance.

10aAGMD10aDesalination10aheat transfer coefficient10amass transfer coefficient10atemperature polarization coefficient1 aPangarkar, Bhausaheb, L.1 aSane, Mukund, G. uhttps://library.ncl.res.in/content/heat-and-mass-transfer-analysis-air-gap-membrane-distillation-process-desalination-002300nas a2200169 4500008004100000022001400041245013300055210006900188260007100257300001600328490000800344520158800352100002701940700001701967700002001984856012602004 2011 eng d a0002-786300aHelical water chain mediated proton conductivity in homochiral metal-organic frameworks with unprecedented zeolitic unh-topology0 aHelical water chain mediated proton conductivity in homochiral m a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcNOV a17950-179580 v1333 a

Four new homochiral metal-organic framework (MOF) isomers, [Zn(l-L-Cl)(Cl)](H2O)(2) (1), [Zn(l-L-Br)(Br)]-(H2O)(2) (2), [Zn(d-L-Cl)(Cl)(H2O)(2) (3), and [Zn(d-L-Br)-(Br)] (H2O)(2) (4) [L = 3-methyl-2-(pyridin-4-ylmethylamino)-butanoic acid], have been synthesized by using a derivative of L-/D-valine and Zn(CH3COO)(2)center dot 2H(2)O. A three-periodic lattice with a parallel ID helical channel was formed along the crystallographic c-axis. Molecular rearrangement results in an unprecedented zeolitic unh-toparigy in 1-4. In each case, two lattice water molecules (one H-bonded. to halogen atoms) form a secondary helical continuous water chain inside the molecular helix. MOFs 1 and 2 shows different water adsorption properties and hence different water affinity. The arrangement of water molecules inside the channel Was monitored by variable temperature single crystal X-ray diffraction, which indicated that MOF 1 has a higher water holding capacity than MOF 2. In MOF 1, water escapes. at 80 degrees C, while in T the same happens at a much lower temperature (similar to 40 degrees C). All the MOFs reported here shows reversible crystallization by readily reabsorbing moisture. In MOFs 1 and 2, the frameworks are stable after solvent removal, which is confirmed by a single-crystal to single crystal transformation. MOFs 1 and 3 show high proton conductivity of 4.45 x 10(-5) and 4.42 x 10(-5) S cm(-1), respectively, while 2 and 4 shows zero proton conductivity. The above result is attributed to the fact that MOF 1 has a higher water holding capacity than MOF 2.

1 aSahoo, Subash, Chandra1 aKundu, Tanay1 aBanerjee, Rahul uhttps://library.ncl.res.in/content/helical-water-chain-mediated-proton-conductivity-homochiral-metal-organic-frameworks-002036nas a2200217 4500008004100000022001400041245009500055210006900150260007300219300001200292490000700304520125700311653001601568653001601584653001801600653001301618653001901631100002201650700002401672856012201696 2011 eng d a0169-131700aHeteropolyacid supported on montmorillonite catalyst for dehydration of dilute bio-ethanol0 aHeteropolyacid supported on montmorillonite catalyst for dehydra aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcAUG a263-2710 v533 a

Vapour phase dehydration of dilute bio-ethanol (EtOH) to ethylene (E) and diethyl ether (DEE) is industrially relevant. Ethylene is an important raw material for many petrochemical products and Diethyl ether (DEE) can be used as an alternative fuel. The efficacy of montmorillonite (K-10) and dodecatungestophosphoric acid (DTPA) supported on montmorillonite (DTPA/K-10), has been evaluated in the current work in the dehydration of dilute bio-ethanol (80%m/m). The dehydration of ethanol and cracking of diethyl ether were studied independently. 30% m/m DTPA/K-10 was found to be more active with 74% ethanol conversion and 92% ethylene selectivity at 250 degrees C in comparison with other acid catalysts used. The merit of the process lies in its use of dilute bio-ethanol, a new avenue for ethylene production from a non-petroleum feedstock. Kinetic interpretation has been made by studying the important process parameters by using 30%m/m DTPA/montmorillonite as the catalyst. The mechanism of the dehydration of ethanol reaction suggests that two types of sites are responsible. The dehydration of ethanol and cracking of diethyl ether are second order reactions with weak adsorption of species. (C) 2011 Elsevier B.V. All rights reserved.

10aBio-ethanol10adehydration10aDiethyl ether10aEthylene10aHeteropolyacid1 aBokade, Vijay, V.1 aYadav, Ganapati, D. uhttps://library.ncl.res.in/content/heteropolyacid-supported-montmorillonite-catalyst-dehydration-dilute-bio-ethanol-002017nas a2200229 4500008004100000022001400041245013900055210006900194260011000263300001400373490000600387520110100393100002301494700002001517700002701537700001601564700001701580700002201597700002001619700001801639856013001657 2011 eng d a2040-250300aHierarchical mesoporous bio-polymer/silica composites co-templated by trimethyl chitosan and a surfactant for controlled drug delivery0 aHierarchical mesoporous biopolymersilica composites cotemplated  aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcDEC a1162-11660 v23 a

In this communication, we report the facile synthesis of hierarchical mesoporous bio-polymer/silica composite materials with bimodal mesopores using a dual-template of the cationic N,N,N-trimethyl chitosan (TMCs) and the anionic sodium dodecyl sulfate (SDS) via one-step synthetic strategy. Tetraethoxysilane (TEOS) was used as a silica source. The nitrogen adsorption/desorption measurements and transmission electron microscopy analysis showed the hierarchical structure of the mesoporous bio-polymer/silica composites with bimodal mesopores having an average pore size of 5-7 nm with the visible voids between the silica nanoparticles, which allow the mesoporous bio-polymer/silica composites to encapsulate a large number of guest drug molecules, Ibuprofen (IBU) or 5-fluorouracil (5-FU), due to their high surface area and pore volume. In addition, the mesoporous chitosan-silica composites also had a long term biocompatibility for the target release of the drug molecules to the CEM cells, MCF cells, etc. as well as a pH sensitive controlled release behavior of the drug molecules.

1 aRana, Vijay, Kumar1 aPark, Sung, Soo1 aParambadath, Surendran1 aKim, Mi, Ju1 aKim, Sun-Hee1 aMishra, Satyendra1 aSingh, Raj, Pal1 aHa, Chang-Sik uhttps://library.ncl.res.in/content/hierarchical-mesoporous-bio-polymersilica-composites-co-templated-trimethyl-chitosan-and-002628nas a2200229 4500008004100000022001400041245016400055210006900219260008000288300001400368490000700382520169500389653002202084653001202106653003402118653002902152653002402181100002402205700001602229700002602245856012702271 2011 eng d a1367-543500aHigh level phytase production by aspergillus niger NCIM 563 in solid state culture: response surface optimization, up-scaling, and its partial characterization0 aHigh level phytase production by aspergillus niger NCIM 563 in s aTIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANYbSPRINGER HEIDELBERGcSEP a1407-14170 v383 a

Phytase production by Aspergillus niger NCIM 563 was optimized by using wheat bran in solid state fermentation (SSF). An integrated statistical optimization approach involving the combination of Placket-Burman design (PBD) and Box-Behnken design (BBD) was employed. PBD was used to evaluate the effect of 11 variables related to phytase production, and five statistically significant variables, namely, glucose, dextrin, NaNO(3), distilled water, and MgSO(4)center dot 7H(2)O, were selected for further optimization studies. The levels of five variables for maximum phytase production were determined by a BBD. Phytase production improved from 50 IU/g dry moldy bran (DMB) to 154 IU/g DMB indicating 3.08-fold increase after optimization. A simultaneous reduction in fermentation time from 7 to 4 days shows a high productivity of 38,500 IU/kg/day. Scaling up the process in trays gave reproducible phytase production overcoming industrial constraints of practicability and economics. The culture extract also had 133.2, 41.58, and 310.34 IU/g DMB of xylanase, cellulase, and amylase activities, respectively. The partially purified phytase was optimally active at 55A degrees C and pH 6.0. The enzyme retained ca. 75% activity over a wide pH range 2.0-9.5. It also released more inorganic phosphorus from soybean meal in a broad pH range from 2.5 to 6.5 under emulated gastric conditions. Molecular weight of phytase on Sephacryl S-200 was approximately 87 kDa. The K (m) and V (max) observed were 0.156 mM and 220 mu m/min/mg. The SSF phytase from A. niger NCIM 563 offers an economical production capability and its wide pH stability shows its suitability for use in poultry feed.

10aAspergillus niger10aPhytase10aResponse surface optimization10aSolid state fermentation10aStatistical methods1 aBhavsar, Kavita, P.1 aKumar, Ravi1 aKhire, Jayant, Malhar uhttps://library.ncl.res.in/content/high-level-phytase-production-aspergillus-niger-ncim-563-solid-state-culture-response-001641nas a2200157 4500008004100000022001400041245008400055210006900139260011000208300001400318490000600332520098200338100001701320700003101337856011501368 2011 eng d a1759-966000aHigh throughput quantitative analysis of melamine and triazines by MALDI-TOF MS0 aHigh throughput quantitative analysis of melamine and triazines  aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcOCT a2360-23660 v33 a

Quantitative and high throughput MALDI MS analysis of symmetrical triazines (s-triazines), and milk contaminated with melamine has been demonstrated. s-Triazines from a multi component aqueous test mixture, and melamine, a known adulterant in milk, were quantified at low parts-per-million (ppm) level using 2,5-dihydroxybenzoic acid (2,5-DHB) as a matrix. Mass spectral peak intensity ratios of the analyte and a suitable internal standard were used for the quantitation. Limit of detection at 20 `parts-per- billion' (nano molar concentration) has been achieved for the s-triazines from the aqueous mixture. Quantitation from MALDI MS peak intensities was validated using LC-PDA and LC-ESI-MS analysis using both spectral peak intensities and areas under the chromatographic curves. Excellent linearity in low ppm concentrations along with good precision and accuracy, all of which were comparable to LC-ESI-MS data, were obtained with the advantage of rapid analysis.

1 aSingh, Ajeet1 aPanchagnula, Venkateswarlu uhttps://library.ncl.res.in/content/high-throughput-quantitative-analysis-melamine-and-triazines-maldi-tof-ms-002532nas a2200157 4500008004100000022001400041245010500055210006900160260011000229300001600339490000700355520184200362100002102204700002402225856012502249 2011 eng d a0959-942800aHighly exposed and activity modulated sandwich type Pt thin layer catalyst with enhanced utilization0 aHighly exposed and activity modulated sandwich type Pt thin laye aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcOCT a19039-190480 v213 a

A Pt thin layer catalyst supported on an in situ prepared `RuO(2)-carbon-RuO(2)' sandwich type hybrid support is presented. This is achieved by the extensive functionalization of a hollow carbon nanofiber support to introduce oxygen containing functional groups (FCNF) with the specific aim to accomplish the exclusive adsorption of Ru ions along its inner cavity and outer surfaces. Preferential adsorption of Ru ions from a mixture of Pt and Ru with sufficient time for adsorption and reorganization of ions on the carbon nanofiber surface leads to the in situ renovation of FCNFs to form a hybrid `RuO(2)-carbon-RuO(2)' sandwich type support followed by Pt nanoparticle decoration. While the selective exposure of Pt on the hybrid support surface is confirmed from the HRTEM analysis, the electronic changes effected in the CNF support are evident from the XPS and XRD analysis. Finally, the potential benefit of such a design is also demonstrated using electrochemical studies, where the three-fold increase in the electrochemically active surface area from cyclic voltammetric analysis, a four-fold improvement in the limiting current density coupled with a 80 mV gain in onset potential from rotating disc electrode studies for the oxygen reduction reaction, and a drastic reduction in the CO poisoning for methanol oxidation reaction underlines the superb performance of this material. Such an exceptionally high performance can be attributed to the strong electronic perturbations occurring in the Pt and the FCNF support due to the presence of a continuous RuO(2) layer in between. Such a high aspect ratio core-shell type design with an unusual enhancement in the Pt utilization establishes the roles of both the hybrid support and active catalyst to address the future challenges in the area of utilization improvement.

1 aBalan, Beena, K.1 aKurungot, Sreekumar uhttps://library.ncl.res.in/content/highly-exposed-and-activity-modulated-sandwich-type-pt-thin-layer-catalyst-enhanced-002396nas a2200253 4500008004100000022001400041245007600055210006900131260006900200300001200269490000800281520158200289653002501871653001001896653001501906653003001921653000801951653000801959653000801967100001901975700002001994700001802014856011002032 2011 eng d a0925-400500aHighly sensitive and selective LPG sensor based on alpha-Fe2O3 nanorods0 aHighly sensitive and selective LPG sensor based on alphaFe2O3 na aPO BOX 564, 1001 LAUSANNE, SWITZERLANDbELSEVIER SCIENCE SAcMAR a299-3060 v1523 a

The alpha-Fe2O3 nanorods were successfully synthesized without any templates by calcining the alpha-FeOOH precursor in air at 300 degrees C for 2 h and their LPG sensing characteristics were investigated. The alpha-FeOOH precursor was prepared through a simple and low cost wet chemical route at low temperature (40 degrees C) using FeSO4 center dot 7H(2)O and CH3COONa as starting materials. The formation of alpha-FeOOH precursor and its topotactic transformation to alpha-Fe2O3 upon calcination was confirmed by X-ray diffraction measurement (XRD). X-ray photoelectron spectroscopy (XPS), field emission scanning electron microscopy (FESEM) and transmission electron microscopy (TEM) analysis. The alpha-Fe2O3 nanorods exhibited outstanding gas sensing characteristics such as, higher gas response (similar to 1746-50 ppm LPG at 300 degrees C), extremely rapid response (similar to 3-4 s), relatively slow recovery (similar to 8-9 min), excellent repeatability, good selectivity and lower operating temperature (similar to 300 degrees C). Furthermore, the alpha-Fe2O3 nanorods are able to detect up to 5 ppm for LPG with reasonable response (similar to 15) at the operating temperature of 300 degrees C and they can be reliably used to monitor the concentration of LPG over the range (5-60 ppm). The experimental results clearly demonstrate the potential of using the alpha-Fe2O3 nanorods as sensing material in the fabrication of LPG sensors. Plausible LP G sensing mechanism of the alpha-Fe2O3 nanorods is also discussed. (C) 2010 Elsevier B.V. All rights reserved.

10aalpha-Fe2O3 nanorods10aFESEM10aLPG sensor10aSemiconductor gas sensors10aTEM10aXPS10aXRD1 aPatil, Dewyani1 aPatil, Virendra1 aPatil, Pradip uhttps://library.ncl.res.in/content/highly-sensitive-and-selective-lpg-sensor-based-alpha-fe2o3-nanorods-001280nas a2200193 4500008004100000022001400041245011800055210006900173260011000242300001400352490000700366520048800373100002400861700002500885700002100910700002100931700002000952856011400972 2011 eng d a1466-803300aHydrogen bond directed honeycomb-like porous network structure of tris (bipyridyl-glycoluril)cobalt(III) chloride0 aHydrogen bond directed honeycomblike porous network structure of aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcJUL a5289-52910 v133 a

The [Co(bpg)3]Cl-3 complex (1), where bpg = 4b, 5, 7, 7a-tetrahydro4b,7a-epiminomethan-oimino-6H-imidazo [4,5-f][1,10]-phenanthroline-6,13-dione has been synthesized and characterized by various spectroscopic techniques and single crystal X-ray diffraction. The combination of bipyridyl-glycoluril (bpg) ligands and cobalt ion self-organise to form a honeycomb-like porous network structure resulting in the formation of zeolite like channels which adsorb gases, is described.

1 aKawade, Vitthal, A.1 aKumbhar, Avinash, S.1 aErxleben, Andrea1 aPachfule, Pradip1 aBanerjee, Rahul uhttps://library.ncl.res.in/content/hydrogen-bond-directed-honeycomb-porous-network-structure-tris-bipyridyl-001830nas a2200229 4500008004100000022001400041245008300055210006900138260007300207300001200280490000800292520099600300653003301296653001801329653001601347653004201363653002401405100002201429700001701451700001801468856011401486 2011 eng d a0926-860X00aHydrolysis of vegetable oils and fats to fatty acids over solid acid catalysts0 aHydrolysis of vegetable oils and fats to fatty acids over solid  aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcJAN a427-4350 v3913 a

Solid Fe-Zn double-metal cyanide (DMC) complexes exhibit high catalytic activity for hydrolysis of edible and non-edible vegetable oils and animal fat. In a batch reaction, complete conversion of vegetable oil triglycerides to fatty acids with selectivity greater than 73 wt% was obtained at temperatures as low as 463 K, autogenous pressure and with 5 wt% of catalyst. Catalytic activity of DMC was superior to Amberlyst (TM) 70, SAPO-11, H-beta, HY, MoO(x)/Al(2)O(3) and sulfated zirconia. Rates of hydrolysis were greatly enhanced when solvents (tetrahydrofuran or N,N-dimethylformamide), phase transfer agents (tetrapropyl ammonium bromide) and products (a mixture of mono-/diglycerides and fatty acids) or fatty acid was added to the feed. Surface hydrophobicity which enables high wettability and activation of glycerides on active, acidic sites of reusable DMC is attributed to be the major cause for its superior catalytic activity. (C) 2010 Elsevier B.V. All rights reserved.

10aDouble-metal cyanide complex10aFat splitting10aFatty acids10aHydrolysis of vegetable oils and fats10asolid acid catalyst1 aSatyarthi, J., K.1 aSrinivas, D.1 aRatnasamy, P. uhttps://library.ncl.res.in/content/hydrolysis-vegetable-oils-and-fats-fatty-acids-over-solid-acid-catalysts-002402nas a2200205 4500008004100000022001400041245011800055210006900173260010200242300001400344490000600358520153300364653003201897653003201929653003101961100001901992700003002011700002602041856012902067 2011 eng d a1930-212600aHyper-production of beta-glucosidase and beta-xylosidase by aspergillus niger NCIM 1207 In Xylan-Containing Media0 aHyperproduction of betaglucosidase and betaxylosidase by aspergi aCAMPUS BOX 8005, RALEIGH, NC 27695-8005 USAbNORTH CAROLINA STATE UNIV DEPT WOOD & PAPER SCIcJAN a2066-20760 v63 a

Aspergillus niger NCIM 1207 produced significantly high levels of beta-glucosidase and beta-xylosidase activities in submerged fermentation. Cellulose induced only beta-glucosidase, while xylan induced both beta-glucosidase and beta-xylosidase activities. Both the enzymes of this strain were found to undergo catabolite repression in the presence of high concentrations of glucose and glycerol. The sudden drop in pH of the fermentation medium below 3.5 caused the inactivation of enzymes when the fungus was grown in glycerol-containing media at lower temperatures. The growth of the organism at 36 degrees C led to an increase in pH of the fermentation above 6.0 that affected beta-xylosidase activity significantly. Highest levels of beta-glucosidase ((19 IU mL(-1) or 633 IU g(-1) of substrate) and beta-xylosidase (18.7 IU/mL(-1) or 620 IU g(-1) of substrate) activities were detected when A. niger was grown at 30 degrees C for first five days followed by further incubation at 36 degrees C. Such a process of growing the organism at lower temperatures (growth phase) followed by producing the enzymes at higher temperatures (production phase) in case of fungal systems has not been reported so far. The zymogram staining of the beta-glucosidase demonstrated that A. niger produced only single species of beta-glucosidase. We feel that A. niger NCIM 1207 is a potential candidate to produce both beta-glucosidase and beta-xylosidase in high amounts that can be used to supplement commercial cellulase preparations.

10aAspergillus niger NCIM 120710abeta-glucosidase production10abeta-xylosidase production1 aKhisti, Ujwala1 aBastawade, Kulbhushan, B.1 aGokhale, Digambar, V. uhttps://library.ncl.res.in/content/hyper-production-beta-glucosidase-and-beta-xylosidase-aspergillus-niger-ncim-1207-xylan-001336nas a2200229 4500008004100000022001400041245009600055210006900151260011000220300001400330490000700344520043900351100001700790700002200807700002300829700001900852700001600871700002600887700003500913700002800948856013000976 2012 eng d a1359-734500aHelical folding in heterogeneous foldamers without inter-residual backbone hydrogen-bonding0 aHelical folding in heterogeneous foldamers without interresidual aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcJUL a8922-89240 v483 a

This communication describes a set of hybrid foldamers that do not feature inter-residual, but intra-residual backbone hydrogen-bonding, yet adopt a preferentially folded conformation displaying right-handed helical architecture. Conformational ordering is apparently due to the combined conformational restrictions imposed by the conformationally restricted individual amino acid residues with which the oligomers are made of.

1 aPriya, Gowri1 aKotmale, Amol, S.1 aGawade, Rupesh, L.1 aMishra, Deepti1 aPal, Sourav1 aPuranik, Vedavati, G.1 aRajamohanan, Pattuparambil, R.1 aSanjayan, Gangadhar, J. uhttps://library.ncl.res.in/content/helical-folding-heterogeneous-foldamers-without-inter-residual-backbone-hydrogen-bonding-001803nas a2200277 4500008004100000022001400041245013100055210006900186260009500255300001200350490000800362520076400370653002601134653002301160653001301183653004301196100002301239700001701262700002701279700001901306700002001325700002201345700002001367700001801387856012001405 2012 eng d a0022-459600aHeterocyclic tri-urea isocyanurate bridged groups modified periodic mesoporous organosilica synthesized for Fe(III) adsorption0 aHeterocyclic triurea isocyanurate bridged groups modified period a525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USAbACADEMIC PRESS INC ELSEVIER SCIENCEcOCT a392-3990 v1943 a

To achieve a high level of heavy metal adsorption, 1,1',1 `'-(1,3,5-triazine-2,4,6-triyl)tris(3-(3-(triethoxysilyl) propyl)urea) (TTPU) was synthesized as a novel melamine precursor and incorporated on the silica surface of periodic mesoporous organosilica (PMO). The melamine modified PMOs (MPMOs) were synthesized under acidic conditions using TTPU, tetraethylorthosilicate (TEOS) and Pluronic P123 as a template and the modified PMOs were characterized using the relevant instrumental techniques. The characteristic materials were used as adsorbents for the adsorption of Fe(III) ions. Fe(III) adsorption studies revealed MPMO-7.5 to be a good absorbent with higher adsorption efficiency than other MPMOs. (C) 2012 Elsevier Inc. All rights reserved.

10aAdsorption efficiency10aFe(III) adsorption10aMelamine10aPeriodic mesoporous organosilica (PMO)1 aRana, Vijay, Kumar1 aSelvaraj, M.1 aParambadath, Surendran1 aChu, Sang-Wook1 aPark, Sung, Soo1 aMishra, Satyendra1 aSingh, Raj, Pal1 aHa, Chang-Sik uhttps://library.ncl.res.in/content/heterocyclic-tri-urea-isocyanurate-bridged-groups-modified-periodic-mesoporous-001459nas a2200157 4500008004100000022001400041245012400055210006900179260012500248300001100373490000800384520073600392100002801128700002501156856012001181 2012 eng d a0003-695100aHigh magnetostriction and coupling coefficient for sintered cobalt ferrite derived from superparamagnetic nanoparticles0 aHigh magnetostriction and coupling coefficient for sintered coba aCIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USAbAMER INST PHYSICScAUG a0724050 v1013 a

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

1 aMohaideen, Kamal, Khaja1 aJoy, Pattayil, Alias uhttps://library.ncl.res.in/content/high-magnetostriction-and-coupling-coefficient-sintered-cobalt-ferrite-derived-001159nas a2200205 4500008004100000022001400041245008500055210006900140260008700209300001400296490000700310520041100317653002600728653001800754653001300772653001400785100001600799700002200815856011600837 2012 eng d a1674-729100aHigh viscosity of ionic liquids causes rate retardation of Diels-Alder reactions0 aHigh viscosity of ionic liquids causes rate retardation of Diels a16 DONGHUANGCHENGGEN NORTH ST, BEIJING 100717, PEOPLES R CHINAbSCIENCE PRESScAUG a1633-16370 v553 a

Second order rate constants, k (2) have been determined for three bi-molecular Diels-Alder reactions to demonstrate that the high viscosity of ionic liquids can be a detrimental property in carrying out Diels-Alder reactions, if ionic liquids are employed as solvent media. It is possible to enhance the reaction rates of the reaction if a co-solvent is mixed in pure ionic liquid used as a solvent.

10aDiels-Alder reactions10aionic liquids10akinetics10aviscosity1 aKumar, Anil1 aPawar, Sanjay, S. uhttps://library.ncl.res.in/content/high-viscosity-ionic-liquids-causes-rate-retardation-diels-alder-reactions-001041nas a2200229 4500008004100000022001400041245008300055210006900138260010600207300001400313490000700327520021200334653001500546653001600561653002000577653002900597653001400626100002400640700001900664700002300683856010500706 2012 eng d a0040-402000aHighly diastereoselective total synthesis of (+/-)-heritonin and (+/-)-heritol0 aHighly diastereoselective total synthesis of heritonin and herit aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcOCT a8509-85140 v683 a

A highly diastereoselective synthesis of heritol and heritonin by intramolecular cyclization on a preformed sensitive butenolide functionality is described. (C) 2012 Elsevier Ltd. All rights reserved.

10aButenolide10acyclization10aDihydroxylation10aFriedel-Crafts acylation10aTetralone1 aChavan, Subhash, P.1 aGarai, Sumanta1 aKalkote, Uttam, R. uhttps://library.ncl.res.in/content/highly-diastereoselective-total-synthesis-heritonin-and-heritol-001250nas a2200205 4500008004100000022001400041245009300055210006900148260007100217300001400288490000800302520048800310100002100798700002400819700001100843700002400854700001900878700002600897856012100923 2012 eng d a0002-786300aHighly efficient (R-X-R)-type carbamates as molecular transporters for cellular delivery0 aHighly efficient RXRtype carbamates as molecular transporters fo a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcMAY a7196-71990 v1343 a

The (R-X-R) motif-containing arginine-rich peptides are among the most effective cell-penetrating peptides. The replacement of amide linkages in the (R-X-R) motif by carbamate linkages as in (r-ahx-r)(4) or (r-ahx-r-r-apr-r)(2) increases the efficacy of such oligomers several-fold. Internalization of these oligomers in mammalian cell lines occurs by an energy-independent process. These oligomers show efficient delivery of biologically active plasmid DNA into CHO-K1 cells.

1 aPatil, Kiran, M.1 aNaik, Rangeetha, J.1 aRajpal1 aFernandes, Moneesha1 aGanguli, Munia1 aKumar, Vaijayanti, A. uhttps://library.ncl.res.in/content/highly-efficient-r-x-r-type-carbamates-molecular-transporters-cellular-delivery-002612nas a2200169 4500008004100000245011400041210006900155260000800224300001400232490000600246520198900252100001802241700001802259700001802277700001702295856013002312 2012 eng d00aHighly selective and dual responsive test paper sensor of Hg2+/ Cr3+ for naked eye detection in neutral water0 aHighly selective and dual responsive test paper sensor of Hg2 Cr cMAR a3714-37210 v23 a

A highly selective and sensitive colorimetric and fluorogenic sensor (L1) for Hg2+/Cr3+ is reported. This reagent (L1) was synthesized by reacting 4-((4 (dimethylamino)phenyl)diazenyl)benzene-1-sulfonyl chloride, which has a dimethylaminophenyldiazenyl fragment as a photoactive signalling unit, with 2,2′-(3,3′-azanediylbis(propane-3,1-diyl))diisoindoline-1,3-dione as the receptor fragment. The reagent was characterized by standard analytical and spectroscopic techniques. Electronic spectral studies revealed that the reagent was selective for Hg2+ and Cr3+ in the presence of all other metal ions of Group 1A, IIA and all other common transition metal ions. On binding of L1 to the Hg2+ or Cr3+ centres, a new intense absorption band with a λmax of 509 nm appeared with associated changes in the visually detectable solution colour from yellow to red. Fluorescence spectral studies revealed a significant enhancement in the emission intensities upon coordination to Hg2+ or Cr3+ without any change in the emission wavelength. This could be explained by the efficient interruption of the photo induced electron transfer signalling mechanism involving an unshared pair of electrons from the central tertiary amine centre. An easy to prepare paper test kit, which was obtained by soaking the filter paper in a dichloromethane solution of L1, presents an approach that could be successfully used in the detection of Hg2+ or Cr3+ ions present in neutral aqueous media. This indicates the potential application of this dip strip type sensor for the detection of Hg2+ and Cr3+ in neutral aqueous environments without any spectroscopic instrumentation. Importantly, this reagent binds specifically to Cr3+ in the presence of an excess of iodide ions, which act as a masking agent for Hg2+. To the best of our knowledge, there are very few examples of detection limits lower than the present test strip for Hg2+ in the literature, while, for Cr3+, no such report is available.

1 aDas, Priyadip1 aGhosh, Amrita1 aBhatt, Hitesh1 aDas, Amitava uhttps://library.ncl.res.in/content/highly-selective-and-dual-responsive-test-paper-sensor-hg2-cr3-naked-eye-detection-neutral02326nas a2200277 4500008004100000022001400041245011600055210006900171260010600240300001400346490000700360520125500367653002201622653002701644653002401671653002701695653002901722100002001751700002101771700002601792700002201818700002601840700002401866700002601890856013201916 2012 eng d a0960-894X00aHybrid molecules of carvacrol and benzoyl urea/thiourea with potential applications in agriculture and medicine0 aHybrid molecules of carvacrol and benzoyl ureathiourea with pote aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcSEP a5550-55540 v223 a

Benzoyl phenyl urea, a class of insect growth regulator's acts by inhibiting chitin synthesis. Carvacrol, a naturally occurring monoterpenoid is an effective antifungal agent. We have structurally modified carvacrol (2-methyl-5-[1-methylethyl] phenol) by introducing benzoylphenyl urea linkage. Two series of benzoylcarvacryl thiourea (BCTU, 4a-f) and benzoylcarvacryl urea (BCU, 5a-f) derivatives were prepared and characterized by elemental analysis, IR, H-1 and C-13 NMR and Mass spectroscopy. Derivatives 4b, 4d, 4e, 4f and 5d, 5f showed comparable insecticidal activity with the standard BPU lufenuron against Dysdercus koenigii. BCTU derivatives 4c, 4e and BCU 5c showed good antifungal activity against phytopathogenic fungi viz. Magnaporthe grisae, Fusarium oxysporum, Dreschlera oryzae; food spoilage yeasts viz. Debaromyces hansenii, Pichia membranifaciens; and human pathogens viz. Candida albicans and Cryptococcus neoformans. Compounds 5d, 5e and 5f showed potent activity against human pathogens. Moderate and selective activity was observed for other compounds. All the synthesized compounds were non-haemolytic. These compounds have potential application in agriculture and medicine. (C) 2012 Elsevier Ltd. All rights reserved.

10aAntifungal agents10aBenzoyl carvacryl urea10aBenzoyl phenyl urea10aCrop protection agents10aInsect growth regulators1 aPete, Umesh, D.1 aZade, Chetan, M.1 aBhosale, Jitendra, D.1 aTupe, Santosh, G.1 aChaudhary, Preeti, M.1 aDikundwar, Amol, G.1 aBendre, Ratnamala, S. uhttps://library.ncl.res.in/content/hybrid-molecules-carvacrol-and-benzoyl-ureathiourea-potential-applications-agriculture-and-001969nas a2200169 4500008004100000022001400041245007400055210006900129260007100198300001600269490000700285520132800292100003201620700002301652700002201675856010201697 2012 eng d a0888-588500aHydrodynamics of liquid-liquid dispersion in an advanced-flow reactor0 aHydrodynamics of liquidliquid dispersion in an advancedflow reac a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcDEC a16251-162620 v513 a

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

1 aNieves-Remacha, Maria, Jose1 aKulkarni, Amol, A.1 aJensen, Klavs, F. uhttps://library.ncl.res.in/content/hydrodynamics-liquid-liquid-dispersion-advanced-flow-reactor-002041nas a2200169 4500008004100000022001400041245012400055210006900179260011000248300001200358490000600370520129000376100002401666700003001690700002401720856012701744 2012 eng d a2040-336400aHydrous RuO2-carbon nanofiber electrodes with high mass and electrode-specific capacitance for efficient energy storage0 aHydrous RuO2carbon nanofiber electrodes with high mass and elect aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcDEC a890-8960 v43 a

We demonstrate a new strategy for the fabrication of supercapacitor electrodes possessing high mass and area-specific capacitance for efficient charge storage, which can be extremely useful for the development of light, compact and high performance supercapacitors for a variety of high power demanding applications. High mass and electrode area specific capacitances were attained by using Hydrous Ruthenium Oxide (HRO)-Carbon Nanofiber (CNF) hybrid electrodes prepared by the deposition of HRO (similar to 31% Ru content) on both the outer and inner surfaces of a cylindrical hollow CNF having open tips. Electrochemical studies of the uniformly deposited HRO nanoparticles on the CNF surface showed a mass specific capacitance of 645 F g(-1) and an electrode specific capacitance of 1.29 F cm(-2) with a HRO-CNF material loading of 2 mg cm(-2) in the supercapacitor electrodes. The mass specific capacitance of pure HRO is 301 F g(-1), whereas the mass specific capacitance of HRO in the HRO-CNF electrode is similar to 1300 F g(-1), which is very close to the theoretical capacitance of HRO. This enhanced charge storage ability, high rate capability, better cyclic stability and low ESR of the HRO-CNF will be useful for the development of high performance supercapacitors.

1 aVellacheri, Ranjith1 aPillai, Vijayamohanan, K.1 aKurungot, Sreekumar uhttps://library.ncl.res.in/content/hydrous-ruo2-carbon-nanofiber-electrodes-high-mass-and-electrode-specific-capacitance-002238nas a2200253 4500008004100000022001400041245012400055210006900179260010600248300001200354490000700366520128200373653002701655653001701682653001701699653001901716653001901735653002201754100002101776700002301797700001901820700001901839856012601858 2013 eng d a0360-544200aHBGS (hydrate based gas separation) process for carbon dioxide capture employing an unstirred reactor with cyclopentane0 aHBGS hydrate based gas separation process for carbon dioxide cap aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcDEC a252-2590 v633 a

The effect of CP (cyclopentane) as a promoter/additive, in the HBGS (hydrate based gas separation) process for pre-combustion gas mixture was investigated by employing an unstirred reactor configuration. Gas uptake measurements were performed at two different temperatures (275.7 K and 285.7 K) and at an experimental pressure of 6.0 MPa to determine the kinetics of hydrate formation. Experiments were conducted with three different volumes (7.5, 15 and 22 ml) of CP and based on induction time and the rate of hydrate growth, 15 ml of CP was determined to be the optimal volume for carbon dioxide capture at 6.0 MPa and 275.7 K. In addition, the effect of a kinetic promoter, SDS (sodium dodecyl sulfate), was investigated. Surprisingly, no improvement in kinetic performance was observed at 6.0 MPa and 275.7 K in the presence of SDS and CP. From the study, it was found that at the optimal 15 ml CP (CP layer thickness of 1.8 mm), the average composition of carbon dioxide in the hydrate phase was 90.36 mol% with a separation factor of 17.82. Furthermore, the unstirred reactor also yielded better kinetic performance over the stirred tank reactor with the unstirred reactor having a 2.28 times higher average gas uptake. (C) 2013 Elsevier Ltd. All rights reserved.

10aCarbon dioxide capture10aCyclopentane10aGas hydrates10aGas separation10aPre-combustion10aUnstirred reactor1 aHo, Leong, Chuan1 aBabu, Ponnivalavan1 aKumar, Rajnish1 aLinga, Praveen uhttps://library.ncl.res.in/content/hbgs-hydrate-based-gas-separation-process-carbon-dioxide-capture-employing-unstirred-001985nas a2200169 4500008004100000022001400041245011400055210006900169260007100238300001600309490000800325520129200333100002601625700001901651700001501670856013001685 2013 eng d a1932-744700aHeat transfer calculations for decomposition of structure i methane hydrates by molecular dynamics simulation0 aHeat transfer calculations for decomposition of structure i meth a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcJUN a12172-121820 v1173 a

Microcanonical ensemble molecular dynamics simulations of structure I methane hydrate is presented in this work to study the endothermic decomposition process. The mechanism of decomposition of methane hydrate as a function of time was explained at the molecular level. The initial temperature and pressure of the simulation were chosen so as to depict the natural gas hydrate in conditions of oceanic sediments. A more realistic strategy was developed to perform the microcanonical ensemble simulation of solid liquid interface of hydrate and amorphous water. Two water models, SPC/E and TIP4P, were used for the simulations, and the results of the simulations were compared. Heat transfer calculations were performed on the adiabatic system, and an attempt has been made to fit the MD simulation results to the heat balance equations derived from the heat transfer calculations. Estimates of the properties at the macroscopic scale, like the equilibrium temperature of methane hydrate and rate of supply of hot water for sustained release of methane from solid hydrate phase, were determined. The equilibrium temperature obtained by the above method was found to be in agreement with the experimentally observed value. Both the SPC/E and TIP4P water models gave similar results.

1 aBaghel, Vikesh, Singh1 aKumar, Rajnish1 aRoy, Sudip uhttps://library.ncl.res.in/content/heat-transfer-calculations-decomposition-structure-i-methane-hydrates-molecular-dynamics-001670nas a2200241 4500008004100000022001400041245010800055210006900163260007300232300001000305490000700315520079400322653001001116653002401126653002701150653002101177653002101198653000801219100002001227700002101247700002901268856013101297 2013 eng d a1566-736700aHeterogeneous Co3O4 catalyst for selective oxidation of aqueous veratryl alcohol using molecular oxygen0 aHeterogeneous Co3O4 catalyst for selective oxidation of aqueous  aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcMAR a66-690 v333 a

Nano-structured, spinel Co3O4 catalyst was developed for the aqueous phase oxidation of veratryl alcohol, which showed the highest conversion of 85% with 96% selectivity to veratryl aldehyde. The co-existence of Co3+ and Co2+ species in the octahedral and tetrahedral positions respectively, was confirmed by XPS, cyclic voltammogram, TPR and TPO characterization. The rod-like morphology of Co3O4 catalyst was confirmed by HRTEM. The effects of various reaction parameters namely, catalyst concentration, temperature and partial oxygen pressure on conversion and selectivity patterns were also studied for the oxidation of veratryl alcohol. This catalyst also showed an excellent stability as evidenced by successful reusability for three times. (C) 2012 Published by Elsevier B.V.

10aCo3O410aCyclic voltammogram10aLiquid phase oxidation10aMolecular oxygen10aVeratryl alcohol10aXPS1 aMate, Vivek, R.1 aShirai, Masayuki1 aRode, Chandrashekhar, V. uhttps://library.ncl.res.in/content/heterogeneous-co3o4-catalyst-selective-oxidation-aqueous-veratryl-alcohol-using-molecular-001682nas a2200217 4500008004100000245007600041210006900117260000800186300002500194490000600219520094700225100002801172700002201200700003001222700002701252700001701279700001901296700001401315700002801329856010701357 2013 eng d00aHeterovalent cation substitutional doping for quantum dot homojunctions0 aHeterovalent cation substitutional doping for quantum dot homoju cDEC aArticle number: 29810 v43 a

Colloidal quantum dots have emerged as a material platform for low-cost high-performance optoelectronics. At the heart of optoelectronic devices lies the formation of a junction, which requires the intimate contact of n-type and p-type semiconductors. Doping in bulk semiconductors has been largely deployed for many decades, yet electronically active doping in quantum dots has remained a challenge and the demonstration of robust functional optoelectronic devices had thus far been elusive. Here we report an optoelectronic device, a quantum dot homojunction solar cell, based on heterovalent cation substitution. We used PbS quantum dots as a reference material, which is a p-type semiconductor, and we employed Bi-doping to transform it into an n-type semiconductor. We then combined the two layers into a homojunction device operating as a solar cell robustly under ambient air conditions with power conversion efficiency of 2.7%.

1 aStavrinadis, Alexandros1 aRath, Arup, Kumar1 ade Arquer, Pelayo, Garcia1 aDiedenhofen, Silke, L.1 aMagen, Cesar1 aMartinez, Luis1 aSo, David1 aKonstantatos, Gerasimos uhttps://library.ncl.res.in/content/heterovalent-cation-substitutional-doping-quantum-dot-homojunctions01897nas a2200217 4500008004100000022001400041245012200055210006900177260011000246300001400356490000600370520100900376100002901385700002301414700002601437700002101463700002001484700002301504700002501527856012701552 2013 eng d a2050-752600aHigh efficiency electron field emission from protruded graphene oxide nanosheets supported on sharp silicon nanowires0 aHigh efficiency electron field emission from protruded graphene  aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcJUN a5040-50460 v13 a

Graphene oxide (GO) potentially has applications in vacuum microelectronic devices for realization of field emission displays. Graphene and its derivatives are expected to be efficient field emitters due to their unique electrical properties. However, the flat sheet structure of graphene or GO allows electron field emission only from the edges of graphene and GO nanosheets. In order to extract maximum field emission current density at lower applied voltage from the GO nanosheets, we supported and stretched them on sharp tips of silicon nanowires (SiNWs). Highly efficient and stable field emission with low turn-on field was observed for these SiNW-GO heterostructures. The sharp protrusions created by stretching of the GO nanosheets on SiNWs locally enhance the electric field and thus enhance the field emission characteristics. The dominant use of silicon in electronic devices makes this approach robust for the development of field emission devices using graphene based field emitters.

1 aDevarapalli, Rami, Reddy1 aKashid, Ranjit, V.1 aDeshmukh, Ashvini, B.1 aSharma, Ponchami1 aDas, Manash, R.1 aMore, Mahendra, A.1 aShelke, Manjusha, V. uhttps://library.ncl.res.in/content/high-efficiency-electron-field-emission-protruded-graphene-oxide-nanosheets-supported-001798nas a2200217 4500008004100000022001400041245014400055210006900199260007300268300001400341490000700355520092600362653001901288653002901307653002101336653002001357653002001377100002801397700002501425856013001450 2013 eng d a1567-173900aHigh magnetostriction coefficient of Mn substituted cobalt ferrite sintered from nanocrystalline powders and after magnetic field annealing0 aHigh magnetostriction coefficient of Mn substituted cobalt ferri aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcOCT a1697-17010 v133 a

Magnetostriction characteristics of Mn substituted cobalt ferrite, CoFe2-xMnxO4 (0 <= x <= 0.3), sintered from nanocrystalline powders of average particle size of similar to 4 nm have been studied. Larger value of magnetostriction at lower magnetic field is achieved after substitution of Mn for Fe. The maximum value of magnetostriction coefficient is not much affected and the slope of the magnetostriction is increased with increasing Mn content. Higher maximum value of magnetostriction coefficient (lambda) of 234 ppm comparable to that of the unsubstituted composition with larger strain derivative (d lambda/dH) is obtained for x = 0.2 in CoFe2-xMnxO4. The magnetostriction coefficient is increased to 262 ppm with further enhancement in the strain derivative after annealing the sintered compact at 300 degrees C in a magnetic field of 400 kA/m for 30 min. (C) 2013 Elsevier B.V. All rights reserved.

10aCobalt ferrite10aMagnetic field annealing10aMagnetostriction10aMn substitution10aNanocrystalline1 aMohaideen, Kamal, Khaja1 aJoy, Pattayil, Alias uhttps://library.ncl.res.in/content/high-magnetostriction-coefficient-mn-substituted-cobalt-ferrite-sintered-nanocrystalline-001284nas a2200193 4500008004100000022001400041245022000055210006900275260011000344300001600454490000600470520037000476100001900846700003100865700002700896700001900923700001600942856013200958 2013 eng d a2046-206900aHighly concise and practical route to clavaminols, sphinganine and (+)-spisulosine via indium mediated allylation of alpha-hydrazino aldehyde and a theoretical insight into the stereochemical aspects of the reaction0 aHighly concise and practical route to clavaminols sphinganine an aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcJUL a15442-154480 v33 a

A conceptually different approach has been employed for the synthesis of 1,2-amino alcohols by proline-catalyzed alpha-amination of aldehyde and one-pot indium mediated allylation of the crude alpha-hydrazino aldehydes. DFT based quantum chemical calculations have been performed to obtain a quantitative explanation of the stereoselectivity of the reaction.

1 aPandey, Menaka1 aChowdhury, Partha, Sarathi1 aDutta, Achintya, Kumar1 aKumar, Pradeep1 aPal, Sourav uhttps://library.ncl.res.in/content/highly-concise-and-practical-route-clavaminols-sphinganine-and-spisulosine-indium-mediated-001468nas a2200217 4500008004100000022001400041245015100055210006900206260007500275300001000350490000700360520061300367653002000980653001301000653003101013653002501044653001201069653001701081100002601098856012601124 2013 eng d a0369-820300aHighly efficient catalyst derived from Ni-Fe-hydrotalcite for solvent-free O- or S-acetylation of alcohols, phenols and thiols at room temperature0 aHighly efficient catalyst derived from NiFehydrotalcite for solv a5 LAJPATRAI RD, ALLAHABAD 211002, INDIAbNATL ACAD SCIENCES INDIAcMAR a15-190 v833 a

Solvent-free O-acetylation of alcohols (including secondary and tertiary alcohols) and phenols and S- acetylation of thiols by acetyl chloride with high product yields at room temperature in a very short reaction period can be easily accomplished using a small amount of solid catalyst obtained from the decomposition (at 600 A degrees C) of Ni-Fe-hydrotalcite. Both the reactions are carried out at room temperature under solvent-free conditions. The catalyst can be easily separated from the reaction mixture, simply by filtration and reused several times without a significant loss of its activity.

10aAcetyl chloride10aAlcohols10aNi-Fe- ht derived catalyst10aO- and S-acetylation10aPhenols10aSolvent-free1 aChoudhary, Vasant, R. uhttps://library.ncl.res.in/content/highly-efficient-catalyst-derived-ni-fe-hydrotalcite-solvent-free-o-or-s-acetylation-001685nas a2200241 4500008004100000022001400041245013600055210006900191260007700260300001400337490000700351520076700358653001201125653001201137653001401149653002801163653002101191100002201212700002501234700002301259700002901282856013201311 2013 eng d a2192-650600aHighly efficient povidone-phosphotungstic acid catalyst for the tandem acetalization of aldehydes to bis- and tris(indolyl)methanes0 aHighly efficient povidonephosphotungstic acid catalyst for the t aBOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANYbWILEY-V C H VERLAG GMBHcNOV a1393-13990 v783 a

A novel, nonleachable hybrid of heteropoly acid and polyvinylpyrrolidone (or povidone) catalyzes the acetalization of aldehydes in methanol at room temperature followed by reaction with indole to give bis(indolyl)methanes (BIMs) and tris(indolyl)methanes (TIMs) in quantitative yields (90-97%). The catalyst was shown by pyridine FTIR spectroscopy to possess BrOnsted acidity, and the hybrid formation was confirmed by XRD and (PNMR)-P-31 studies. Friedel-Crafts alkylation of indole as well as the tandem synthesis of BIMs and TIMs were established with several types of carbonyl and indole substrates to give the corresponding products quantitatively. The catalyst was recycled efficiently for three successive runs without losing its original activity.

10aacetals10aAcidity10aaldehydes10aheterogeneous catalysis10aheteropoly acids1 aKamble, Sumit, B.1 aSwami, Rameshwar, K.1 aSakate, Sachin, S.1 aRode, Chandrashekhar, V. uhttps://library.ncl.res.in/content/highly-efficient-povidone-phosphotungstic-acid-catalyst-tandem-acetalization-aldehydes-bis-001492nas a2200157 4500008004100000022001400041245012200055210006900177260011000246300001400356490000700370520078600377100001401163700002901177856012801206 2013 eng d a1144-054600aHighly selective liquid-phase aerobic oxidation of vanillyl alcohol to vanillin on cobalt oxide (Co3O4) nanoparticles0 aHighly selective liquidphase aerobic oxidation of vanillyl alcoh aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcJUN a2669-26740 v373 a

Spinel Co3O4 nanoparticles prepared by solution phase method having particle size in the range of 12-20 nm exhibited excellent activity for the liquid-phase aerobic oxidation of vanillyl alcohol with 80% conversion and 98% selectivity to vanillin. Our catalyst could be reused three times without appreciable loss in activity. The catalytic activity of the Co3O4 nanoparticles was found to be similar to its homogenous precursor (cobalt acetate) and greater than the commercial Co3O4 oxide. The detailed characterization results of morphology, size and structure of the prepared Co3O4 nanoparticles obtained by XRD, FT-IR, H-2-TPR, HR-TEM and cyclic voltammetry technique were used to understand the roles of various Co species in directing the selectivity towards vanillin.

1 aJha, Ajay1 aRode, Chandrashekhar, V. uhttps://library.ncl.res.in/content/highly-selective-liquid-phase-aerobic-oxidation-vanillyl-alcohol-vanillin-cobalt-oxide-002221nas a2200265 4500008004100000022001400041245009800055210006900153260010200222300001400324490000800338520125200346653002501598653002201623653002801645653003201673100001601705700001501721700001901736700001601755700001501771700001901786700002001805856013001825 2013 eng d a0011-389100aHigh-resolution outgoing longwave radiation dataset from Kalpana-1 satellite during 2004-20120 aHighresolution outgoing longwave radiation dataset from Kalpana1 aC V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIAbINDIAN ACAD SCIENCEScOCT a1124-11330 v1053 a

Long record of high-resolution quality-controlled outgoing longwave radiation (OLR) from geostationary platforms like Kalpana-1 has the potential not only to provide detailed information of cloud types contributing to the measure of rain, but also helps unravel convective cloud organization in the tropics from small scale to meso- and synoptic scales. A research quality product of three hourly OLR for the period May 2004 June 2012 is produced from Kalpana-1 very high resolution radiometer (VHRR) radiances over the Indian region (40 degrees S-40 degrees N, 25-125 degrees E) in a regular grid of 0.25 x 0.25 degrees. The quality and usefulness of the dataset is demonstrated here using some illustrative examples. Although these data are available for a relatively short-period, it is shown that they will be potentially more useful than the widely used OLR from NOAA satellites in representing the annual cycles, particularly over the desert and humid oceans, due to their frequent sampling and quality. The active-break periods in the Indian summer monsoon picked up by both the OLR match well. This three hourly OLR estimated from Kalpana-1 VHRR is able to describe the fine-scale structure of the diurnal variation over the region.

10aActive break periods10adiurnal variation10ageostationary platforms10aoutgoing longwave radiation1 aMahakur, M.1 aPrabhu, A.1 aSharma, A., K.1 aRao, V., R.1 aSenroy, S.1 aSingh, Randhir1 aGoswami, B., N. uhttps://library.ncl.res.in/content/high-resolution-outgoing-longwave-radiation-dataset-kalpana-1-satellite-during-2004-2012-002658nas a2200313 4500008004100000022001400041245010900055210006900164260007400233300002600307490000700333520156000340653001801900653001501918653001901933653002201952653001801974653002801992100002202020700002102042700002202063700002002085700001802105700002302123700001702146700002202163700002902185856013002214 2013 eng d a1388-076400aHollow nanogold/meso-magnetite composite: pulsed laser synthesis, properties, and biosensing application0 aHollow nanogoldmesomagnetite composite pulsed laser synthesis pr aVAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDSbSPRINGERcNOV aArticle No. UNSP 20810 v153 a

A facile and template-free UV (Excimer) laser photolysis process is demonstrated to transform a Fe-complex into unique hollow Fe3O4 nanosphere morphology with each sphere having nanometric pores and an opening. Depending on the Fe-complex concentration and processing time interesting configurations are seen to evolve. When an identical process is applied to a mixture of Fe-complex and chloroauric acid an enthrallingly decorated Au-Fe3O4 nanostructure evolves, with Au nanoparticles surface-loaded on mesospheric Fe3O4. This room temperature process implemented under normal laboratory conditions is clearly versatile and applicable to heterojunction nanomaterials synthesis in a single-step process. The potential application of these gold-decorated magnetic nanostructures was also investigated for immuno-magnetic capture of E. coli in biosensing and these were found to be sensitive even below 1,000 cfu/ml. The test results demonstrate linear sensing response in the range of 10(3)-10(5) cfu/ml. We also show that these nanostructures can be used for simple electrical conductivity-based biosensing since they show dramatic conductivity change in a simple drop-cast test. A new laser-based approach to the synthesis of unique hollow sphere morphology of magnetite (Fe3O4) without and with Au nanoparticle decoration is presented. The potential application of these gold-decorated magnetic nanostructures was also investigated for immuno-magnetic capture of E. coli in biosensing and these were found to be sensitive even below 1,000 cfu/ml.

10aE. coli cells10aFe-complex10aMeso-magnetite10aNanobiotechnology10aNanocomposite10aPulse laser irradiation1 aChaudhari, Nilima1 aWarule, Sambhaji1 aAgrawal, Shailaja1 aThakare, Vishal1 aJouen, Samuel1 aHannoyer, Beatrice1 aKale, Bharat1 aPaknikar, Kishore1 aOgale, Satishchandra, B. uhttps://library.ncl.res.in/content/hollow-nanogoldmeso-magnetite-composite-pulsed-laser-synthesis-properties-and-biosensing-001881nas a2200205 4500008004100000022001400041245012700055210006900182260005800251300000700309490000700316520110900323653001601432653001301448653002401461100002301485700001801508700002301526856012601549 2013 eng d a1536-244200aHost plant selection by larvae of the muga silk moth, antheraea assamensis, and the role of the antenna and maxillary palp0 aHost plant selection by larvae of the muga silk moth antheraea a aLIBRARY C327, TUCSON, AZ 85721 USAbUNIV ARIZONAcJUN a520 v133 a

The importance of olfactory senses in food preference in fifth instar larvae of Antheraea assamensis Helfer (Lepidoptera: Saturniidae) was examined by subjecting larvae with only antennae or maxillary palpi after microsurgery to food and odor choice tests. Mean percent consumption, total consumption, and choice indices were used as parameters for drawing conclusions. The foods used were two hosts, two non-hosts, and a neutral medium (water). Both antennae and maxillary palpi were fully competent in preference for host plants, Persea bombycina Kostermans (Laurales: Lauraceae) and Litsea polyantha Juss, over the non-hosts, Litsea grandifolia Teschner and Ziziphus jujuba Miller (Rosales: Rhamnaceae). Both were competent in rejecting the non-hosts, L. grandifolia and Z. jujuba. The odor choice test was carried out using a Y-tube olfactometer and showed similar results to the ingestive tests. The results indicate the necessity of functional integration of a combination of olfactory and gustatory sensilla present in different peripheral organs in food acceptance by A. assamensis larvae.

10afood choice10amaxillae10aY-tube olfactometer1 aBora, Dipsikha, S.1 aDeka, Bhabesh1 aSen, Avolikiteswar uhttps://library.ncl.res.in/content/host-plant-selection-larvae-muga-silk-moth-antheraea-assamensis-and-role-antenna-and-002710nas a2200241 4500008004100000022001400041245011900055210006900174260010300243300001400346490000700360520177700367653003802144653001402182653001902196653001102215100002302226700002202249700002402271700002502295700001902320856012902339 2013 eng d a0300-908400aHuman mitochondrial NDUFS3 protein bearing leigh syndrome mutation is more prone to aggregation than its wild-type0 aHuman mitochondrial NDUFS3 protein bearing leigh syndrome mutati a23 RUE LINOIS, 75724 PARIS, FRANCEbELSEVIER FRANCE-EDITIONS SCIENTIFIQUES MEDICALES ELSEVIERcDEC a2392-24030 v953 a

NDUFS3 is an integral subunit of the Q module of the mitochondrial respiratory Complex-I. The combined mutation (T145I + R199W) in the subunit is reported to cause optic atrophy and Leigh syndrome accompanied by severe Complex-I deficiency. In the present study, we have cloned and overexpressed the human NDUFS3 subunit and its double mutant in a soluble form in Escherichia coli. The wild-type (w-t) and mutant proteins were purified to homogeneity through a serial two-step chromatographic purification procedure of anion exchange followed by size exclusion chromatography. The integrity and purity of the purified proteins was confirmed by Western blot analysis and MALDI-TOF/TOF. The conformational transitions of the purified subunits were studied through steady state as well as time resolved fluorescence and CD spectroscopy under various denaturing conditions. The mutant protein showed altered polarity around tryptophan residues, changed quenching parameters and also noticeably altered secondary and tertiary structure compared to the w-t protein. Mutant also exhibited a higher tendency than the w-t protein for aggregation which was examined using fluorescent (Thioflavin-T) and spectroscopic (Congo red) dye binding techniques. The pH stability of the w-t and mutant proteins varied at extreme acidic pH and the molten globule like structure of w-t at pH1 was absent in case of the mutant protein. Both the w-t and mutant proteins showed multi-step thermal and Gdn-HCI induced unfolding. Thus, the results provide insight into the alterations of NDUFS3 protein structure caused by the mutations, affecting the overall integrity of the protein and finally leading to disruption of Complex-I assembly. (C) 2013 Elsevier Masson SAS. All rights reserved.

10aAggregation Fluorescence lifetime10aComplex-I10aLeigh syndrome10aNDUFS31 aJaokar, Tulika, M.1 aPatil, Deepak, P.1 aShouche, Yogesh, S.1 aGaikwad, Sushama, M.1 aSuresh, C., G. uhttps://library.ncl.res.in/content/human-mitochondrial-ndufs3-protein-bearing-leigh-syndrome-mutation-more-prone-aggregation01987nas a2200265 4500008004100000022001400041245010200055210006900157260009000226300001000316490000700326520103300333653002701366653001701393653001901410653002201429653001901451653001901470100002301489700001501512700002901527700001901556700001901575856012701594 2013 eng d a0021-961400aHydrate phase equilibrium of ternary gas mixtures containing carbon dioxide, hydrogen and propane0 aHydrate phase equilibrium of ternary gas mixtures containing car a24-28 OVAL RD, LONDON NW1 7DX, ENGLANDbACADEMIC PRESS LTD- ELSEVIER SCIENCE LTDcJUN a58-630 v613 a

Hydrate phase equilibrium of the ternary guest mixtures containing carbon dioxide, hydrogen and propane at two different compositions were determined. Addition of mole composition of 2.5% propane to the fuel gas (CO2 (40%)/H-2 (60%)) mixture reduces the hydrate formation conditions by 66% at the temperature of 278.4 K. A Clausius-Clapeyron plot for the experimental results was plotted and from the slope, the enthalpy of hydrate dissociation was calculated. The enthalpy of dissociation of the mixed hydrate formed from a ternary gas mixture containing mole composition 38.1% CO2, 59.4% H-2 and 2.5% C3H8 was found to be 110 kJ.mol(-1) and hence it was concluded that the mixed hydrate formed structure II (sII) hydrates. Whereas for the ternary gas mixture containing mole composition 80.0% CO2, 18.8% H-2, and 1.2% C3H8, the enthalpy of dissociation of the mixed hydrate was found to be 78 kJ.mol(-1) and hence we believe the mixed hydrate formed structure I (sI) hydrate. (C) 2013 Elsevier Ltd. All rights reserved.

10aCarbon dioxide capture10aGas hydrates10aGlobal warming10aPhase equilibrium10aPre-combustion10aThermodynamics1 aBabu, Ponnivalavan1 aYang, Ting1 aVeluswamy, Hari, Prakash1 aKumar, Rajnish1 aLinga, Praveen uhttps://library.ncl.res.in/content/hydrate-phase-equilibrium-ternary-gas-mixtures-containing-carbon-dioxide-hydrogen-and-001588nas a2200217 4500008004100000022001400041245006900055210006800124260010600192300001400298490000700312520080900319653002001128653002001148653001701168653002001185653002001205100002101225700002601246856009801272 2013 eng d a0360-319900aHydrogen generation with CO2 utilization: a solvay cluster study0 aHydrogen generation with CO2 utilization a solvay cluster study aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcFEB a2624-26330 v383 a

The fuel cell economy is yet to start research programs in hydrogen generation with CO2 utilization for hydrocarbon reforming processes used in fuel processor applications. A simple thermodynamic study using solvay clusters was done to investigate the feasibility of using the carbon species produced in the steam methane reforming process to produce value added chemicals. The results of this study are highly encouraging to start process development of closed systems of hydrogen generation with CO2 conversion to acetic acid/acrylic acid making easier the commercialization of fuel cells and hydrogen energy. Such studies can be specifically carried out for different fuel processor systems. Copyright (C) 2012, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved.

10aCO2 utilization10aFuel processing10aGibbs energy10aSolvay clusters10aSteam reforming1 aKale, Ganesh, R.1 aKulkarni, Bhaskar, D. uhttps://library.ncl.res.in/content/hydrogen-generation-co2-utilization-solvay-cluster-study-000846nas a2200229 4500008004100000022001400041245008700055210006900142260007700211300001600288490000700304653001900311653002400330653002300354653002900377653001800406100002000424700001800444700002200462700002000484856011200504 2013 eng d a1433-785100aHydrolytic conversion of a metal-organic polyhedron into a metal-organic framework0 aHydrolytic conversion of a metalorganic polyhedron into a metalo aBOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANYbWILEY-V C H VERLAG GMBHcDEC a13755-137590 v5210acage compounds10acrystal engineering10ahydrophobic effect10ametal-organic frameworks10aSelf-assembly1 aMallick, Arijit1 aGarai, Bikash1 aDiaz, David, Diaz1 aBanerjee, Rahul uhttps://library.ncl.res.in/content/hydrolytic-conversion-metal-organic-polyhedron-metal-organic-framework-001376nas a2200277 4500008004100000022001400041245012700055210006900182260007700251300001400328490000700342520039900349653001800748653002000766653001500786653001800801653001600819100002100835700001200856700001800868700001600886700001800902700002500920700002100945856013200966 2013 eng d a0947-653900aHydrophobic and hydrophilic balance and its effect on mesophase behaviour in hydroxyalkyl ethers of methyl glucopyranoside0 aHydrophobic and hydrophilic balance and its effect on mesophase  aBOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANYbWILEY-V C H VERLAG GMBHcAPR a5041-50490 v193 a

Four series of monosubstituted methyl -D-glucopyranoside hydroxyalkyl ethers were prepared and their thermotropic and lyotropic self-organising properties were investigated in terms of the hydrophobichydrophilic balance with respect to their molecular structures. The results obtained lead us to a new understanding of the forces that drive the formation of condensed soft-matter phases.

10acarbohydrates10aliquid crystals10amesophases10aSelf-assembly10asoft matter1 aSingh, Madan, K.1 aXu, Rui1 aMoebs, Sylvie1 aKumar, Anil1 aQueneau, Yves1 aCowling, Stephen, J.1 aGoodby, John, W. uhttps://library.ncl.res.in/content/hydrophobic-and-hydrophilic-balance-and-its-effect-mesophase-behaviour-hydroxyalkyl-ethers-002134nas a2200181 4500008004100000022001400041245011000055210006900165260011000234300001400344490000600358520136900364100001901733700003001752700001901782700002601801856012501827 2013 eng d a2044-475300aHydroxyapatite supported palladium catalysts for suzuki-miyaura cross-coupling reaction in aqueous medium0 aHydroxyapatite supported palladium catalysts for suzukimiyaura c aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcMAR a1625-16330 v33 a

Supported palladium catalyst 1 has been prepared by the immobilisation of [Pd(COD)Cl-2] (COD = 1,5-cyclooctadiene) on hydroxyapatite. Catalyst 2 has been prepared by subsequent reduction of catalyst 1 with sodium borohydride in ethanol. Under similar reaction conditions, catalyst 1 with Pd2+, is found to be almost five times more active than 2. Using 1 as the catalyst and water as the solvent, reaction conditions for Suzuki-Miyaura cross-coupling reactions have been optimised under aerobic conditions. The best catalytic activities are observed in the presence of potassium carbonate as the base and tetrabutylammonium bromide as a promoter. Catalyst 1 has been tested for catalytic cross-coupling reactions with sixteen different, electronically neutral, electron rich, electron poor and sterically hindered aryl boronic acids, and several different aryl halides including aryl chlorides. More than thousand turnovers and high selectivities to the hetero-coupled products have been observed in most cases. For many substrates the turnovers with 1 are notably more than what has been reported with other supported catalysts in water. The recyclability and scale-up potential of catalyst 1 have been tested and found to be satisfactory. A negligible drop in activity is observed over ten recycles with an accumulated turnover number of similar to 30000.

1 aIndra, Arindam1 aGopinath, Chinnakonda, S.1 aBhaduri, Sumit1 aLahiri, Goutam, Kumar uhttps://library.ncl.res.in/content/hydroxyapatite-supported-palladium-catalysts-suzuki-miyaura-cross-coupling-reaction-000662nas a2200133 4500008004100000022001400041245016000055210006900215260007900284300000900363490000700372100002100379856012800400 2013 eng d a0891-584900aHydroxyl radical generation in mycobacterial cell is an essential process for breaking dormancy and maintenance of active state by stepwise metabolic shift0 aHydroxyl radical generation in mycobacterial cell is an essentia a360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USAbELSEVIER SCIENCE INCcNOV aS1460 v651 aMishra, Abhishek uhttps://library.ncl.res.in/content/hydroxyl-radical-generation-mycobacterial-cell-essential-process-breaking-dormancy-and-001819nas a2200229 4500008004100000022001400041245008800055210006900143260007300212300001200285490000800297520095700305653005101262653002101313653003901334653003701373653001401410653001401424100001601438700002101454856011401475 2013 eng d a1381-116900aHydroxylation of phenol with hydrogen peroxide catalyzed by Ti-SBA-12 and Ti-SBA-160 aHydroxylation of phenol with hydrogen peroxide catalyzed by TiSB aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcMAR a112-1180 v3683 a

We report here, for the first time, the application of ordered, three-dimensional, mesoporous titanosilicates, Ti-SBA-12 and Ti-SBA-16, as reusable solid catalysts, for hydroxylation of phenol, an industrially important organic transformation. The reactions were conducted using 30% aqueous H2O2 as oxidant. The catalysts of this work are more efficient than the hitherto known mesoporous Ti-silicates. They are more para-product selective than TS-1 and other titanosilicates. Ti-SBA-12 exhibited higher activity and hydroquinone/catechol selectivity (by nearly two times) than Ti-SBA-16. H2O2 efficiency of similar to 90 mol% was obtained. Our study reveals that framework substituted Ti with pseudo-tetrahedral geometry, three-dimensional mesoporosity as well as surface structure are the unique features responsible for the high catalytic activity and selectivity of these titanosilicate catalysts. (C) 2012 Elsevier B.V. All rights reserved.

10aCatalytic liquid-phase hydroxylation of phenol10aMolecular sieves10aOrdered mesoporous titanosilicates10aOxidation with hydrogen peroxide10aTi-SBA-1210aTi-SBA-161 aKumar, Anuj1 aSrinivas, Darbha uhttps://library.ncl.res.in/content/hydroxylation-phenol-hydrogen-peroxide-catalyzed-ti-sba-12-and-ti-sba-16-001416nas a2200193 4500008004100000022001400041245006000055210006000115260012500175300001100300490000800311520069900319100001801018700002001036700002401056700003001080700002001110856009201130 2013 eng d a0003-695100aHysteresis and charge trapping in graphene quantum dots0 aHysteresis and charge trapping in graphene quantum dots aCIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USAbAMER INST PHYSICScAPR a1431040 v1023 a

We report current hysteresis in response to applied voltage in graphene quantum dots of average diameter 4.5 +/- 0.55 nm, synthesized electrochemically using multiwalled carbon nanotubes. In response to step voltages, transient current decay, characteristic of deep and shallow level charge traps with time constants 186 ms and 6 s, is observed. Discharging current transients indicate charge storage of the order of 100 mu C. Trap states are believed to arise due to the fast physisorption of external adsorbates, which are found to have a significant effect on charge transport and changes the resistance of the prepared device by an order of 3. (C) 2013 American Institute of Physics.

1 aKalita, Hemen1 aHarikrishnan, V1 aShinde, Dhanraj, B.1 aPillai, Vijayamohanan, K.1 aAslam, Mohammed uhttps://library.ncl.res.in/content/hysteresis-and-charge-trapping-graphene-quantum-dots02469nas a2200145 4500008004100000245014100041210006900182260000800251300001600259490000800275520187400283100002002157700001702177856012902194 2014 eng d00aH-bonding vs non-h bonding in 100% pyrene methacrylate comb polymers:self assembly probed by tres and temperature dependent fluorescence0 aHbonding vs nonh bonding in 100 pyrene methacrylate comb polymer cAPR a4951–49620 v1183 a

The differences in self-organization behavior in novel 100% pyrene labeled comb methacrylate polymers probed as a function of their varied origins of excimer formation are presented. The different structural variations in the polymers included the presence or absence of hydrogen bonding interactions in the form of urethane linkages, short or long alkyl spacer segments separating the pyrene units from the polymer backbone and linear versus kinked urethane linkage. The effect of variable concentration and temperature on the chemical shift of the NH proton of the urethane linkage was probed using 1H NMR experiments conducted at temperatures varying from 25 to 70 °C at two different concentrations (2.5 and 25 mmol) in DMSO-d6 as solvent. The photophysical properties of the polymers in dilute DMF solutions were investigated by steady state emission, fluorescence decay studies, time-resolved emission spectra (TRES), and variable temperature emission studies. It was observed that the polymer poly(PBH) having a non-hydrogen-bondable ester linkage in the pendant chains formed an excimer completely via a static mechanism and the ground state aggregate species were not broken even at higher temperatures. The polymer poly(PIC) having a short hydrogen-bondable urethane linkage formed an excimer via a static as well as dynamic mechanism. The other hydrogen-bondable urethane methacrylate polymers having a linear linker poly(PHH) and kinked linker (PIHP) formed excimer mostly via a dynamic mechanism with a very small contribution from the static route. The TRES studies carried out for the polymers provided significant insight into the excimer formation mechanism in these polymers. The variable temperature fluorescence studies highlighted the differences in the H-bonded vs non-H-bonded polymer as a function of their excimer recovery upon cooling.

1 aKaushlendra, K.1 aAsha, S., K. uhttps://library.ncl.res.in/content/h-bonding-vs-non-h-bonding-100-pyrene-methacrylate-comb-polymersself-assembly-probed-tres02051nas a2200253 4500008004100000022001400041245011600055210006900171260007700240300001400317490000700331520111700338653001601455653002601471653001401497653002101511653001301532653002601545100002101571700003301592700001401625700002801639856013001667 2014 eng d a1434-193X00aHeterogeneous foldamers from aliphatic-aromatic amino acid building blocks: current trends and future prospects0 aHeterogeneous foldamers from aliphaticaromatic amino acid buildi aBOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANYbWILEY-V C H VERLAG GMBHcDEC a7763-77800 v463 a

Chemists' constant pursuit of understanding of the underlying principles of nature's most intricate phenomenon such as protein folding has led to the development of the field of foldamers. The emergence of diverse classes of unnatural amino acid building blocks has unleashed countless opportunities to design, develop and explore the structural and functional aspects of synthetic peptides. One current trend in foldamer chemistry is the heterofoldamer approach, which involves systematic stoichiometric variation of various natural/unnatural amino acid residues, leading to conformational ordering with intriguing structural architectures. In this regard, the incorporation of aromatic amino acids provides efficient structural rigidification and tunability to the molecular scaffolds, which can exhibit a range of secondary structural features. Recent times have witnessed an upsurge of foldamers featuring aliphatic-aromatic residues with diverse structural propensities. This review is an effort to cover this rapidly developing field of foldamer science and also to envisage its future perspectives.

10aAmino acids10aConformation analysis10aFoldamers10ahydrogen bonding10aPeptides10aStacking interactions1 aNair, Roshna, V.1 aVijayadas, Kuruppanthara, N.1 aRoy, Arup1 aSanjayan, Gangadhar, J. uhttps://library.ncl.res.in/content/heterogeneous-foldamers-aliphatic-aromatic-amino-acid-building-blocks-current-trends-and-001535nas a2200205 4500008004100000022001400041245009900055210006900154260007500223300001200298490000700310520074200317653002801059653002701087653002801114653001901142100001701161700002001178856013101198 2014 eng d a0369-820300aHigh charge carrier mobility in two dimensional indium (iii) isophthalic acid based frameworks0 aHigh charge carrier mobility in two dimensional indium iii isoph a5 LAJPATRAI RD, ALLAHABAD 211002, INDIAbNATL ACAD SCIENCES INDIAcJUN a331-3360 v843 a

The effect of dimensionality (1D to 2D) on charge carrier mobility have been studied thoroughly on three In(III)-isophthalate based MOFs [In-IA-1D, In-IA-2D-1 and -2]. In-IA-1D possess 1D nanotubular architecture with [(CH3)(2)NH2](+). In-IA-2D-1 have 2D layers containing only [(CH3)(2)NH2](+) cations. Whereas, In-IA-2D-2 have [(CH3)(2)NH2](+) cations as well as solvent DMF molecule inside the crystal structure. Due to presence of the pi-pi stacking arrangement among the phenyl rings of IA moieties facilitates the high charge carrier mobility (4.6 x 10(-3) cm(2) V-1 s(-1) at V-G = -40 V) in In-IA-2D-2. However, In-IA-1D and In-IA-2D-1 does not show any charge carrier mobility due to absence of pi-pi stacking arrangement.

10aCharge carrier mobility10aCoordination chemistry10ametal organic framework10api-pi stacking1 aPanda, Tamas1 aBanerjee, Rahul uhttps://library.ncl.res.in/content/high-charge-carrier-mobility-two-dimensional-indium-iii-isophthalic-acid-based-frameworks-001776nas a2200193 4500008004100000022001400041245011300055210006900168260007300237300001200310490000800322520100800330653001901338653002101357653002401378100002801402700002501430856012701455 2014 eng d a0304-885300aHigh magnetostriction parameters for low-temperature sintered cobalt ferrite obtained by two-stage sintering0 aHigh magnetostriction parameters for lowtemperature sintered cob aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcDEC a121-1290 v3713 a

From the studies on the magnetostriction characteristics of two-stage sintered polycrystalline CoFe2O4 made from nanocrystalline powders, it is found that two-stage sintering at low temperatures is very effective for enhancing the density and for attaining higher magnetostriction coefficient. Magnetostriction coefficient and strain derivative are further enhanced by magnetic field annealing and relatively larger enhancement in the magnetostriction parameters is obtained for the samples sintered at lower temperatures, after magnetic annealing, despite the fact that samples sintered at higher temperatures show larger magnetostriction coefficients before annealing. A high magnetostriction coefficient of similar to 380 ppm is obtained after field annealing for the sample sintered at 1100 degrees C, below a magnetic field of 400 kA/m, which is the highest value so far reported at low magnetic fields for sintered polycrystalline cobalt ferrite. (C) 2014 Elsevier B.V. All rights reserved.

10aCobalt ferrite10aMagnetostriction10aTwo-stage sintering1 aMohaideen, Kamal, Khaja1 aJoy, Pattayil, Alias uhttps://library.ncl.res.in/content/high-magnetostriction-parameters-low-temperature-sintered-cobalt-ferrite-obtained-two-002050nas a2200193 4500008004100000022001400041245011700055210006900172260011000241300001600351490000700367520124200374100001901616700001801635700002201653700002401675700002501699856013201724 2014 eng d a1463-907600aHigh performance all-organic flexural piezo-FET and nanogenerator via nanoscale soft-interface strain modulation0 aHigh performance allorganic flexural piezoFET and nanogenerator  aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcSEP a22874-228810 v163 a

Flexural strain fields are encountered in a wide variety of situations and invite novel device designs for their effective use in sensing, actuating, as well as energy harvesting (nanogenerator) applications. In this work we demonstrate an interesting all-organic device design comprising an electrospun P(VDF-TrFE) fiber-mat built directly on a conducting PANI film, which is also grown on a flexible PET substrate, for flexural piezo-FET and nanogenerator applications. Orders of magnitude stronger modulation of electrical transport in PANI film is realized in this device as compared to the case of a similar device but with a uniform spin-coated P(VDF-TrFE) film. We find that in the flexural mode of operation, the interaction between the laterally modulated nanoscale strain field distributions created by the fibers and the applied coherent strain field strongly influences the carrier transport in PANI. The transport modulation is suggested to occur due to strain-induced conformational changes in P(VDF-TrFE) leading to changes in carrier localization-delocalization. We further show that the fiber-mat based device system also works as an efficient nanogenerator capable of delivering power for low power applications.

1 aDhakras, Dipti1 aGawli, Yogesh1 aChhatre, Shraddha1 aWadgaonkar, Prakash1 aOgale, Satishchandra uhttps://library.ncl.res.in/content/high-performance-all-organic-flexural-piezo-fet-and-nanogenerator-nanoscale-soft-interface-001812nas a2200349 4500008004100000022001400041245014800055210006900203260007700272300001600349490000700365520060800372653001600980653002200996653001501018653001901033653002201052100001701074700002101091700001501112700002401127700002401151700002101175700002201196700002101218700002701239700002201266700002201288700001901310700001601329856011701345 2014 eng d a0947-653900aHighly efficient chiral resolution of DL-arginine by cocrystal formation followed by recrystallization under preferential-enrichment conditions0 aHighly efficient chiral resolution of DLarginine by cocrystal fo aBOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANYbWILEY-V C H VERLAG GMBHcAUG a10343-103500 v203 a

An excellent chiral symmetry-breaking spontaneous enantiomeric resolution phenomenon, denoted preferential enrichment, was observed on recrystallization of the 1:1 cocrystal of dl-arginine and fumaric acid, which is classified as a racemic compound crystal with a high eutectic ee value (>95%), under non-equilibrium crystallization conditions. On the basis of temperature-controlled video microscopy and in situ time-resolved solid-state (CNMR)-C-13 spectroscopic studies on the crystallization process, a new mechanism of phase transition that can induce preferential enrichment is proposed.

10aAmino acids10achiral resolution10acocrystals10aCrystal growth10aphase transitions1 aIwama, Sekai1 aKuyama, Kazunori1 aMori, Yuko1 aManoj, Kochunnoonny1 aGonnade, Rajesh, G.1 aSuzuki, Katsuaki1 aHughes, Colan, E.1 aWilliams, Andrew1 aHarris, Kenneth, D. M.1 aVeesler, Stephane1 aTakahashi, Hiroki1 aTsue, Hirohito1 aTamura, Rui uhttps://library.ncl.res.in/content/highly-efficient-chiral-resolution-dl-arginine-cocrystal-formation-followed-001444nas a2200193 4500008004100000022001400041245026000055210006900315260011000384300001400494490000600508520048100514100003100995700002701026700002401053700002401077700001901101856013001120 2014 eng d a2046-206900aHighly efficient one-pot multi-component synthesis of alpha-aminophosphonates and bis-alpha-aminophosphonates catalyzed by heterogeneous reusable silica supported dodecatungstophosphoric acid (DTP/SiO2) at ambient temperature and their antitubercular eval0 aHighly efficient onepot multicomponent synthesis of alphaaminoph aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcJAN a7666-76720 v43 a

A highly efficient one-pot multi-component reaction (MCR) protocol over DTP/SiO2 has been developed for the synthesis of alpha-aminophosphonate derivatives (4a-x) in excellent yields. The alpha-aminophosphonate derivatives were for the first time evaluated for their antitubercular activity against the M. tuberculosis H37Ra (MTB) strain. An evaluation of the data on the cytotoxicity and antimicrobial activity shows that 4n and 4v are promising antitubercular agents.

1 aMulla, Shafeek, Abdul Rash1 aPathan, Mohsinkhan, Y.1 aChavan, Santosh, S.1 aGample, Suvarna, P.1 aSarkar, Dhiman uhttps://library.ncl.res.in/content/highly-efficient-one-pot-multi-component-synthesis-alpha-aminophosphonates-and-bis-alpha-001494nas a2200253 4500008004100000022001400041245016900055210006900224260010600293300001400399490000700413520047800420653001300898653002000911653002500931653001700956653001700973653001800990100002601008700002101034700003101055700003001086856012401116 2014 eng d a0040-403900aHighly regioselective C4-hydrazinylation of 2,4-dichloroquinolines: expedient synthesis of aminoquinoline substituted pyrrolidin-2,5-diones via hydrazinylquinolines0 aHighly regioselective C4hydrazinylation of 24dichloroquinolines  aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcJUL a4240-42440 v553 a

A new class of hydrazinylquinoline regio-isomers has been synthesized through SNAr reaction of 2,4-dichloroquinolines with hydrazine hydrate. The reaction stops at the mono-substitution product with high regioselectivity at the C-4 rather than C-2 position of dichloroquinolines. The hydrazinylquinolines were subsequently converted into aminoquinoline substituted pyrrolidin-2,5-diones in the presence of Eaton's reagent. (C) 2014 Elsevier Ltd. All rights reserved.

10a5-diones10aEaton's reagent10aHydrazinylquinolines10aPyrrolidin-210aRegioisomers10aSNAr reaction1 aKumar, Gopal, Senthil1 aZeller, Matthias1 aGonnade, Rajesh, Ghanshyam1 aPrasad, Kamam, Jayarampil uhttps://library.ncl.res.in/content/highly-regioselective-c4-hydrazinylation-24-dichloroquinolines-expedient-synthesis-000786nas a2200181 4500008004100000022001400041245011800055210006900173260011000242300001400352490000700366520001900373100002100392700002400413700002200437700002000459856012500479 2014 eng d a1359-734500aHighly stable covalent organic framework-Au nanoparticles hybrids for enhanced activity for nitrophenol reduction0 aHighly stable covalent organic frameworkAu nanoparticles hybrids aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcJAN a3169-31720 v503 a

{Gold [

1 aPachfule, Pradip1 aKandambeth, Sharath1 aDiaz, David, Diaz1 aBanerjee, Rahul uhttps://library.ncl.res.in/content/highly-stable-covalent-organic-framework-au-nanoparticles-hybrids-enhanced-activity-001888nas a2200265 4500008004100000022001400041245008700055210006900142260007100211300001600282490000600298520096500304653003001269653002301299653002001322653001701342653002001359653001701379100002001396700002101416700002601437700001801463700002501481856011601506 2014 eng d a1944-824400aHollow Co0.85Se nanowire array on carbon fiber paper for high rate pseudocapacitor0 aHollow Co085Se nanowire array on carbon fiber paper for high rat a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcNOV a18844-188520 v63 a

A supercapacitor electrode is fabricated with Co0.85Se hollow nanowires (HNW) array, which is synthesized by wet chemical hydrothermal selenization of initially grown cobalt hydroxyl carbonate nanowires on conductive CFP. The dense self-organized morphology of Co0.85Se HNWs is revealed by scanning/transmission electron microscopy. The as-synthesized Co0.85Se HNWs possess high pseudocapacitive property with high capacitance retention and high durability. The areal capacitance value is seen to vary from 929.5 to 600 mF cm(-2) (60% retention) as the current density is increased from 1 to 15 mA cm(-2), an increase of a factor of 15. Based on mass loading, this corresponds to a very high gravimetric capacitance of 674 (for 2 mA cm(-2) or 1.48 Ag-1) and 444 Fg(1-) (for 15 mA cm(-2) or 11 A g(-1)) in a full-cell configuration with the Co0.85Se HNWs as cathode and activated carbon as anode (asymmetric configuration) promising results are obtained.

10aasymmetric supercapacitor10acarbon fiber paper10acobalt selenide10ahydrothermal10apseudocapacitor10aselenization1 aBanerjee, Abhik1 aBhatnagar, Sumit1 aUpadhyay, Kush, Kumar1 aYadav, Prasad1 aOgale, Satishchandra uhttps://library.ncl.res.in/content/hollow-co085se-nanowire-array-carbon-fiber-paper-high-rate-pseudocapacitor-001618nas a2200205 4500008004100000022001400041245010700055210006900162260007100231300001600302490000800318520083300326100002101159700002401180700002201204700002201226700002201248700002001270856012201290 2014 eng d a0002-786300aHomogeneous photochemical water oxidation by biuret-modified Fe-TAML: evidence of Fe-V(O) intermediate0 aHomogeneous photochemical water oxidation by biuretmodified FeTA a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcSEP a12273-122820 v1363 a

{Water splitting, leading to hydrogen and oxygen in a process that mimics natural photosynthesis, is extremely important for devising a sustainable solar energy conversion system. Development of earth-abundant, transition metal-based catalysts that mimic the oxygen-evolving complex of photosystem II, which is involved in oxidation of water to O-2 during natural photosynthesis, represents a major challenge. Further, understanding the exact mechanism, including elucidation of the role of active metal-oxo intermediates during water oxidation (WO), is critical to the development of more efficient catalysts. Herein, we report Fe-III complexes of biuret-modified tetra-amidomacrocyclic ligands (Fe-TAML; 1a and 1b) that catalyze fast, homogeneous, photochemical WO to give OD with moderate efficiency (maximum TON = 220

1 aPanda, Chakadola1 aDebgupta, Joyashish1 aDiaz, David, Diaz1 aSingh, Kundan, K.1 aGupta, Sayam, Sen1 aDhar, Basab, B. uhttps://library.ncl.res.in/content/homogeneous-photochemical-water-oxidation-biuret-modified-fe-taml-evidence-fe-vo-001000nas a2200193 4500008004100000022001400041245012500055210006900180260030400249300000900553490000700562100001400569700001700583700001800600700002000618700002800638700001700666856012300683 2014 eng d a0949-825700aHomogeneous water oxidation using peroxidase mimic [Fe-III(biuret-amide)] and analyte detection via signal amplification0 aHomogeneous water oxidation using peroxidase mimic FeIIIbiuretam a233 SPRING ST, NEW YORK, NY 10013 USAbInt Organizing Comm; Natl Organizing Comm; SBIC; Veolia Environm; Arcane; Grenoble Innovat Adv New Technologies; LOREAL; Soc Chimique France; CEA, Life Sci Div; SHIMADZU; High Tech Mat; CEA, Div Matter Sci; IFP Energies Nouvelles; Univ Joseph Fourier; SprcMAR aS5570 v191 aPanda, C.1 aDhar, B., B.1 aGhosh, Munmun1 aMalvi, Bharmana1 aBhattacharjee, Yudhajit1 aSengupta, S. uhttps://library.ncl.res.in/content/homogeneous-water-oxidation-using-peroxidase-mimic-fe-iiibiuret-amide-and-analyte-002357nas a2200241 4500008004100000022001400041245010200055210006900157260006900226300001200295490000800307520148900315653002301804653003001827653002001857653003301877653000801910100001901918700002001937700001801957700001801975856012201993 2014 eng d a0925-400500aHumidity-sensing studies of cerium oxide nanoparticles synthesizedby non-isothermal precipitation0 aHumiditysensing studies of cerium oxide nanoparticles synthesize aPO BOX 564, 1001 LAUSANNE, SWITZERLANDbELSEVIER SCIENCE SAcNOV a229-2380 v2033 a

We report the fabrication of a highly sensitive and fast humidity sensor based on cerium oxide (CeO2) nanoparticles, which were prepared at low cost via a simple non-isothermal precipitation method. The asprepared CeO2 nanoparticles were characterized by X-ray diffraction (XRD), Fourier transform infrared (FTIR) spectroscopy, X-ray photoelectron spectroscopy (XPS) and transmission electron microscopy( TEM) and the results indicated the formation of face centered cubic phase of CeO2 with average crystallite size of approximately 10-12 nm. Humidity sensors based on CeO2 nanoparticles exhibit high and linear response within the whole relative humidity (RH) range of 11-97% at an operating frequency of 60 Hz. The corresponding impedance changes by approximately three orders of magnitude within the entire humidity range from 11% to 97% RH. The response and recovery times are about 2-3 and 9-10 s, respectively, when RH was switched between 11% and 97%. Furthermore, the sensors also show relatively small hysteresis, excellent reproducibility, long term stability and broad range of operation (11-97% RH). The complex impedance spectra of the sensor at different RHs and the equivalent circuit were analyzed to explore the humidity-sensing mechanism. This study demonstrates that the CeO2 nanoparticles prepared by non-precipitation method can be used as the humidity-sensing material for the fabrication of humidity sensors. (C) 2014 Elsevier B. V. All rights reserved.

10aCeO2 nanoparticles10aComplex impedance spectra10ahumidity sensor10aNon-isothermal precipitation10aTEM1 aKhadse, V., R.1 aThakur, Sharada1 aPatil, K., R.1 aPatil, Pradip uhttps://library.ncl.res.in/content/humidity-sensing-studies-cerium-oxide-nanoparticles-synthesizedby-non-isothermal-001675nas a2200229 4500008004100000022001400041245008100055210006900136260006900205300000900274490000800283520084100291653003201132653002701164653002501191653002501216653001201241100002401253700003001277700002301307856011501330 2014 eng d a0010-854500aHybrid diphosphorus ligands in rhodium catalysed asymmetric hydroformylation0 aHybrid diphosphorus ligands in rhodium catalysed asymmetric hydr aPO BOX 564, 1001 LAUSANNE, SWITZERLANDbELSEVIER SCIENCE SAcMAR a1-150 v2623 a

This review aims to illustrate recent advances in the application of hybrid diphosphorus ligands for the Rh catalysed hydroformylation of alkenes, discussing the most prevalent classes of hybrid systems, i.e. phosphine-phosphinite, phosphine-phosphonite, phosphine-phosphite, phosphite-phosphoramidite and phosphite-phosphoramidite and comparing their performance with relevant C-2 symmetric counterparts. In order to introduce the field and put the results in context, a short overview on Rh hydroformylation is provided. Available spectroscopic (in situ) data on the coordination modes of hybrid phosphorus ligands and the catalytic performance of these systems in asymmetric hydroformylation of vinyl arenes are reported. Potential avenues for future research are shortly discussed. (C) 2013 Elsevier B.V. All rights reserved.

10aAsymmetric hydroformylation10aCatalyst resting state10aHybrid ligand design10aIn situ spectroscopy10aRhodium1 aChikkali, Samir, H.1 avan der Vlugt, Jarl, Ivar1 aReek, Joost, N. H. uhttps://library.ncl.res.in/content/hybrid-diphosphorus-ligands-rhodium-catalysed-asymmetric-hydroformylation-001933nas a2200157 4500008004100000022001400041245011000055210006900165260007100234300001600305490000800321520128500329100001701614700001601631856012801647 2014 eng d a1932-744700aHydrogen atom chemisorbed gold clusters as highly active catalysts for oxygen activation and co oxidation0 aHydrogen atom chemisorbed gold clusters as highly active catalys a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcDEC a30057-300620 v1183 a

Using oxygen activation and carbon monoxide oxidation as a probe, we have carried out density functional theory (DFT) calculations to investigate the effect of hydrogen atom chemisorption on the reactivity and catalytic activity of gold nanoclusters. In the present work, we particularly focus on the closed shell neutral Au-n (n = 2, 4, 6, 8) gold clusters which are reported to be chemically inert and catalytically less active. The results confirm that the hydrogen atom chemisorption activates the inert clusters, thereby leading to enhanced binding and activation of the O-2 molecule. A significant amount of increase in the O-O and decrease in the Au-O bond lengths together with a pertinent red shift in the O-O stretching frequencies clearly indicates the stronger binding and activation of oxygen molecule in the case of AunH clusters. Further, our results reveal that the hydrogen atom chemisorbed gold clusters are catalytically more active with low activation barriers for the CO oxidation reaction compared to the parent less active closed shell gold clusters. Thus, in short the current theoretical observation provides key inputs for enhancing the reactivity and catalytic activity of inert gold clusters through the adsorption of a small atom or a molecule.

1 aManzoor, Dar1 aPal, Sourav uhttps://library.ncl.res.in/content/hydrogen-atom-chemisorbed-gold-clusters-highly-active-catalysts-oxygen-activation-and-co02517nas a2200193 4500008004100000245018100041210006900222260000800291300001600299490000800315520173800323100002302061700002202084700001902106700002602125700002302151700001702174856013202191 2014 eng d00aHydrogen bonding interaction between active methylene hydrogen atoms and an anion as a binding motif for anion recognition: experimental studies and theoretical rationalization0 aHydrogen bonding interaction between active methylene hydrogen a cMAR a2656–26660 v1183 a

Two new reagents, having similar spatial arrangements for hydrogen atoms of the active methylene functionalities, were synthesized and interactions of such reagents with different anionic analytes were studied using electronic spectroscopy as well as by using 1H and 31P NMR spectroscopic methods. Experimental studies revealed that these two reagents showed preference for binding to F– and OAc–. Detailed theoretical studies along with the above-mentioned spectroscopic studies were carried out to understand the contribution of the positively charged phosphonium ion, along with methylene functionality, in achieving the observed preference of these two receptors for binding to F– and OAc–. Observed differences in the binding affinities of these two reagents toward fluoride and acetate ions also reflected the role of acidity of such methylene hydrogen atoms in controlling the efficiencies of the hydrogen bonding in anion–Hmethylene interactions. Hydrogen bonding interactions at lower concentrations of these two anionic analytes and deprotonation equilibrium at higher concentration were observed with associated electronic spectral changes as well as visually detectable change in solution color, an observation that is generally common for other strong hydrogen bond donor functionalities like urea and thiourea. DFT calculations performed with the M06/6-31+G**//M05-2X/6-31G* level of theory showed that F– binds more strongly than OAc– with the reagent molecules. The deprotonation of methylene hydrogen atom of receptors with F– ion was observed computationally. The metal complex as reagent showed even stronger binding energies with these analytes, which corroborated the experimental results.

1 aAgarwalla, Hridesh1 aJana, Kalyanashis1 aMaity, Arunava1 aKesharwani, Manoj, K.1 aGanguly, Bishwajit1 aDas, Amitava uhttps://library.ncl.res.in/content/hydrogen-bonding-interaction-between-active-methylene-hydrogen-atoms-and-anion-binding-motif02186nas a2200241 4500008004100000022001400041245009100055210006900146260009900215300001200314490000800326520131600334653001501650653001701665653002201682653002101704653001401725653002101739100002901760700001901789700001901808856011701827 2014 eng d a0306-261900aHydrogen storage in clathrate hydrates: Current state of the art and future directions0 aHydrogen storage in clathrate hydrates Current state of the art  aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLANDbELSEVIER SCI LTDcJUN a112-1320 v1223 a

Hydrogen is looked upon as the next generation clean energy carrier, search for an efficient material and method for storing hydrogen has been pursued relentlessly. Improving hydrogen storage capacity to meet DOE targets has been challenging and research efforts are continuously put forth to achieve the set targets and to make hydrogen storage a commercially realizable process. This review comprehensively summarizes the state of the art experimental work conducted on the storage of hydrogen as hydrogen clathrates both at the molecular level and macroscopic level. It identifies future directions and challenges for this exciting area of research. Hydrogen storage capacities of different clathrate structures - sI, sII, sH, sVI and semi clathrates have been compiled and presented. In addition, promising new approaches for increasing hydrogen storage capacity have been described. Future directions for achieving increased hydrogen storage and process scale up have been outlined. Despite few limitations in storing hydrogen in the form of clathrates, this domain receives prominent attention due to more environmental-friendly method of synthesis, easy recovery of molecular hydrogen with minimum energy requirement, and improved safety of the process. (C) 2014 Elsevier Ltd. All rights reserved.

10aClathrates10aGas hydrates10aHydrogen hydrates10aHydrogen storage10aPromoters10aStorage capacity1 aVeluswamy, Hari, Prakash1 aKumar, Rajnish1 aLinga, Praveen uhttps://library.ncl.res.in/content/hydrogen-storage-clathrate-hydrates-current-state-art-and-future-directions-002120nas a2200289 4500008004100000020004100041022001400082245007300096210006900169260026000238300001000498490000700508520099400515653001101509653001901520653001101539653001301550653001801563653002901581653002101610653001401631100002501645700002001670700001601690700002001706856010401726 2014 eng d a978-3-319-08482-4; 978-3-319-08481-7 a1436-600200aHydrogenation of polar bonds catalysed by ruthenium-pincer complexes0 aHydrogenation of polar bonds catalysed by rutheniumpincer comple aHEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANYbIEEE Commun Soc; IEEE Syst Man & Cybernet Soc; Galgotias Coll Engn & Technol; Hochschule Offenburg Univ Appl Sci; Int Neural Network Soc; India Chapter & Res Publishing Serv; Madhyam; WizIQ; ICACCI; IEEEcMAR a19-430 v483 a

Catalytic hydrogenation of polar bonds using molecular hydrogen is an important, atom-economical synthetic reaction. Classical reduction methods of polar bond often require reactive metal-hydride reagents in stoichiometric amount and produce copious waste. Hydrogenation of carbonyl compounds in particular provides `green' approaches to synthetically important building blocks, such as alcohols and amines. We have designed and synthesized several ruthenium-based pincer catalysts for unprecedented hydrogenation reactions including: (1) amides to alcohols and amines, (2) biomass-derived di-esters to 1,2-diols and (3) CO2 and CO derivatives to methanol. These atom-economical reactions operate under neutral, homogeneous conditions, at mild temperatures, mild hydrogen pressures, and can operate in absence of solvent with no generation of waste. The postulated mechanisms involve metal-ligand cooperation (MLC) by aromatization-dearomatization of the heteroaromatic pincer core.

10aAmides10aCarbon dioxide10aEsters10aHydrogen10aHydrogenation10aMetal-ligand cooperation10aPincer complexes10aruthenium1 aBalaraman, Ekambaram1 aMilstein, David1 aBruneau, C.1 aDixneuf, P., H. uhttps://library.ncl.res.in/content/hydrogenation-polar-bonds-catalysed-ruthenium-pincer-complexes-001011nas a2200133 4500008004100000245003800041210003800079300001100117490000700128520062200135100002200757700002500779856007300804 2014 eng d00aHydrophobically Modified Chitosan0 aHydrophobically Modified Chitosan a91-1020 v193 a

Hydrophobically modified chitosan was prepared using the hydrophobic compound derived from natural resource material such as cashew nut shell liquid. Chitosan was modified using 3-pentadecyl cyclohexane carbaldehyde to different extents (2, 3, and 5 mol%). Solution properties of hydrophobically modified chitosan were studied by rheology and light scattering. These indicated the aggregation behavior above the critical association concentration. Further, it was concluded that above the critical association concentration, the dynamics of the network formed due to the associations slowed down significantly.

1 aShedge, Aarti, S.1 aBadiger, Manohar, V. uhttps://library.ncl.res.in/content/hydrophobically-modified-chitosan01596nas a2200229 4500008004100000022001400041245005800055210005800113260006700171300001400238490000700252520084100259653003901100653001801139653001101157653001701168653001801185100002501203700002401228700002201252856009201274 2015 eng d a0008-403400aHeat transfer and mixing in flow through pinched pipe0 aHeat transfer and mixing in flow through pinched pipe a111 RIVER ST, HOBOKEN 07030-5774, NJ USAbWILEY-BLACKWELLcOCT a1860-18680 v933 a

There is an increasing trend of using tubular reactors either with passive or active augmentation methods for process intensification. A new passive method with pinching of pipe' is proposed and investigated for its performance. In the present work, initially, flow in a pinched pipe was studied experimentally and the same was reproduced numerically. The computational model was then used to investigate influences of key geometrical parameters of pinched pipe configuration on pressure drop, heat transfer, and mixing. The simulated results obtained with the pinched pipe were compared with a straight pipe, and with a commonly-used passive augmentation method (twisted tape inserts). The pinched pipe configuration offers better performance and more flexibility in manipulating heat transfer and mixing in intensified devices.

10acomputational fluid dynamics (CFD)10aheat transfer10amixing10apinched pipe10apressure drop1 aHasabnis, Nilesh, S.1 aTotlani, Kartik, A.1 aRanade, Vivek, V. uhttps://library.ncl.res.in/content/heat-transfer-and-mixing-flow-through-pinched-pipe-001871nas a2200193 4500008004100000022001400041245013000055210006900185260011000254300001200364490000700376520105800383100002301441700002301464700002201487700002301509700001801532856012701550 2015 eng d a1463-926200aHeterogeneously catalyzed strategies for the deconstruction of high density polyethylene: plastic waste valorisation to fuels0 aHeterogeneously catalyzed strategies for the deconstruction of h aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcOCT a146-1560 v173 a

The plastic industry generates enormous quantities of plastics at projected rates (both production and consumption) which can significantly threaten our environment in terms of plastic waste generation. High density polyethylene (HDPE) is one of the main fractions of municipal solid waste which has a remarkable potential to be valorised into fuels (e.g. bio-oils). Catalytic degradation is an innovative alternative process to transform plastic waste into such value added products. This mini review was aimed to discuss the most relevant and recent catalysts developed for the catalytic degradation of HDPE including metal oxides, sulphated metal oxides, zeolites, nanostructured zeolites, molecular sieves, fluid catalytic cracking (FCC) catalysts, metal carbonates and mesoporous materials for the production of chemicals and fuels (e.g. diesel and gasolines). Activities and selectivities as well as important effects of additives, particle size, catalyst to polymer ratios and also recent approaches for waste management will be discussed.

1 aBurange, Anand, S.1 aGawande, Manoj, B.1 aLam, Frank, L. Y.1 aJayaram, Radha, V.1 aLuque, Rafael uhttps://library.ncl.res.in/content/heterogeneously-catalyzed-strategies-deconstruction-high-density-polyethylene-plastic-002281nas a2200241 4500008004100000022001400041245010900055210006900164260011000233300001600343490000600359520132700365100002301692700002201715700002501737700002801762700002701790700002601817700002101843700002301864700002101887856013101908 2015 eng d a2046-206900aHierarchical CdS nanostructure by Lawesson's reagent and its enhanced photocatalytic hydrogen production0 aHierarchical CdS nanostructure by Lawessons reagent and its enha aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcJAN a13715-137210 v53 a

Lawesson's reagent (LR) has been effectively exploited for the synthesis of hierarchical architectures of cadmium sulphide (CdS) nanostructures for the first time. The X-ray diffractograms of the as synthesised CdS nanostructures confirm the formation of hexagonal CdS. The broadness of the XRD peaks clearly indicates the nanocrystalline nature of CdS with average crystallite size of 4 nm. A FESEM study revealed the formation of hierarchical nanostructures, whereas a TEM study showed that the hierarchical arrangement is composed of nanosized CdS particles. A band-gap i.e. 2.4 eV was derived from diffuse reflectance spectroscopy. The photoluminescence spectrum showed an emission peak at 535 and 568 nm which can be attributed to band-edge emission and surface emissions or possible metal vacancies, respectively. Considering the band-gap within the visible region, the photocatalytic hydrogen evolution performance of these CdS nanostructures was performed under visible light irradiation from hydrogen sulphide and water, respectively. Utmost hydrogen evolution i.e. 14 136 mu mol h(-1) g(-1) and 2065 mu mol h(-1) g(-1) was observed over a naked CdS nanostructure via H2S and water decomposition, respectively. The amount of hydrogen obtained by H2S splitting is much higher as compared to earlier reports.

1 aPandit, Vikram, U.1 aArbuj, Sudhir, S.1 aHawaldar, Ranjit, R.1 aKshirsagar, Pradnya, V.1 aDeshmukh, Amarsinh, J.1 aAmbekar, Jalindar, D.1 aMulik, Uttam, P.1 aGosavi, Suresh, W.1 aKale, Bharat, B. uhttps://library.ncl.res.in/content/hierarchical-cds-nanostructure-lawessons-reagent-and-its-enhanced-photocatalytic-hydrogen-001331nas a2200169 4500008004100000022001400041245016100055210006900216260005700285300001200342490000700354520061000361100001700971700002800988700001601016856012901032 2015 eng d a0170-083900aHigh molecular weight polylactic acids by polyesterification using diisopropylcarbodiimide (DIPC) and 4-(dimethylamino) pyridinium ptoluene sulfonate (DPTS)0 aHigh molecular weight polylactic acids by polyesterification usi a233 SPRING ST, NEW YORK, NY 10013 USAbSPRINGERcMAR a405-4150 v723 a

High molecular weight poly(l-lactic acid) has been prepared from the corresponding functionally terminated oligomers employing a polyesterification method at room temperature using diisopropylcarbodiimide and 4-(dimethylamino) pyridinium-p-toluene sulfonate. Self-condensation of hydroxyl and carboxylic acid-terminated poly(l-lactic acid) oligomers (M (n) : similar to 1,000) resulted in polymers with high molecular weights (M (n) > 45,000) under mild conditions. End-group analysis by MALDI-TOF provided evidence for N-acylurea formation in the product under the reaction conditions employed.

1 aShyamroy, S.1 aGarnaik, Baijayantimala1 aSivaram, S. uhttps://library.ncl.res.in/content/high-molecular-weight-polylactic-acids-polyesterification-using-diisopropylcarbodiimide-001544nas a2200181 4500008004100000022001400041245007800055210006900133260007400202300001600276490000700292520085700299100002201156700002301178700002201201700002401223856011501247 2015 eng d a0957-452200aHigh performance single crystalline PbWO4 nanorod field effect transistor0 aHigh performance single crystalline PbWO4 nanorod field effect t aVAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDSbSPRINGERcDEC a10044-100480 v263 a

The highly crystalline PbWO4 nanorods were synthesized using simple co-precipitation method which has application in field effect transistor. The synthesized PbWO4 nanorods were characterized by XRD, Raman spectroscopy, TEM and HRTEM indicating highly crystalline nature. Field effect transistor was fabricated on pre-patterned 300 nm SiO2/Si substrates using photolithography technique with channel length 1 A mu m and width 20 A mu m. Thin film (similar to 100 nm) was made up of PbWO4 nanorods by spin coating on the pre-patterned device used as channel layer. The field effect mobility was observed to be 4.7 cm(2) V-1 s(-1) and I-ON/OFF ratio similar to 10(3) which is far better than the organic molecules due to single crystalline nature and rod like morphology of the PbWO4 providing direct path for charges to transport towards channel.

1 aWalke, Pravin, S.1 aPatil, Vandana, B.1 aMulla, Imtiaz, S.1 aLate, Dattatray, J. uhttps://library.ncl.res.in/content/high-performance-single-crystalline-pbwo4-nanorod-field-effect-transistor-000800nas a2200193 4500008004100000245016600041210006900207260000800276300001200284490000600296100002200302700002700324700002300351700002000374700002400394700002800418700002900446856013100475 2015 eng d00aHigh surface area porous carbon for ultracapacitor application by pyrolysis of polystyrene containing pendant carboxylic acid groups prepared via click chemistry0 aHigh surface area porous carbon for ultracapacitor application b cSEP a166-1750 v41 aChhatre, Shraddha1 aAravindan, Vanchiappan1 aPuthusseri, Dhanya1 aBanerjee, Abhik1 aMadhavi, Srinivasan1 aWadgaonkar, Prakash, P.1 aOgale, Satishchandra, B. uhttps://library.ncl.res.in/content/high-surface-area-porous-carbon-ultracapacitor-application-pyrolysis-polystyrene-containing01370nas a2200145 4500008004100000245011400041210006900155260009000224520069800314100001801012700001901030700002601049700001901075856013001094 2015 eng d00aHigh throughput screening of inhibitors for tuberculosis at NCL : a novel drug discovery initiative from CSIR0 aHigh throughput screening of inhibitors for tuberculosis at NCL  aCSIR-National Chemical Laboratory, PunebCSIR-National Chemical Laboratory, PunecSEP3 a

Discover and develop novel drugs that are effective at curing latent, drug sensitive and drug resistant TB Study the biology of tuberculosis bacilli in great detail to identify new metabolic pathways that may be vulnerable to drugs Test thousands of potential drugs in our screening facility to find new compounds or new compound classes that kill TB bacteria Increase throughput up to 20,000 compounds at a time Develop novel screens using conditions that mimic those the TB bacteria encounters in the human body Utilize medical chemistry to optimize the structures of compounds so that they kill TB bacteria in a more potent fashion and are non-toxic Meet the challenges from industry

1 aManek, Hardik1 aNawale, Laxman1 aJadhav, Nandadeep, J.1 aSarkar, Dhiman uhttps://library.ncl.res.in/content/high-throughput-screening-inhibitors-tuberculosis-ncl-novel-drug-discovery-initiative-csir01616nas a2200229 4500008004100000022001400041245008700055210006900142260007300211300001000284490000800294520075200302653002201054653002901076653003701105653002401142653001801166653004401184100002101228700001701249856012001266 2015 eng d a1381-116900aHighly active and reusable ternary oxide catalyst for dialkyl carbonates synthesis0 aHighly active and reusable ternary oxide catalyst for dialkyl ca aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcMAR a42-490 v3983 a

The application of ternary oxides, prepared through calcination of rare-earth modified Mg/Al-hydrotalcite (HT), as highly active, selective, and reusable solid catalysts for dialkyl carbonates synthesis by transesterification reaction is reported. Dimethyl carbonate, for example, was prepared by reacting ethylene carbonate with methanol in 100 mol% selectivity at a yield of 95 mol%. Among several rare-earth modified precursors, La (10 mol%)-HT showed the highest activity. This catalyst was active even at ambient conditions. Basicity of the catalyst played crucial role on its performance. The activity of these catalysts was superior to the hitherto known solid catalysts for this reaction. (C) 2014 Elsevier B.V. All rights reserved.

10aDialkyl carbonate10aDimethyl carbonate (DMC)10aRare-earth modified hydrotalcite10aSolid base catalyst10aTernary oxide10aTransesterification of cyclic carbonate1 aUnnikrishnan, P.1 aSrinivas, D. uhttps://library.ncl.res.in/content/highly-active-and-reusable-ternary-oxide-catalyst-dialkyl-carbonates-synthesis-002095nas a2200217 4500008004100000022001400041245017100055210006900226260011000295300001400405490000700419520116900426100002501595700002001620700002001640700002301660700002201683700002101705700002601726856012501752 2015 eng d a1463-926200aHighly efficient regioselective synthesis of pyrroles via a tandem enamine formation-Michael addition-cyclization sequence under catalyst- and solvent-free conditions0 aHighly efficient regioselective synthesis of pyrroles via a tand aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcAPR a3415-34230 v173 a

A convenient catalyst-free, three-component procedure was developed for the synthesis of tetrasubstituted pyrroles under solvent-free conditions and in green solvents glycerol, PEG-200 and water. A sequential enamine-formation, Michael addition and intramolecular cyclization of primary amines, 1,3-dicarbonyl compounds and isatin-derived Michael acceptors afforded 3-(1H-pyrrol-3-yl)indolin-2-ones in excellent yields. In this simple one-pot transformation the requirement of column chromatography purification of the products was completely avoided. Besides, the method is highly environmentally benign and atom-economical, and the only side product of this reaction was two molecules of water. A comparative study for the four developed conditions showed that the solvent-free conditions were superior regardless of the nature of the starting materials, and the green solvents were effective for alkyl and benzylamines affording higher yields compared to arylamines. The preliminary in vitro cytotoxic studies of a representative compound against Ehrlich's ascites carcinoma (EAC) tumor cells showed significant activity with a CTC50 value of 15.64 mu M.

1 aVivekanand, Thavaraj1 aVinoth, Perumal1 aAgieshkumar, B.1 aSampath, Natarajan1 aSudalai, Arumugam1 aMenendez, Carlos1 aSridharan, Vellaisamy uhttps://library.ncl.res.in/content/highly-efficient-regioselective-synthesis-pyrroles-tandem-enamine-formation-michael-001707nas a2200169 4500008004100000022001400041245016900055210006900224260011000293300001400403490000600417520091300423100002201336700002201358700002901380856012801409 2015 eng d a2044-475300aHighly efficient triphenyl(3-sulfopropyl)phosphonium functionalized phosphotungstic acid on silica as a solid acid catalyst for selective mono-allylation of acetals0 aHighly efficient triphenyl3sulfopropylphosphonium functionalized aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcMAY a4039-40470 v53 a

Silica supported phosphotungstic acid functionalized with triphenyl(3-sulfopropyl)phosphonium (PW-Si/TPSP) was developed as a solid acid catalyst for C-C bond formation via Hosomi-Sakurai allylation of acetals. Functionalization of PW as well as its binding to silica was confirmed by solid state P-31-NMR and Si-29-NMR, respectively. Among the various catalysts prepared, the 30% PW loaded (30PW-Si/TPSP) catalyst gave an excellent yield of homoallyl ethers (HAEs) via selective mono-allylation of acetals with allyltrimethylsilane. A plausible reaction pathway has also been proposed in which the strong Bronsted acid sites of 30PW-Si/TPSP play an important role in activating the acetals to form the corresponding oxonium cations. The versatility of our catalyst was demonstrated for the allylation of a wide variety of acetals while its stability was established in five successful recycling runs.

1 aKamble, Sumit, B.1 aShinde, Suhas, H.1 aRode, Chandrashekhar, V. uhttps://library.ncl.res.in/content/highly-efficient-triphenyl3-sulfopropylphosphonium-functionalized-phosphotungstic-acid-001205nas a2200229 4500008004100000022001400041245012500055210006900180260011000249300001600359490000700375520028300382100002200665700002500687700002100712700001900733700002500752700002400777700002500801700002100826856012800847 2015 eng d a1359-734500aHighly emissive organic solids with remarkably broad color tunability based on N,C-chelate, four-coordinate organoborons0 aHighly emissive organic solids with remarkably broad color tunab aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcSEP a16115-161180 v513 a

Molecular fluorophores based on N,C-chelate, four-coordinate organo-borons exhibit tunable solid-state emission colors that cover the whole visible region from blue to red. The emission color can be tuned through the substituents on either quinolines or the boron center.

1 aShaikh, Aslam, C.1 aRanade, Dnyanesh, S.1 aThorat, Shridhar1 aMaity, Arunava1 aKulkarni, Prasad, P.1 aGonnade, Rajesh, G.1 aMunshi, Parthapratim1 aPatil, Nitin, T. uhttps://library.ncl.res.in/content/highly-emissive-organic-solids-remarkably-broad-color-tunability-based-nc-chelate-four-001889nas a2200181 4500008004100000022001400041245012600055210006900181260007100250300001400321490000700335520114600342100002201488700002101510700002401531700002401555856012801579 2015 eng d a0276-733300aHighly enantioselective Pd-catalyzed synthesis of P-stereogenic supramolecular phosphines, self-assembly, and implication0 aHighly enantioselective Pdcatalyzed synthesis of Pstereogenic su a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcOCT a4802-48050 v343 a

Metal-catalyzed asymmetric addition of a secondary phosphine to an aryl halide is one of the most efficient and reliable approaches for the construction of enantiopure carbon phosphorus bonds. An isolated Pd(II) complex (5) catalyzes the carbon phosphorus coupling reaction between tolylphenylphosphine (la) and 3-iodophenylurea (2b), which proceeds with an unprecedented enantiomeric excess (ee) of 97%. The generality of the strategy has been demonstrated by preparing a small library of a new class of P-stereogenic phosphines with an in-built hydrogen bonding motif for the first time. The P-stereogenic phosphines self-assemble on a metal template via deliberately installed hydrogen-bonding motifs and mimic the bidentate ligand coordination. Interestingly, when it was employed in asymmetric hydrogenation, the supramolecular phosphine {1-(3-(phenyl(o-toly)phosphanyl)pheny)ureal} (6b) produced the corresponding hydrogenated product with the highest enantiomeric excess of 99% along with excellent conversion, demonstrating the potential of these enantioenriched P-chirogenic supramolecular phosphines in asymmetric catalysis.

1 aKoshti, Vijay, S.1 aMote, Nilesh, R.1 aGonnade, Rajesh, G.1 aChikkali, Samir, H. uhttps://library.ncl.res.in/content/highly-enantioselective-pd-catalyzed-synthesis-p-stereogenic-supramolecular-phosphines-102771nas a2200289 4500008004100000022001400041245013200055210006900187260007300256300001200329490000800341520173600349653001202085653001302097653002302110653001702133653002002150100001702170700002002187700002002207700002402227700002802251700002302279700002202302700003102324856012602355 2015 eng d a0926-337300aHighly loaded well dispersed stable Ni species in NiXMg2AlOY nanocomposites: application to hydrogen production from bioethanol0 aHighly loaded well dispersed stable Ni species in NiXMg2AlOY nan aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcMAY a485-4960 v1663 a

Inexpensive NiXMg2AlOY nanocomposites with high Ni content (Ni wt% > 40%) are developed as efficient catalysts for the sustainable hydrogen production from a mixture of ethanol and water at low temperature. The NiXMg2AlOY nanocomposites are composed of small and uniform nanoparticles (4-6 nm) of NiO, Ni-Mg-(Al)-O and/or MgO. The strong interactions existing between Ni2+ cations and Mg2+ and/or Al3+ cations either in the Ni-Mg-(Al)-O solid solution and/or at the interface of nanoparticles of NiO and/or Ni-Mg-(Al)-O make the catalyst highly active and stable. The behavior of the solids is analyzed in the presence of low and high concentrations of ethanol while maintaining a H2O/EtOH molar ratio of 3. The NiXMg2AlOY catalysts are shown to be efficient toward H-2 production between 250 and 650 degrees C. In the presence of low concentration of ethanol, on the highly loaded Ni compound (Ni12Mg2AlOY), total conversion of ethanol is obtained at 250 degrees C without formation of CO and carbon, and at 300 degrees C a H-2 yield of 3 mol moletEtOH(-1) is obtained without the formation of CO, exhibiting a remarkable stability with the time on stream even if some carbon is formed. In high concentration of ethanol, total conversion of ethanol is obtained at 450 degrees C on the highly loaded Ni compound (Ni12Mg2AlOY). In such conditions, a stable co-generation of carbon nanofibrous materials which amount increases with Ni content is also obtained. The catalytic stability is related to the type and morphology of the carbon species formed. The correlations among the catalyst properties, the catalytic performances and the characterizations are thoroughly discussed. (C) 2014 Elsevier B.V. All rights reserved.

10aEthanol10aHydrogen10aNanofibrous carbon10anickel oxide10aSteam reforming1 aFang, Wenhao1 aPaul, Sebastien1 aCapron, Mickael1 aBiradar, Ankush, V.1 aUmbarkar, Shubhangi, B.1 aDongare, Mohan, K.1 aDumeignil, Franck1 aJalowiecki-Duhamel, Louise uhttps://library.ncl.res.in/content/highly-loaded-well-dispersed-stable-ni-species-nixmg2aloy-nanocomposites-application-001458nas a2200217 4500008004100000022001400041245013200055210006900187260007500256300001400331490000600345520063000351653001200981653002000993653002101013653001801034653001201052100002201064700002401086856013001110 2015 eng d a1867-388000aHighly regioselective isomerizing hydroformylation of long-chain internal olefins catalyzed by a rhodium bis(phosphite) complex0 aHighly regioselective isomerizing hydroformylation of longchain  aPOSTFACH 101161, 69451 WEINHEIM, GERMANYbWILEY-V C H VERLAG GMBHcNOV a3468-34710 v73 a

The single-step synthesis, coordination behavior, and application of a bis(phosphite) ligand in the isomerizing hydroformylation of internal olefins was investigated. Interestingly, high-pressure NMR spectroscopy investigations revealed unexpected inequivalency of the two phosphorus nuclei, which display bisequatorial coordination of the bis(phosphite) ligand in a trigonal bipyramidal rhodium complex. Upon employment in the isomerizing hydroformylation of the exceedingly challenging plant oil derived substrate methyl oleate, the bis(phosphite) rhodium complex revealed an unprecedented linear selectivity of 75%.

10aalkenes10abis(phosphite)s10aHydroformylation10aisomerization10aRhodium1 aPandey, Swechchha1 aChikkali, Samir, H. uhttps://library.ncl.res.in/content/highly-regioselective-isomerizing-hydroformylation-long-chain-internal-olefins-catalyzed-003212nas a2200217 4500008004100000022001400041245010100055210006900156260007100225300001400296490000700310520238000317100002602697700002502723700002802748700002002776700002502796700002002821700002602841856012702867 2015 eng d a1549-961800aHigh-throughput simulations of dimer and trimer assembly of membrane proteins. the DAFT approach0 aHighthroughput simulations of dimer and trimer assembly of membr a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcMAY a2278-22910 v113 a

Interactions between membrane proteins are of great biological significance and are consequently an important target for pharmacological intervention. Unfortunately, it is still difficult to obtain detailed views on such interactions, both experimentally, where the environment hampers atomic resolution investigation, and computationally, where the time and length scales are problematic. Coarse grain simulations have alleviated the later issue, but the slow movement through the bilayer, coupled to the long life times of nonoptimal dimers, still stands in the way of characterizing binding distributions. In this work, we present DAFT, a Docking Assay For Transmembrane components, developed to identify preferred binding orientations. The method builds on a program developed recently for generating custom membranes, called insane (INSert membrANE). The key feature of DAFT is the setup of starting structures, for which optimal periodic boundary conditions are devised. The purpose of DAFT is to perform a large number of simulations with different components, starting from unbiased noninteracting initial states, such that the simulations evolve collectively, in a manner reflecting the underlying energy landscape of interaction. The implementation and characteristic features of DAFT are explained, and the efficacy and relaxation properties of the method are explored for oligomerization of glycophorin A dimers, polyleucine dimers and trimers, MS1 trimers, and rhodopsin dimers. The results suggest that, for simple helices, such as GpA and polyleucine, in POPC/DOPC membranes series of 500 simulations of 500 ns each allow characterization of the helix dimer orientations and allow comparing associating and nonassociating components. However, the results also demonstrate that short simulations may suffer significantly from nonconvergence of the ensemble and that using too few simulations may obscure or distort features of the interaction distribution. For trimers, simulation times exceeding several microseconds appear needed, due to the increased complexity. Similarly, characterization of larger proteins, such as rhodopsin, takes longer time scales due to the slower diffusion and the increased complexity of binding interfaces. DAFT and its auxiliary programs have been made available from http://cgmartini.nl/, together with a working example.

1 aWassenaar, Tsjerk, A.1 aPluhackova, Kristyna1 aMoussatova, Anastassiia1 aSengupta, Durba1 aMarrink, Siewert-Jan1 aTieleman, Peter1 aBoeckmann, Rainer, A. uhttps://library.ncl.res.in/content/high-throughput-simulations-dimer-and-trimer-assembly-membrane-proteins-daft-approach-001077nas a2200181 4500008004100000022001400041245007400055210006900129260011000198300001600308490000700324520037000331100002100701700002400722700002000746700002000766856010900786 2015 eng d a1359-734500aHollow tubular porous covalent organic framework (COF) nanostructures0 aHollow tubular porous covalent organic framework COF nanostructu aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcJUN a11717-117200 v513 a

Hollow and tubular TpPa-COF structures have been synthesized by template-assisted replication of nanometer sized ZnO-nanorods. The hollow structures composed of microporous TpPa shells have high periodicity, moderate porosity, chemical stability and capsule shaped morphology as revealed by X-ray diffraction, porosity measurements, and SEM and TEM analyses.

1 aPachfule, Pradip1 aKandmabeth, Sharath1 aMallick, Arijit1 aBanerjee, Rahul uhttps://library.ncl.res.in/content/hollow-tubular-porous-covalent-organic-framework-cof-nanostructures-001999nas a2200181 4500008004100000022001400041245008200055210006900137260007100206300001400277490000800291520132600299100002101625700001901646700002501665700001801690856010901708 2015 eng d a1520-610600aHuman telomeric RNA G-quadruplex response to point mutation in the G-quartets0 aHuman telomeric RNA Gquadruplex response to point mutation in th a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcAPR a4617-46270 v1193 a

Many putative G-quadruplex forming sequences have been predicted to exist in the human genome and transcriptome. As these sequences are subject to point mutations or SNPs (single nucleotide polymorphisms) during the course of evolution, we attempt to understand impact of these mutations in context of RNA G-quadruplex formation using human telomeric RNA (TERRA) as a model sequence. Our studies suggest that G-quadruplex stability is sensitive to substitution of the guanines comprising G-quartets. While central G-quartet plays a crucial role in maintaining the DNA G-quadruplex stability as evident in literature, there is equal importance of three G-quartets in the stability of RNA quadruplex structure. The work here highlights the alterations in the G-quartet are detrimental to the integrity of overall RNA G-quadruplex structure. Furthermore, TmPyP4 molecules are shown to exhibit similar binding behavior toward telomeric RNA G-quadruplex harboring base substitutions employing CD titrations and isothermal titration calorimetry; well indicating that mutation does not influence TmPyP4 recognition ability as it affects the stability of RNA G-quadruplex. Thus, our study implicates that mutation in G-quartets causes destabilization of RNA G-quadruplex without affecting its trans factor binding ability.

1 aAgarwala, Prachi1 aKumar, Santosh1 aPandey, Satyaprakash1 aMaiti, Souvik uhttps://library.ncl.res.in/content/human-telomeric-rna-g-quadruplex-response-point-mutation-g-quartets-001550nas a2200193 4500008004100000022001400041245011200055210006900167260007100236300001400307490000800321520078500329100002301114700002001137700002001157700002401177700002501201856013001226 2015 eng d a1932-744700aHybrid perovskite films by a new variant of pulsed excimer laser deposition: a room-temperature dry process0 aHybrid perovskite films by a new variant of pulsed excimer laser a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcAPR a9177-91850 v1193 a

A new variant of the classic pulsed laser deposition (PLD) process is introduced as a room-temperature dry process for the growth and stoichiometry control of hybrid perovskite films through the use of nonstoichiometric single target ablation and off-axis growth. Mixed halide hybrid perovskite films nominally represented by CH(3)NH(3)PbI(3-x)A(x) (A = Cl or F) are also grown and are shown to reveal interesting trends in the optical properties and photoresponse. Growth of good quality lead-free CH3NH3SnI3 films is also demonstrated, and the corresponding optical properties are presented. Finally, perovskite solar cells fabricated at room temperature (which makes the process adaptable to flexible substrates) are shown to yield a conversion efficiency of about 7.7%.

1 aBansode, Umesh, P.1 aNaphade, Rounak1 aGame, Onkar, S.1 aAgarkar, Shruti, A.1 aOgale, Satishchandra uhttps://library.ncl.res.in/content/hybrid-perovskite-films-new-variant-pulsed-excimer-laser-deposition-room-temperature-dry-001939nas a2200181 4500008004100000022001400041245010000055210006900155260007100224300001600295490000800311520123300319100001901552700001601571700001701587700002401604856012901628 2015 eng d a1520-610600aHydrogen bond and ligand dissociation dynamics in fluoride sensing of Re(I)-polypyridyl complex0 aHydrogen bond and ligand dissociation dynamics in fluoride sensi a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcNOV a14952-149580 v1193 a

Hydrogen bonding interaction plays an essential role in the early phases of molecular recognition and colorimetric sensing of various anions in aprotic media. In this work, the host-guest interaction between fac-[Re(CO)(3)Cl(L)] with L = 4-([2,2'-bipyridin]-4-yl)phenol and fluoride ions is investigated for the hydrogen bond dynamics and the changing local coordination environment. The stoichiometric studies using H-1 NMR and ESI-MS spectroscopies have shown that proton transfer in the H-bonded phenol-fluoride complex activates the dissociation of the CO ligand in the Re(I) center. The phenol-to-phenolate conversion during formation of HF2- ion induces nucleophilic lability of the CO ligand which is probed by intraligand charge transfer (ILCT) and ligand-to-metal charge transfer (LMCT) transitions in transient absorption spectroscopy. After photoexcitation, phenol-phenoxide conversion rapidly equilibrates in 280 fs time scale and the ensuing excited state [ReII(bpy(center dot-)-phenolate(-))(CO)(3)Cl]* undergoes CO dissociation in the ultrafast time scale of similar to 3 ps. A concerted mechanism of hydrogen cleavage and coordination change is established in anion sensing studies of the rhenium complex.

1 aVerma, Sandeep1 aAute, Sunil1 aDas, Amitava1 aGhosh, Hirendra, N. uhttps://library.ncl.res.in/content/hydrogen-bond-and-ligand-dissociation-dynamics-fluoride-sensing-rei-polypyridyl-complex-101811nas a2200217 4500008004100000022001400041245008200055210006900137260011000206300001400316490000600330520101100336100001401347700002001361700001701381700001801398700001801416700002901434700001901463856011101482 2015 eng d a2044-475300aHydrogen production by the water-gas shift reaction using CuNi/Fe2O3 catalyst0 aHydrogen production by the watergas shift reaction using CuNiFe2 aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcFEB a2752-27600 v53 a

Incorporation of both Cu and Ni together into the crystalline lattice of Fe2O3 results in a significant increase in the catalytic activity and also suppresses the methanation reaction in the high-temperature water-gas shift (HT-WGS) reaction. CuNi/Fe2O3 exhibited the highest CO conversion with negligible CH4 selectivity at the extremely high GHSV of 101 000 h(-1) (X-CO = 85% at 400 degrees C). The high activity of CuNi/Fe2O3 catalyst is mainly due to the increase in the lattice strain and the decrease in the binding energy of lattice oxygen. In addition, X-ray photoelectron spectroscopy (XPS) results provide direct evidence for the formation of surface CuNi alloy, which plays a critical role in suppressing the methanation reaction. The detailed characterization by powder X-ray diffraction (XRD), XPS, BET, and H-2 temperature-programmed reduction (TPR) techniques was used to understand the role of dopants on host iron oxides in the enhancement of catalytic activity for HT-WGS reaction.

1 aJha, Ajay1 aJeong, Dae-Woon1 aShim, Jae-Oh1 aJang, Won-Jun1 aLee, Yeol-Lim1 aRode, Chandrashekhar, V.1 aRoh, Hyun-Seog uhttps://library.ncl.res.in/content/hydrogen-production-water-gas-shift-reaction-using-cunife2o3-catalyst-001100nas a2200181 4500008004100000022001400041245009300055210006900148260011000217300001600327490000600343520036200349100001900711700001800730700002500748700002100773856012400794 2015 eng d a2046-206900aHydrothermal synthesis and characterization of carbon nanospheres: a mechanistic insight0 aHydrothermal synthesis and characterization of carbon nanosphere aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcJUN a59491-594940 v53 a

Hydrothermally synthesized carbon nanospheres (CNS) follow a process of early nucleation followed by growth during synthesis. Here we report that growth occurs precisely after 5 min and prior to it nucleation occurs. The nucleation is a brief step in nanoparticle formation followed by growth of the nanoparticle depending on the reaction parameters.

1 aBhagat, P., N.1 aPatil, K., R.1 aBodas, Dhananjay, S.1 aPaknikar, K., M. uhttps://library.ncl.res.in/content/hydrothermal-synthesis-and-characterization-carbon-nanospheres-mechanistic-insight-001460nas a2200205 4500008004100000022001400041245008600055210006900141260006900210300001200279490000800291520074200299653001501041653002101056653000801077653001201085100002201097700001901119856011601138 2015 eng d a0925-838800aHydrothermal synthesis of WS2/RGO sheet and their application in UV photodetector0 aHydrothermal synthesis of WS2RGO sheet and their application in  aPO BOX 564, 1001 LAUSANNE, SWITZERLANDbELSEVIER SCIENCE SAcDEC a298-3030 v6533 a

Two-dimensional (2D) semiconductor nanomaterials hold great promises for future electronics and optics. In this paper, we report UV photocurrent response of 2D hybrid materials consisting of layered WS2 nanosheets and reduced graphene oxide prepared by using one step hydrothermal method. Few-layer WS2 and WS2/RGO nanosheets are characterized by Raman spectroscopy and HRTEM. The electric and optoelectronic properties of WS2 and WS2/RGO based UV photodetector shows a fast response of 48s and 85s and high photosensitivity (80 mu AW(-1) and 3.21 mAW(-1)) indicating that the two-dimensional composite nanostructure WS2/RGO is an important material for high performance photodetectors. (C) 2015 Elsevier B.V. All rights reserved.

10ananosheets10aUV photodetector10aWS210aWS2/RGO1 aShelke, Nitin, T.1 aKarche, B., R. uhttps://library.ncl.res.in/content/hydrothermal-synthesis-ws2rgo-sheet-and-their-application-uv-photodetector-002279nas a2200169 4500008004100000022001400041245014700055210006900202260011000271300001400381490000700395520151500402100001701917700002501934700001901959856013101978 2015 eng d a1144-054600aHyperhydrophilic three-dimensional crosslinked beads as an effective drug carrier in acidic medium: adsorption isotherm and kinetics appraisal0 aHyperhydrophilic threedimensional crosslinked beads as an effect aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcJAN a3835-38440 v393 a

Conventional drug delivery materials are known to provide slow and low drug loading in aqueous medium due to the hydrophobic or less hydrophilic properties of the carrier. However, the present study explored the synthesis of cheaply available metals modified with a hyperhydrophilic polymer. Hyperhydrophilic three-dimensional crosslinked beads as a drug carrier were synthesized with desirable properties that substantially influence the polymer efficiency. These synthesized polymers were characterized for surface area, particle size, acid content and morphology, and the metal modification was evaluated to obtain an efficient polymer for drug adsorption in an acidic medium. Contact time, which significantly affects drug adsorption was comparatively evaluated using the cheaply available metals, cobalt and nickel. Interestingly, an adsorption study revealed that gradual drug loading occurs during the initial 12 h. Afterwards, adsorption increases steadily and then stabilizes. Furthermore, theoretical predictions of adsorption, including Langmuir adsorption isotherm and pseudo order kinetics, were also evaluated. Remarkably, polymer supported Co/Ni demonstrated 85 and 78% metoprolol drug adsorption, respectively, at an optimum pH of 3 after 24 h. Langmuir adsorption isotherm revealed monolayer adsorption on the polymer supported Co/Ni. Pseudo first and second order kinetics were also evaluated and demonstrated the adsorption mechanism and equilibrium adsorption capacity, respectively.

1 aMane, Sachin1 aPonrathnam, Surendra1 aChavan, Nayaku uhttps://library.ncl.res.in/content/hyperhydrophilic-three-dimensional-crosslinked-beads-effective-drug-carrier-acidic-medium-001743nas a2200181 4500008004100000022001400041245009100055210006900146260011000215300001400325490000700339520099800346100002301344700001901367700002901386700002401415856012201439 2015 eng d a1744-683X00aHysteretic DC electrowetting by field-induced nano-structurations on polystyrene films0 aHysteretic DC electrowetting by fieldinduced nanostructurations  aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcFEB a2655-26640 v113 a

Electrowetting (EW) offers executive wetting control of conductive liquids on several polymer surfaces. We report a peculiar electrowetting response for aqueous drops on a polystyrene (PS) dielectric surface in the presence of silicone oil. After the first direct current (DC) voltage cycle, the droplet failed to regain Young's angle, yielding contact angle hysteresis, which is close to a value found in ambient air. We conjecture that the hysteretic EW response appears from in situ surface modification using electric field induced water-ion contact with PS surface inducing nano-structuration by electro-hydrodynamic (EHD) instability. Atomic force microscopy confirms the formation of nano-structuration on the electrowetted surface. The effects of molecular weight, applied electric field, water conductivity and pH on nano-structuration are studied. Finally, the EW based nano-structuration on PS surface is used for the enhanced loading of aqueous dyes on hydrophobic surfaces.

1 aSawane, Yogesh, B.1 aDatar, Suwarna1 aOgale, Satishchandra, B.1 aBanpurkar, Arun, G. uhttps://library.ncl.res.in/content/hysteretic-dc-electrowetting-field-induced-nano-structurations-polystyrene-films-002069nas a2200289 4500008004100000022001400041245006700055210006400122260006900186300001200255490000800267520115300275653001301428653001801441653001601459653001001475653001101485100002301496700002801519700001901547700002301566700001901589700003001608700002101638700001801659856010201677 2016 eng d a0925-400500aH2S detection using low-cost SnO2 nano-particle Bi-layer OFETs0 aH2S detection using lowcost SnO2 nanoparticle Bilayer OFETs aPO BOX 564, 1001 LAUSANNE, SWITZERLANDbELSEVIER SCIENCE SAcNOV a378-3850 v2353 a

In this article, a unique platform with an organic field-effect transistor (OFET) integrated with metal oxide nanoparticles for sensing of H2S gas is presented. Metal oxide nanoparticles such as SnO2 and ZnO synthesized using herbal techniques were used in the fabrication of OFETs using a bi-layer technique. The as -synthesized nanoparticles were characterized by Field Effect Scanning Electron Microscopy (FESEM), X-ray diffraction (XRD) and UV-vis Spectroscopy (UV-vis) to establish the material properties. We showed that the SnO2 based OFETs displayed better response for H2S at room temperature (25 degrees C) compared to the OFETs fabricated with ZnO. The characterization of the sensors by using extracted electrical parameters like field-effect mobility ([1), On -Current (Ion), threshold voltage (VT) and saturation current (ID]) establish the fact that the SnO2 based OFETs detect H2S gas at room temperature. Plausible mechanisms explaining the H2S gas detection by bi-layer film were discussed. On the other hand, the sensitivity of these OFETs against other reducing gases was less. (C) 2016 Elsevier B.V. All rights reserved.

10abi-layer10aH2S detection10aMetal-oxide10aOFETs10aSensor1 aSurya, Sandeep, G.1 aAshwath, B., S. Narayan1 aMishra, Sushma1 aKarthik, A., R. B.1 aSastry, A., B.1 aPrasad, Bhagavatula L. V.1 aRangappa, Dinesh1 aRao, Ramgopal uhttps://library.ncl.res.in/content/h2s-detection-using-low-cost-sno2-nano-particle-bi-layer-ofets01867nas a2200145 4500008004100000245009100041210006900132260000800201300002700209490000600236520132300242100002101565700001701586856011801603 2016 eng d00aHeat and mass transfer analysis of a pot-in-pot refrigerator using reynolds flow model0 aHeat and mass transfer analysis of a potinpot refrigerator using cSEP aArticle Number: 0310060 v83 aHeat and mass transfer analysis of evaporative cooling process in a pot-in-pot cooling system is done based on Reynolds flow hypotheses. The model proposed herein assumes that the heat transfer due to natural convection is coupled with an imaginary ambient air mass flow rate (gAo) which is an essential assumption in order to arrive at the solution for the rate of water evaporation. Effect of several parameters on the pot-in-pot system performance has been studied. The equations are iteratively solved and detailed results are presented to evaluate the cooling performance with respect to various parameters: ambient temperature, relative humidity (RH), pot height, pot radius, total heat load, thermal and hydraulic conductivity, and radiation heat transfer. It was found that pot height, pot radius, total heat load, and radiation heat transfer play a critical role in the performance of the system. The model predicts that at an ambient temperature of 50 degrees C and RH of 40%, the system achieves a maximum efficiency of 73.44% resulting in a temperature difference of nearly 20 degrees C. Similarly, for a temperature of 30 degrees C and RH of 80%, the system efficiency was minimum at 14.79%, thereby verifying the usual concept that the pot-in-pot system is best suited for hot and dry ambient conditions.1 aPandey, Ramendra1 aPesala, Bala uhttps://library.ncl.res.in/content/heat-and-mass-transfer-analysis-pot-pot-refrigerator-using-reynolds-flow-model01254nas a2200145 4500008004100000022002000041245002800061210002800089260001800117300001100135520086100146100002101007700001701028856006301045 2016 eng d a978-012801457-800aHeterogeneous catalysis0 aHeterogeneous catalysis bElsevier Inc. a41-1113 aA majority of industrial catalytic processes use heterogeneous catalysts because of their engineering advantages. At present, heterogeneous catalysis covers almost 80% of the global market share. The demand for heterogeneous catalysis is growing annually. In 2010, it was about US 14 billion and expected estimation of it in 2015 is around 20 billion. Understanding at the molecular level the way surfaces of solids catalyze chemical reactions is a challenge in this area of research. This chapter introduces the fundamentals of heterogeneous catalysis, current industrial practices using solid catalysts, reaction steps involved in heterogeneous catalysis, conventional and advanced methods of catalyst preparation, catalyst characterization techniques, causes for catalyst deactivation, steps to avoid deactivation, and methods of catalyst reactivation. 1 aUnnikrishnan, P.1 aSrinivas, D. uhttps://library.ncl.res.in/content/heterogeneous-catalysis02129nas a2200157 4500008004100000245015900041210006900200260000800269300001600277490000600293520146600299100001901765700002901784700002701813856013101840 2016 eng d00aHeterotriangulene-based unsymmetrical squaraine dyes: synergistic effects of donor moieties and out-of-plane branched alkyl chains on dye cell performance0 aHeterotriangulenebased unsymmetrical squaraine dyes synergistic  cNOV a18910-189210 v43 aUnsymmetrical squaraine sensitizers with two different donor moieties, triphenylamine (NSQR) and heterotriangulene (NSQ1–3), for dye-sensitized solar cells (DSSCs) have been designed and synthesized. These dyes utilize the indolium moiety to control charge recombination dynamics at the TiO2-dye-electrolyte interface by connecting linear and branched alkyl functionalities. In the present study, an efficient heterotriangulene (HT) donor and a branched alkyl group at sp3-C atoms were strategically incorporated to increase the power conversion efficiency (PCE) of zwitterionic dyes by improving photo-current density (Jsc) and open-circuit potential (Voc) of the cell. Among these four dyes, NSQ3 exhibited the highest efficiency of 6.73% with a Jsc of 18.74 mA cm−2, Voc of 0.53 V, and fill factor (ff) of 68.3%, without any co-adsorbent under an irradiance of 100 mW cm−2 (simulated AM 1.5G sunlight). In the presence of 3α,7α-dihydroxy-5β-cholanic acid (CDCA), NSQ1, NSQ2 and NSQ3 showed an efficiency of 7.07%, 7.38% and 7.17%, respectively. Despite the low Voc, far red light harvesting efficiency, reduced dye aggregation, long lifetime (τ) of injected electrons and high quantum efficiency of NSQ1–3 played constructive roles in achieving high PCE efficiency. Deceleration of charge recombination for NSQ dye cells was further studied by electrochemical impedance spectroscopy (EIS) and open-circuit photo-voltage decay (OCVD) measurements.1 aKarjule, Neeta1 aMunavvar, Fairoos, M. K.1 aNithyanandhan, Jayaraj uhttps://library.ncl.res.in/content/heterotriangulene-based-unsymmetrical-squaraine-dyes-synergistic-effects-donor-moieties-and01745nas a2200241 4500008004100000022001400041245014400055210006900199260007900268300001200347490000700359520080600366653001301172653002501185653001001210653002901220653003101249100002401280700002201304700002801326700002501354856012401379 2016 eng d a1226-086X00aHierarchical K/LTL zeolites: synthesis by alkali treatment, characterization and catalytic performance in knoevenagel condensation reaction0 aHierarchical KLTL zeolites synthesis by alkali treatment charact a360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USAbELSEVIER SCIENCE INCcAUG a128-1360 v403 a

The hierarchical K/LTL zeolites prepared by post-synthesis modification with aqueous 1.5 M KOH solution by varying alkali volume to K/LTL zeolite (10-70 ml/g) ratios, were examined in Knoevenagel condensation. The physico-chemical properties of the catalysts were thoroughly evaluated by PXRD, ICP, CO2-TPD, XPS, N-2 adsorption/desorption and Si-29 and Al-22 MAS-NMR. Among all the samples, hierarchical K/LTL prepared by treating K/LTL with 50 ml aqueous 1.5 M KOH solution per gram of K/LTL displayed about 1.5 fold higher catalytic activity as compared to parent K/LTL, presumably because of combined effect of enhanced basicity and molecular diffusion through pore channels. (C)2016 The Korean Society of Industrial and Engineering Chemistry. Published by Elsevier B.V. All rights reserved.

10aBasicity10aHierarchical zeolite10aK/LTL10aKnoevenagel condensation10aMicro-mesoporous composite1 aTangale, Nilesh, P.1 aSonar, Shilpa, K.1 aNiphadkar, Prashant, S.1 aJoshi, Praphulla, N. uhttps://library.ncl.res.in/content/hierarchical-kltl-zeolites-synthesis-alkali-treatment-characterization-and-catalytic02624nas a2200265 4500008004100000022001400041245016000055210006900215260008600284300001400370490000800384520154200392653003901934653002501973653002401998653004102022653003002063653003202093100002402125700001602149700002202165700002302187700002602210856012202236 2016 eng d a0098-644500aHigh ash char gasification in thermo-gravimetric analyzer and prediction of gasification performance parameters using computational intelligence formalisms0 aHigh ash char gasification in thermogravimetric analyzer and pre a530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USAbTAYLOR & FRANCIS INCcJAN a1029-10440 v2033 a

The coal gasification is a cleaner and more efficient process than the coal combustion. Although high ash coals are commonly utilized in the energy generation, systematic gasification kinetic studies using chars derived from these coals are scarce. Accordingly, this paper reports the development of the data-driven models for the gasification of chars derived from the high ash coals. Specifically, the models predict two important gasification performance parameters, viz. gasification rate constant and reactivity index. These models have been constructed using three computational intelligence (CI) methods, namely genetic programming (GP), multilayer perceptron (MLP) neural network (NN), and support vector regression (SVR). The inputs to the CI-based models consist of seven parameters representing the gasification reaction conditions and properties of high ash coals and chars. The data used in the modeling were collected by performing extensive gasification experiments in the CO2 atmosphere in a thermo-gravimetric analyzer (TGA) using char samples derived from the Indian coals containing high ash content. Values of the two gasification performance parameters were obtained by fitting the experimental data to the shrinking unreacted core (SUC) model. It has been observed that all the CI-based models possess an excellent prediction accuracy and generalization capability. Accordingly, these models can be gainfully employed in the design and operation of the fixed and fluidized bed gasifiers using high ash coals.

10aChar gasification kinetic modeling10aData-driven modeling10agenetic programming10aMultilayer perceptron neural network10asupport vector regression10aThermo-gravimetric analyzer1 aPatil-Shinde, Veena1 aSaha, Sujan1 aSharma, Bijay, K.1 aTambe, Sanjeev, S.1 aKulkarni, Bhaskar, D. uhttps://library.ncl.res.in/content/high-ash-char-gasification-thermo-gravimetric-analyzer-and-prediction-gasification01270nas a2200205 4500008004100000022001400041245014100055210006900196260011000265300001400375490000700389520039400396100002500790700002500815700002100840700002600861700002400887700002100911856013200932 2016 eng d a1359-734500aHigh hydroxide conductivity in a chemically stable crystalline metal-organic framework containing a water-hydroxide supramolecular chain0 aHigh hydroxide conductivity in a chemically stable crystalline m aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcJUN a8459-84620 v523 a

A chemically stable cationic MOF encapsulating an in situ formed water-hydroxide supramolecular anionic chain is realized for high hydroxide (OH-) ion conductivity in the solid-state (Type A). High OH- ion conductivity and low activation energy of the MOF demonstrate the advantage of the in situ incorporation of OH- ions to achieve efficient OH- ion conduction in the solid-state.

1 aNagarkar, Sanjog, S.1 aAnothumakkool, Bihag1 aDesai, Aamod, V.1 aShirolkar, Mandar, M.1 aKurungot, Sreekumar1 aGhosh, Sujit, K. uhttps://library.ncl.res.in/content/high-hydroxide-conductivity-chemically-stable-crystalline-metal-organic-framework-containing01928nas a2200181 4500008004100000022001400041245010300055210006900158260007100227300001400298490000700312520120800319100002101527700002001548700002001568700003101588856012701619 2016 eng d a0020-166900aHigh loading of pd nanoparticles by interior functionalization of mofs for heterogeneous catalysis0 aHigh loading of pd nanoparticles by interior functionalization o a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcMAR a2345-23540 v553 a

In this report, the issue related to nanoparticle (NP) agglomeration upon increasing their loading amount into metal-organic frameworks (MOFs) has been addressed by functionalization of MOFs with alkyne groups. The alkynophilicity of the Pd2+ (or other noble metals) ions has been utilized successfully for significant loading of Pd NPs into alkyne functionalized MOFs. It has been shown here that the size and loading amount of Pd NPs are highly dependent on the surface area and pore width of the MOFs. The loading amount of Pd NPs was increased monotonically without altering their size distribution on a particular MOF. Importantly, the distinct role of alkyne groups for Pe(2+) stabilization has also been demonstrated by performing a control experiment considering a MOF without an alkyne moiety. The preparation of NPs involved two distinct steps viz. adsorption of metal ions inside MOFs and reduction of metal ions. Both of these steps were monitored by microscopic techniques. This report also demonstrates the applicability of Pd@MOF NPs as extremely efficient heterogeneous catalysts for Heck-coupling and hydrogenation reactions of aryl bromides or iodides and alkenes, respectively.

1 aGole, Bappaditya1 aSanyal, Udishnu1 aBanerjee, Rahul1 aMukherjee, Partha, Sarathi uhttps://library.ncl.res.in/content/high-loading-pd-nanoparticles-interior-functionalization-mofs-heterogeneous-catalysis-001384nas a2200157 4500008004100000245007800041210006900119260000800188300002700196490000600223520081700229100002201046700002401068700002401092856011001116 2016 eng d00aHigh performance humidity sensor and photodetector based on SnSe nanorods0 aHigh performance humidity sensor and photodetector based on SnSe cOCT aArticle Number: 1050380 v33 aTin selenide (SnSe) nanorods were synthesized using a. one-step solvothermal route and. their. humidity sensing and photodetection performance at room temperature were investigated. The results depict. that SnSe nanorod-based humidity and photosensors have. good long-term stability, are. highly sensitive and have. fast response and recovery times. In the. case of the. humidity sensor it was observed that the resistance of the films decreased. with increasing relative humidity (RH). The humidity sensing behaviors were investigated in the range. 11-97% RHat room temperature. A. response time of similar to 68 s and recovery time of similar to 149 s were observed for. the humidity sensor. The photosensing behavior showed. typical response/recovery times of similar to 3 s with highly reproducible behavior.1 aPawbake, Amit, S.1 aJadkar, Sandesh, R.1 aLate, Dattatray, J. uhttps://library.ncl.res.in/content/high-performance-humidity-sensor-and-photodetector-based-snse-nanorods01077nas a2200193 4500008004100000022001400041245011400055210006900169260000800238300001600246490000600262520037200268100002300640700002800663700002200691700002400713700002100737856012500758 2016 eng d a2040-336400aHigh-index faceted Au nanocrystals with highly controllable optical properties and electro-catalytic activity0 aHighindex faceted Au nanocrystals with highly controllable optic cNOV a19224-192280 v83 a

We introduce a new and naturally abundant mild reducing agent, tannic acid, to improve the seed-mediated growth method for the synthesis of elongated tetrahexahedral Au nanocrystals enclosed with high-index (730) planes, at room-temperature. The control of the dimensions, plasmonics and electro-catalysis of such high-index faceted nanocrystals is remarkable.

1 aRajendra, Ranguwar1 aGangadharan, Pranav, K.1 aTripathi, Shalini1 aKurungot, Sreekumar1 aBallav, Nirmalya uhttps://library.ncl.res.in/content/high-index-faceted-au-nanocrystals-highly-controllable-optical-properties-and-electro02331nas a2200241 4500008004100000022001400041245010100055210006900156260009900225300001200324490000700336520143200343653002601775653001501801653002401816653002001840653001701860653002501877100001801902700002601920700001901946856012401965 2016 eng d a1359-511300aHighly active bile salt hydrolase from enterococcus faecalis shows positive cooperative kinetics0 aHighly active bile salt hydrolase from enterococcus faecalis sho aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLANDbELSEVIER SCI LTDcFEB a263-2690 v513 a

Bile salt hydrolase (BSH; cholylglycine hydrolase, EC 3.5.1.24) is an important enzyme that catalyses the deconjugation of bile acids conjugated with glycine or taurine and assists in the reduction of blood cholesterol levels. In the present study, we report the cloning, overexpression and characterisation of BSH gene from a gut-associated microbe Enterococcus faecalis (EfBSH). The overexpressed protein in Escherichia coli was purified to homogeneity. Optimum pH and temperature for activity were found to be 5.0 and 50 degrees C, respectively. The enzyme was considerably stable in the pH range of 5.0-7.0 and at a temperature of up to 50 degrees C. It showed high specific activity of 1390 U mg(-1) and 1289 U mg-1 for substrates such as glycocholic acid (GCA) and glycodeoxycholic acid (GDCA), respectively. The effect of additives on enzyme activity was assessed, and the detergent Triton X showed a marginally enhanced activity. The enzyme demonstrated unique enzyme kinetics of non-linear regression, thereby displaying positive cooperativity. In addition, the modulating effect of the non-substrate ligand Pen V on the hydrolysing ability of EfBSH towards bile acid such as GDCA was measured. It was observed that Pen V significantly enhanced the BSH activity. This is markedly different from the previously reported competitive inhibition of BSH activity by Pen V. (C) 2015 Elsevier Ltd. All rights reserved.

10aAllosteric regulation10aBile acids10aBile salt hydrolase10aEnzyme kinetics10aGut organism10aPenicillin V acylase1 aChand, Deepak1 aRamasamy, Sureshkumar1 aSuresh, C., G. uhttps://library.ncl.res.in/content/highly-active-bile-salt-hydrolase-enterococcus-faecalis-shows-positive-cooperative-001541nas a2200193 4500008004100000022001400041245015600055210006900211260011000280300001600390490000600406520068300412100002401095700002301119700002201142700003301164700002301197856012701220 2016 eng d a2046-206900aHighly efficient nitrogen-doped hierarchically porous carbon supported Ni nanoparticles for the selective hydrogenation of furfural to furfuryl alcohol0 aHighly efficient nitrogendoped hierarchically porous carbon supp aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcJUL a67662-676680 v63 a

Nickel nanoparticles supported on nitrogen doped hierarchically porous carbon (Ni/CN) are found to be highly efficient and reusable catalysts for the selective hydrogenation of biomass-derived furfural to furfuryl alcohol (FA). Various characterization methods were used to study the structural and morphological features of the catalysts. Furfural conversion of 96% and 95% FA selectivity was obtained using a 5 wt% Ni/CN catalyst. This catalyst showed excellent recyclability without any loss in activity and FA selectivity when it was reused four times. The higher catalytic performance is attributed to the nitrogen incorporated hierarchical porous 3D carbon network.

1 aKotbagi, Trupti, V.1 aGurav, Hanmant, R.1 aNagpure, Atul, S.1 aChilukuri, Satyanarayana, V.1 aBakker, Martin, G. uhttps://library.ncl.res.in/content/highly-efficient-nitrogen-doped-hierarchically-porous-carbon-supported-ni-nanoparticles01295nas a2200157 4500008004100000245011600041210006900157260000800226300001600234490000700250520068500257100001800942700001600960700002900976856013201005 2016 eng d00aHighly selective direct azidation of alcohols over a heterogeneous povidone-phosphotungstic solid acid catalyst0 aHighly selective direct azidation of alcohols over a heterogeneo cDEC a10240-102450 v403 aA simple protocol for the selective azidation of alcohols is developed using a solid acid hybrid of a povidone and phosphotungstic acid (PVP-PWA) using azidotrimethylsilane as an azide source at room temperature. In a broad substrate scope, various activated as well as unactivated benzylic and diphenyl alcohols were treated smoothly with TMS-N-3 to selectively produce only azide products with excellent yields in a very short reaction time of 2 h. FT-IR confirmed the stability of the catalyst with retention of the Keggins structure after the reaction. Recycling experiments demonstrated the reusability of the PVP PWA (3:1) several times without losing its original activity.1 aKamble, Sumit1 aMore, Sagar1 aRode, Chandrashekhar, V. uhttps://library.ncl.res.in/content/highly-selective-direct-azidation-alcohols-over-heterogeneous-povidone-phosphotungstic-solid02076nas a2200289 4500008004100000022001400041245008500055210006900140260000900209300001200218490000800230520120100238653001801439653001701457653001101474653000901485653001101494100001801505700001601523700002201539700002601561700001701587700001701604700002801621700002401649856011301673 2016 eng d a1387-181100aHighly stable In-SBA-15 catalyst for vapor phase Beckmann rearrangement reaction0 aHighly stable InSBA15 catalyst for vapor phase Beckmann rearrang cNOV  a293-3020 v2343 a

The Indium doped SBA-15 material was prepared by sol-gel method and tested for vapor phase Beckman rearrangement reaction. Among three indium loading, In/Si ratio of 2/100 was found as an optimum composition in terms of caprolactam selectivity (100%) and cyclohexanone oxime conversion (100%). The catalysts were characterized by N-2 adsorption, small-angle X-rays/neutron scattering (SAXS/SANS), XRD, FESEM, HRTEM, EDX, UV, FTIR and NH3-TPD techniques. In-situ SANS experiment was performed on the adsorption of CO2 to detect the micropores in the mesopore wall. All catalysts samples have highly ordered hexagonal structure with well dispersed indium in the silica matrix. The fine tuning of weak and strong acid sites were found in indium doped SBA-15 (In/Si = 2/100) catalyst. The same catalyst showed optimum catalytic performance, high space time yield 114.4 mol/h/g(cat) and high stability till 6 h of reaction without deactivation. The micro-kinetic analysis showed that there were no external and internal diffusion limitations in the SBA-15 catalyst. The reaction mechanism of Beckmann rearrangement over In-SBA-15 has been elucidated. (C) 2016 Elsevier Inc. All rights reserved.

10ae-Caprolactam10aIn-situ SANS10aindium10aSAXS10aSBA-151 aKumar, Rawesh1 aShah, Sneha1 aBahadur, Jitendra1 aMelnichenko, Yuri, B.1 aSen, Debasis1 aMazumder, S.1 aVinod, Chathakudath, P.1 aChowdhury, Biswajit uhttps://library.ncl.res.in/content/highly-stable-sba-15-catalyst-vapor-phase-beckmann-rearrangement-reaction01853nas a2200193 4500008004100000022001400041245010900055210006900164260006700233300001200300490000600312520111000318100001801428700002001446700002201466700002001488700002501508856012601533 2016 eng d a2196-735000aHighly stable laser-scribed flexible planar microsupercapacitor using mushroom derived carbon electrodes0 aHighly stable laserscribed flexible planar microsupercapacitor u a111 RIVER ST, HOBOKEN 07030-5774, NJ USAbWILEY-BLACKWELLcJUN a16000570 v33 a

A report is presented on the fabrication of all solid-state interdigitated flexible microsupercapacitor using ultrafast and highly scalable laser scribing technique, using highly mesoporous carbon synthesized from biomass (mushroom) with hydrothermal preprocessing. The specific protocol used for carbon synthesis renders some unique property features to the material (surface area of 2604 m(2) g(-1) with hierarchical pore size distribution) in the context of supercapacitor electrode application. A polyvinyl alcohol (PVA)-H2SO4 gel electrolyte is used for electrochemical measurements. The microsupercapacitor shows high cyclic stability up to 15000 cycles. Moreover it shows nearly 90% stability after 1000 bending cycles at 60 degrees angle. It also retains its performance even under 120 degrees bending condition. This work represents a facile and fast technique for microscaled device fabrication that can be easily commercialized. Moreover, the mushroom-derived carbon used to make the electrodes holds great promise in context of the stability and flexibility of flexible supercapacitors.

1 aYadav, Poonam1 aBasu, Aniruddha1 aSuryawanshi, Anil1 aGame, Onkar, S.1 aOgale, Satishchandra uhttps://library.ncl.res.in/content/highly-stable-laser-scribed-flexible-planar-microsupercapacitor-using-mushroom-derived00669nas a2200157 4500008004100000022001400041245010100055210006900156260007500225300001200300490000700312100002400319700002300343700001800366856012700384 2016 eng d a0039-788100aHighly stereoselective, intermolecular haloetherification and haloesterification of allyl amides0 aHighly stereoselective intermolecular haloetherification and hal aRUDIGERSTR 14, D-70469 STUTTGART, GERMANYbGEORG THIEME VERLAG KGcFEB aA25-A280 v481 aSoltanzadeh, Bardia1 aJaganathan, Arvind1 aBorhan, Babak uhttps://library.ncl.res.in/content/highly-stereoselective-intermolecular-haloetherification-and-haloesterification-allyl-002462nas a2200253 4500008004100000022001400041245013900055210006900194260007100263300001400334490000600348520151800354653003001872653002001902653001701922653001601939653001401955653002301969100002201992700002502014700002402039700002402063856012102087 2016 eng d a1944-824400aHighly transparent wafer-scale synthesis of crystalline WS2 nanoparticle thin film for photodetector and humidity-sensing applications0 aHighly transparent waferscale synthesis of crystalline WS2 nanop a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcFEB a3359-33650 v83 a

In the present investigation, we report a one-step synthesis method of wafer-scale highly crystalline tungsten disulfide (WS2) nanoparticle thin film by using a modified hot wire chemical vapor deposition (HW-CVD) technique. The average size of WS2 nanoparticle is found to be 25-40 nm over an entire 4 in. wafer of quartz substrate. The low-angle XRD data of WS2 nanoparticle shows the highly crystalline nature of sample along with orientation (002) direction. Furthermore, Raman spectroscopy shows two prominent phonon vibration modes of E12g and A1g at similar to 356 and similar to 420 cm(-1), respectively, indicating high purity of material. The TEM analysis shows good crystalline quality of sample. The synthesized WS2 nanoparticle thin film based device shows good response to humidity and good photosensitivity along with good long-term stability of the device. It was found that the resistance of the films decreases with increasing relative humidity (RH). The maximum humidity sensitivity of 469% along with response time of similar to 12 s and recovery time of similar to 13 s were observed for the WS2 thin film humidity sensor device. In the case of photodetection, the response time of similar to 51 s and recovery time of similar to 88 s were observed with sensitivity similar to 137% under white light illumination. Our results open up several avenues to grow other transition metal dichalcogenide nanoparticle thin film for large-area nanoelectronics as well as industrial applications.

10achemical vapor deposition10ahumidity sensor10ananoparticle10aphotosensor10athin film10atungsten disulfide1 aPawbake, Amit, S.1 aWaykar, Ravindra, G.1 aLate, Dattatray, J.1 aJadkar, Sandesh, R. uhttps://library.ncl.res.in/content/highly-transparent-wafer-scale-synthesis-crystalline-ws2-nanoparticle-thin-film-001743nas a2200277 4500008004100000022001400041245014200055210006900197260007100266300001400337490000600351520069700357653002201054653002301076653003101099653001401130653002401144653001901168100002501187700002401212700002101236700002701257700002501284700002401309856013201333 2016 eng d a1944-824400aHigh-Performance flexible solid-state supercapacitor with an extended nanoregime interface through in situ polymer electrolyte generation0 aHighPerformance flexible solidstate supercapacitor with an exten a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcJAN a1233-12410 v83 a

{Here, we report an efficient strategy by which a significantly enhanced electrodeelectrolyte interface in an electrode for supercapacitor application could be accomplished by allowing in situ polymer gel electrolyte generation inside the nanopores of the electrodes. This unique and highly efficient strategy could be conceived by judiciously maintaining ultraviolet-triggered polymerization of a monomer mixture in the presence of a high-surface-area porous carbon. The method is very simple and scalable, and a prototype, flexible solid-state supercapacitor could even be demonstrated in an encapsulation-free condition by using the commercial-grade electrodes (thickness = 150 mu m

10acyclic voltametry10aimpedance analysis10ain situ polymer generation10ainterface10apolymer electrolyte10asupercapacitor1 aAnothumakkool, Bihag1 aTorris, Arun, A. T.1 aVeeliyath, Sajna1 aVijayakumar, Vidyanand1 aBadiger, Manohar, V.1 aKurungot, Sreekumar uhttps://library.ncl.res.in/content/high-performance-flexible-solid-state-supercapacitor-extended-nanoregime-interface-through-001644nas a2200145 4500008004100000245014500041210006900186260000800255300002800263490000600291520102500297100001901322700002501341856013201366 2016 eng d00aHigh-performance organic-inorganic hybrid piezo-nanogenerator via interface enhancedpolarization effects for self-powered electronic systems0 aHighperformance organicinorganic hybrid piezonanogenerator via i cOCT aArticle Number: 16004920 v33 aAn electrospun fi ber based wearable organic-inorganic hybrid piezonanogenerator compose of suitably engineered P(VDF-TrFE) and BaTiO3 nanostructures is reported. In the case of the device with an electrospun mat of piezoelectric beta-phase P(VDF-TrFE) and BaTiO3 nanoparticulates fi lled in the interfi ber open spaces, a power density of 16 mu W cm(-2) is realized at an applied impact of 0.02 MPa (which essentially corresponds to the thumb pressure). A similar device, with BaTiO 3 additionally embedded in the P(VDF-TrFE) fi bers during their formation, renders a signifi cantly higher peak power density of 28 mu W cm(-2) with instantaneous power density of approximate to 8.8 mu W cm(-2) at the same touch pressure. This performance is attributed to the high density of interfaces in such a device and the corresponding enhancement in the dielectric response. It is demonstrated that the power generated from such a hybrid device structure can be used for small scale applications such as charging a mobile phone.1 aDhakras, Dipti1 aOgale, Satishchandra uhttps://library.ncl.res.in/content/high-performance-organic-inorganic-hybrid-piezo-nanogenerator-interface-enhancedpolarization01953nas a2200217 4500008004100000022001400041245013300055210006900188260007100257300001600328490000600344520109300350653002101443653003201464653002001496653001801516100002401534700002401558700002401582856012901606 2016 eng d a1944-824400aHumidity sensing and photodetection behavior of electrochemically exfoliated atomically thin-layered black phosphorus nanosheets0 aHumidity sensing and photodetection behavior of electrochemicall a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcMAY a11548-115560 v83 a

Recent investigations on two-dimensional black phosphorus material mainly highlight work on few atomic layers and multilayers. It is still unknown if the black phosphorus atomically thin sheet is an ideal structure for the enhanced gas solid interactions due to its large surface area. To further investigate this concern, we have synthesized few atomic layer thick nanosheets of black phosphorus using an electrochemical exfoliation method. The surface morphology and thickness of the nanosheet were identified using AFM, TEM, and Raman spectroscopy. The black phosphorus nanosheet thick film device was used for the gas sensing application with exposure to different humidites. Further, the few layer black phosphorus nanosheet based transistor shows good mobility and on/off ratio. The UV light irradiation on the black phosphorus nanosheet shows good response time. The overall results show that the few layer thick film of black phosphorus nanosheets sample exhibits creditable sensitivity and better recovery time to be used in humidity sensor and photodetector applications.

10ablack phosphorus10aelectrochemical exfoliation10ahumidity sensor10aphotodetector1 aErande, Manisha, B.1 aPawar, Mahendra, S.1 aLate, Dattatray, J. uhttps://library.ncl.res.in/content/humidity-sensing-and-photodetection-behavior-electrochemically-exfoliated-atomically-thin01849nas a2200313 4500008004100000022001400041245012200055210006900177260007100246300001200317490000600329520075600335653002901091653003501120653001901155653001701174653001501191653001501206653001701221100002001238700002101258700001901279700002101298700002201319700001901341700002301360700002501383856012701408 2016 eng d a1944-824400aHybrid perovskite quantum nanostructures synthesized by electrospray antisolvent-solvent extraction and intercalation0 aHybrid perovskite quantum nanostructures synthesized by electros a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcJAN a854-8610 v83 a

Perovskites based on organometal lead halides have attracted great deal of scientific attention recently in the context of solar cells and optoelectronic devices due to their unique and tunable electronic and optical properties. Herein, we show that the use of electrospray technique in conjunction with the antisolventsolvent extraction leads to novel low-dimensional quantum structures (especially 2-D nanosheets) of CH3NH3PbI3- and CH3NH3PbBr3-based layered perovskites with unusual luminescence properties. We also show that the optical bandgaps and emission characteristics of these colloidal nanomaterials can be tuned over a broad range of visible spectral region by compositional tailoring of mixed-halide (I- and Br-based) perovskites.

10a2D nanostructure systems10aantisolvent-solvent extraction10abandgap tuning10aelectrospray10ananosheets10aperovskite10aquantum dots1 aNaphade, Rounak1 aNagane, Satyawan1 aShanker, Shiva1 aFernandes, Rohan1 aKothari, Dushyant1 aZhou, Yuanyuan1 aPadture, Nitin, P.1 aOgale, Satishchandra uhttps://library.ncl.res.in/content/hybrid-perovskite-quantum-nanostructures-synthesized-electrospray-antisolvent-solvent-000727nas a2200181 4500008004100000245011800041210007000159260000800229300001800237490000600255100002500261700001900286700002400305700002300329700002500352700002500377856014300402 2016 eng d00aHydralazine inhibits amyloid beta (Aβ) aggregation and glycation and ameliorates Aβ1–42 induced neurotoxicity0 aHydralazine inhibits amyloid beta Aβ aggregation and glycation a cNOV a108768-1087760 v61 aBatkulwar, Kedar, B.1 aJana, Asis, K.1 aGodbole, Rashmi, K.1 aKhandelwal, Puneet1 aSengupta, Neelanjana1 aKulkarni, Mahesh, J. uhttps://library.ncl.res.in/content/hydralazine-inhibits-amyloid-beta-a%CE%B2-aggregation-and-glycation-and-ameliorates-a%CE%B21%E2%80%934201677nas a2200169 4500008004100000245008000041210006900121260000800190300000800198490000700206520110500213100001801318700002201336700002101358700001701379856011101396 2016 eng d00aHydrogel-derived soft materials for biomimetic and energy-related functions0 aHydrogelderived soft materials for biomimetic and energyrelated  cAUG a2-70 v693 aSupramolecular assembly of molecules leading to gelation of large amount of solvents is always a fascinating topic of research. In the very recent past, the exciting developments have marked hydrogels as intriguing materials with excellent features. Hydrogel scaffolds enable the accommodation of organic and/or inorganic guest materials to deliver diverse applications. Hydrogels have been exploited to generate soft materials with mechanical anisotropy, tunable rigidity, self-healing properties, as well as photocatalytic capabilities towards H2 production. Remarkably, the combination of a photocatalyst and a light-harvesting system in the gel matrix provides a unique means to photocatalytic H2 production. The biomimetic applications of hydrogels have also generated much attraction due to their potential demonstrations. The diverse applications underline the significance of such a soft gel medium to reach the final goal. Herein, important reports pertaining to the use of hydrogels as an effective way to generate advanced materials for biomimetic and energy-related issues are discussed. 1 aGoudappagouda1 aWakchaure, V., C.1 aRanjeesh, K., C.1 aBabu, S., S. uhttps://library.ncl.res.in/content/hydrogel-derived-soft-materials-biomimetic-and-energy-related-functions01326nas a2200169 4500008004100000022001400041245007900055210006900134260007300203300001200276490000800288520069600296100001700992700002301009700001601032856010801048 2016 eng d a0009-261400aHydrogen adsorption in ZIF-7: A DFT and ab-initio molecular dynamics study0 aHydrogen adsorption in ZIF7 A DFT and abinitio molecular dynamic aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcMAY a178-1820 v6513 a

Primary H-2 adsorption sites in a zeolitic imidazolate framework, ZIF-7, are identified using ab-initio density functional theory (DFT) based molecular dynamics annealing simulations. The simulations suggest several low energy adsorption sites. The effect of light transition metal decoration on hydrogen storage properties was studied. Our ab-intio DFT calculations illustrate that decorating the ZIF with Sc increases both the number of H-2 molecules, as well as the H-2 binding energy. The binding energy (similar to 25 kJ/mol per H-2) at 8H(2) loading in the pore, suggests that Sc-ZIFs can be potential candidates for hydrogen storage. (C) 2016 Elsevier B.V. All rights reserved.

1 aDixit, Mudit1 aMajor, Dan, Thomas1 aPal, Sourav uhttps://library.ncl.res.in/content/hydrogen-adsorption-zif-7-dft-and-ab-initio-molecular-dynamics-study01964nas a2200181 4500008004100000022001400041245012700055210006900182260011000251300001600361490000600377520116900383100002201552700002701574700001901601700003301620856012901653 2016 eng d a2046-206900aHydrogenation of cinnamaldehyde to hydrocinnamaldehyde over Pd nanoparticles deposited on nitrogen-doped mesoporous carbon0 aHydrogenation of cinnamaldehyde to hydrocinnamaldehyde over Pd n aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcAPR a44333-443400 v63 a

Palladium nanoparticles deposited on nitrogen-doped mesoporous carbon (NMC) were synthesized by simple ultrasonic-assisted method. This novel Pd-NMC catalyst was highly active and selective for the hydrogenation of cinnamaldehyde (CA) to hydrocinnamaldehyde (HCA) at room temperature (30 degrees C) under low H-2 pressure. The nitrogen-free mesoporous carbon (MC) and activated carbon (AC) were also employed as the support for Pd in the liquid-phase hydrogenation of CA. The incorporation of nitrogen into carbon matrix remarkably enhanced the catalytic activity and C=C bond hydrogenation selectivity (HCA selectivity of 93% with 100% CA conversion for Pd-NMC) in CA hydrogenation compared to the catalysts with no nitrogen (HCA selectivity of 66 and 47% for Pd-MC and Pd-AC, respectively). Moreover, Pd-NMC catalyst demonstrated an excellent recyclability without any loss in activity and HCA selectivity when it was reused for six times. The superior catalytic performance of Pd-NMC catalyst in CA hydrogenation is attributed to the small size of Pd nanoparticles due to presence of high nitrogen content (11.6 wt%) and mesoporous nature of NMC support.

1 aNagpure, Atul, S.1 aGurrala, Lakshmiprasad1 aGogoi, Pranjal1 aChilukuri, Satyanarayana, V. uhttps://library.ncl.res.in/content/hydrogenation-cinnamaldehyde-hydrocinnamaldehyde-over-pd-nanoparticles-deposited-nitrogen01952nas a2200289 4500008004100000022001400041245010900055210006900164260000900233300001600242490000700258520096700265653001601232653003901248653003401287653002201321653001501343100002201358700002701380700002501407700001801432700002001450700002101470700002401491700002101515856012601536 2016 eng d a1433-785100aHydrogen-bonded organic frameworks (HOFs): a new class of porous crystalline proton-conducting materials0 aHydrogenbonded organic frameworks HOFs a new class of porous cry cAUG  a10667-106710 v553 a

Two porous hydrogen-bonded organic frameworks (HOFs) based on arene sulfonates and guanidinium ions are reported. As a result of the presence of ionic backbones appended with protonic source, the compounds exhibit ultra-high proton conduction values (sigma) 0.75x 10(-2)Scm(-1) and 1.8x10(-2)Scm(-1) under humidified conditions. Also, they have very low activation energy values and the highest proton conductivity at ambient conditions (low humidity and at moderate temperature) among porous crystalline materials, such as metal-organic frameworks (MOFs) and covalent organic frameworks (COFs). These values are not only comparable to the conventionally used proton exchange membranes, such as Nafion used in fuel cell technologies, but is also the highest value reported in organic-based porous architectures. Notably, this report inaugurates the usage of crystalline hydrogen-bonded porous organic frameworks as solid-state proton conducting materials.

10aguanidinium10ahydrogen-bonded organic frameworks10aporous crystalline frameworks10aproton conduction10asulfonates1 aKarmakar, Avishek1 aIllathvalappil, Rajith1 aAnothumakkool, Bihag1 aSen, Arunabha1 aSamanta, Partha1 aDesai, Aamod, V.1 aKurungot, Sreekumar1 aGhosh, Sujit, K. uhttps://library.ncl.res.in/content/hydrogen-bonded-organic-frameworks-hofs-new-class-porous-crystalline-proton-conducting02517nas a2200205 4500008004100000245015200041210006900193260000800262300001600270490000700286520173400293100002102027700001702048700002302065700002502088700002202113700002402135700002402159856012802183 2017 eng d00aH-Bonding assisted self-assembly of anionic and neutral ligand on metal: a comprehensive strategy to mimic ditopic ligands in olefin polymerization0 aHBonding assisted selfassembly of anionic and neutral ligand on  cOCT a12448-124560 v563 aSelf-assembly of two neutral ligands on a metal to mimic bidentate ligand coordination has been frequently encountered in the recent past, but self-assembly of an anionic ligand on a metal template alongside a neutral ligand remains an elusive target. Such a self-assembly is hampered by additional complexity, wherein a highly negatively charged anion can form intermolecular hydrogen bonding with the supramolecular motif, leaving no scope for self-assembly with neutral ligand. Presented here is the self-association of anionic ligand 3-ureidobenzoic acid (2a) and neutral ligand 1-(3-(diphenylphosphanyl)phenyl)urea (1a) on a metal template to yield metal complex [{COOC6H4-NH(CO)NH2}{Ph2PC6H4NH(CO)NH2}PdMeDMSO] (4a). The identity of 4a was established by NMR and mass spectroscopy. Along the same lines, 3-(3-phenylureido)benzoic acid (2b) and 1-(3-(diphenylphosphanyl)phenyl)-3-phenylurea (1b) self-assemble on a metal template to produce palladium complex [{COOC6H4NH(CO)NHPh}{Ph2PC6H4NH(CO)NHPh}PdMePy] (5c). The existence of 5c was confirmed by Job plot, 1-2D NMR spectroscopy, deuterium labeling, IR spectroscopy, UV-vis spectroscopy, model complex synthesis, and DFT calculations. These solution and gas phase investigations authenticated the presence of intramolecular hydrogen bonding between hydrogen's of 1b and carbonyl oxygen of 2b. The generality of the supramolecular approach has been validated by preparing six complexes from four monodentate ligands, and their synthetic utility was demonstrated in ethylene polymerization. Complex 4a was found to be the most active, leading to the production of highly branched polyethylene with a molecular weight of 55700 g/mol and melting temperature of 112 degrees C.1 aMote, Nilesh, R.1 aPatel, Ketan1 aShinde, Dinesh, R.1 aGaikwad, Shahaji, R.1 aKoshti, Vijay, S.1 aGonnade, Rajesh, G.1 aChikkali, Samir, H. uhttps://library.ncl.res.in/content/h-bonding-assisted-self-assembly-anionic-and-neutral-ligand-metal-comprehensive-strategy02316nas a2200193 4500008004100000245013900041210006900180260000800249300001400257490000700271520160300278653001101881653001301892653001901905100002201924700001701946700002801963856013101991 2017 eng d00aHealable network polymers bearing flexible poly(Lauryl Methacrylate) chains via thermo-reversible furan-maleimide diels-alder reaction0 aHealable network polymers bearing flexible polyLauryl Methacryla cAUG a2700-27120 v553 aA new ATRP initiator containing two furyl rings, namely, bis(furan-2-ylmethyl) 2-bromopentanedioate was synthesized starting from commercially available L-glutamic acid as a precursor. Well-defined bisfuryl-terminated poly(lauryl methacrylate) macromonomers with molecular weight and dispersity in the range 5000-12,000 g mol(-1) and 1.30-1.37, respectively, were synthesized employing the initiator by atom transfer radical polymerization (ATRP). Independently, 1,1',1"(nitrilotris(ethane-2,1-diyl)) tris(1H-pyrrole-2,5-dione) was synthesized as a tris-maleimide counterpart for furan-maleimide click reaction. Thermo-reversible network polymer bearing flexible poly(lauryl methacrylate; (PLMA) chains was obtained by furan-maleimide Diels-Alder click reaction of bisfurylterminated PLMA with 1,1',1"-(nitrilotris(ethane-2,1-diyl)) tris(1Hpyrrole-2,5-dione). The prepared network polymer showed retro-Diels-Alder reaction in the temperature range 110-170 degrees C as determined from DSC analysis. The presence of low Tg (-40 degrees C) PLMA chains induced chain mobility to the network structure which led to the complete scratch healing of the coating at 60 degrees C in five days due to furan-maleimide adduct formation. The storage modulus of the network polymer was found to be 3.7 x 10(4) Pa at the constant angular frequency of 5 rad/ sec and strain of 0.5%. The regular reversal of storage (G0) and loss modulus (G") was observed with repeated heating (40 to 110 degrees C) and cooling cycles (110 to 40 degrees C) at constant angular frequency and strain. (C) 2017 Wiley Periodicals, Inc.10aethane10aMonomers10apolymerization1 aPatil, Sachin, S.1 aTorris, Arun1 aWadgaonkar, Prakash, P. uhttps://library.ncl.res.in/content/healable-network-polymers-bearing-flexible-polylauryl-methacrylate-chains-thermo-reversible01789nas a2200157 4500008004100000245022900041210006900270260000800339300001200347490000700359520105400366100002701420700002701447700002501474856013201499 2017 eng d00aHelical preorganization of molecules drives solid-state intermolecular acyl-transfer reactivity in crystals: structures and reactivity studies of solvates of racemic 2,6-Di-O-(4-fluorobenzoyl)-myo-inositol 1,3,5-orthoformate0 aHelical preorganization of molecules drives solidstate intermole cJAN a117-1260 v173 aRacemic 2,6-di-O-(4-fluorobenzoyl)-myo-inositol 1,3,5-orthoformate yielded structurally dissimilar solvent-free and solvated crystals depending upon the solvent of crystallization. The solvated crystals exhibited helical assembly of host molecules, due to the interaction of the guest molecules with the orthoformate moiety of the host. Some of the solvates showed specific but incomplete benzoyl group transfer reactivity below the phase transition temperature, whereas the reaction in solvent-free crystals led to a mixture of several products. These results reveal the necessity of helical molecular packing of the reacting molecules in their crystals to facilitate specific intermolecular acyl transfer reactivity. The crystal, structures of the fluorobenzoate solvates were similar to those of the solvates of the analogous chloro and bromobenzoates. The latter could be thermally :transformed into their solvent-free form via melt crystallization, resulting in the conversion of a helical molecular packing into a nonhelical molecular packing.1 aKrishnaswamy, Shobhana1 aShashidhar, Mysore, S.1 aBhadbhade, Mohan, M. uhttps://library.ncl.res.in/content/helical-preorganization-molecules-drives-solid-state-intermolecular-acyl-transfer-reactivity00762nas a2200157 4500008004100000245007800041210006900119260000800188300001600196490000900212520020400221100002300425700002000448700003000468856010600498 2017 eng d00aHeteroatom facilitated preparation of electrodes for sodium ion batteries0 aHeteroatom facilitated preparation of electrodes for sodium ion  cJUL a12659-126620 v 7 3 a

A conjugated polymer comprising heterocycles was prepared and carbonized to obtain carbon with interlayer spacings between 0.42 and 0.37 nm and exhibited a specific capacity of 250 mA h g(-1).

1 aBhosale, Manik, E.1 aBanerjee, Abhik1 aKrishnamoorthy, Kothandam uhttps://library.ncl.res.in/content/heteroatom-facilitated-preparation-electrodes-sodium-ion-batteries02053nas a2200217 4500008004100000245014100041210006900182260000800251300001000259490000800269520122100277653004101498653001901539653003601558653003501594100001701629700001401646700002701660700001801687856013001705 2017 eng d00aHeterogeneous route for transfer hydrogenation reactions of ketones using Ru(II)Cymene complex over modified benzene-organosilica (PMOB)0 aHeterogeneous route for transfer hydrogenation reactions of keto cOCT a66-740 v4403 aAn inorganic-organic hybrid catalyst, Ru(II)Cym@PMOB, was synthesized by anchoring of [Ru(II)Cl-2(Pcymene)](2) complex which is derived from a reaction between hydrated ruthenium(III) trichloride and ocphellandrene over aminofunctionalized benzene-organosilica (PMOB). In the context of secondary alcohol synthesis from ketones, transfer hydrogenation (TH) reactions are convenient compared to conventional hydrogenation reactions owing to its lower activation energy and ambient pressure and mild temperature reaction" conditions. The synthesized catalysts were characterized by CHN analysis, XRD, ICP, N-2-sorption analysis, TG & DTA, FFIR,C-13 & 29Si solid NMR, UV-vis, TEM, SEM and XPS. The catalytic activities of neat [Ru(II)C-12(p-cymene)]2 complex and Ru(II)Cym@PMOB were evaluated in transfer hydrogenation (TH) of ketones (-97%) and compared with conventional hydrogenation reactions (-5%) where molecular H-2 was used. The results showed Ru(II)Cym@PMOB as highly active catalyst towards transfer hydrogenation (TH) reaction of acetophenones compared to neat [Ru(II)Cl-2(p-cymene)(12) complex. The heterogeneity of Ru(II)Cym@PMOB was confirmed by Sheldon's test. (C) 2017 Elsevier B.V. All rights reserved.10aConventional Hydrogenation Reactions10aRu(II)Cym@PMOB10aTransfer Hydrogenation Reaction10a[Ru(II)Cl2(p-cymene)]2 complex1 aLazar, Anish1 aSilpa, S.1 aPrabhakaran, Vinod, C.1 aSingh, A., P. uhttps://library.ncl.res.in/content/heterogeneous-route-transfer-hydrogenation-reactions-ketones-using-ruiicymene-complex-over03588nas a2200169 4500008004100000245013700041210006900178260000800247490000600255520282600261653010203087100002303189700002203212700002403234700002903258856013103287 2017 eng d00aHeterogeneously catalyzed domino synthesis of 3-indolylquinones involving direct oxidative C-C coupling of hydroquinones and indoles0 aHeterogeneously catalyzed domino synthesis of 3indolylquinones i cMAY0 v23 a
Abstract Image

A domino synthesis of 3-indolylquinones was achieved successfully via direct oxidative C–C coupling of hydroquinones with indoles over Ag2O and Fe3O4/povidone–phosphotungstic acid (PVP–PWA) catalysts using H2O2 in tetrahydrofuran at room temperature. Ag2O catalyzed the in situ oxidation of hydroquinone and 3-indolylhydroquinone intermediates, whereas ferrite solid acid, Fe3O4/PVP–PWA, with a 1:4:1 ratio of Fe3O4, PVP, and PWA, catalyzed the activation of quinones. The efficiency of this catalytic domino approach was established by a broad scope of substrates involving a variety of hydroquinones and quinones to give high yields (81–97%) of 3-indolylquinones. Fe3O4/PVP–PWA was separated magnetically, whereas simple filtration could separate Ag2O, both of which could be recycled several times without losing their activities.

10aCarbonyl compounds (organic); Electron microscopy; Fourier-transform spectroscopy; Redox reaction1 aKamble, Sumit, B.;1 aVyas, Praneet, P.1 aJayaram, Radha, V.;1 aRode, Chandrashekhar, V. uhttps://library.ncl.res.in/content/heterogeneously-catalyzed-domino-synthesis-3-indolylquinones-involving-direct-oxidative-c-c01415nas a2200193 4500008004100000245008900041210006900130260000800199300001400207490000600221520074600227100001800973700001700991700002101008700002201029700002101051700002901072856012001101 2017 eng d00aHexaphosphate-derived phosphorus-functionalized carbon for lithium-ion battery anode0 aHexaphosphatederived phosphorusfunctionalized carbon for lithium cJUL a5600-56070 v23 a

We show that high-temperature annealing of a dried hexaphosphate, namely phytic acid, renders activated (micro-porous) and phosphorus-functionalized graphene like carbon in a one-step process. At high enough temperature few volatile phosphates serve as porogen-forming entities while other groups reactively functionalize the carbon surface. The optimized material has high effective surface area due to the presence of defect states. As an anode material for Li-ion battery, it exhibits a reversible capacity that is double that of the graphite and is stable for 1000 cycles even at a high current of 5 A g(-1). This result is attributed to the concurrent presence of micropores and phosphorus containing groups in the carbon matrix.

1 aGawli, Yogesh1 aWahid, Malik1 aFernandez, Rohan1 aKothari, Dushyant1 aShelke, Manjusha1 aOgale, Satishchandra, B. uhttps://library.ncl.res.in/content/hexaphosphate-derived-phosphorus-functionalized-carbon-lithium-ion-battery-anode02079nas a2200145 4500008004100000245006800041210006800109260000800177300001600185490000800201520158800209100001801797700002301815856009501838 2017 eng d00aHidden electrostatic basis of dynamic allostery in a PDZ domain0 aHidden electrostatic basis of dynamic allostery in a PDZ domain cJUL aE5825-E58340 v1143 aAllosteric effect implies ligand binding at one site leading to structural and/or dynamical changes at a distant site. PDZ domains are classic examples of dynamic allostery without conformational changes, where distal side-chain dynamics is modulated on ligand binding and the origin has been attributed to entropic effects. In this work, we unearth the energetic basis of the observed dynamic allostery in a PDZ3 domain protein using molecular dynamics simulations. We demonstrate that electrostatic interaction provides a highly sensitive yardstick to probe the allosteric modulation in contrast to the traditionally used structure-based parameters. There is a significant population shift in the hydrogen-bonded network and salt bridges involving side chains on ligand binding. The ligand creates a local energetic perturbation that propagates in the form of dominolike changes in interresidue interaction pattern. There are significant changes in the nature of specific interactions (nonpolar/polar) between interresidue contacts and accompanied side-chain reorientations that drive the major redistribution of energy. Interestingly, this internal redistribution and rewiring of side-chain interactions led to large cancellations resulting in small change in the overall enthalpy of the protein, thus making it difficult to detect experimentally. In contrast to the prevailing focus on the entropic or dynamic effects, we show that the internal redistribution and population shift in specific electrostatic interactions drive the allosteric modulation in the PDZ3 domain protein.1 aKumawat, Amit1 aChakrabarty, Suman uhttps://library.ncl.res.in/content/hidden-electrostatic-basis-dynamic-allostery-pdz-domain01434nas a2200217 4500008004100000022001400041245010000055210006900155260000900224300001200233490000800245520067900253653001900932653002900951653002300980653002101003653001701024100002701041700001601068856013201084 2017 eng d a0167-577X00aHigh magnetostriction parameters of sintered and magnetic field annealed Ga-substituted CoFe2O40 aHigh magnetostriction parameters of sintered and magnetic field  cAPR  a169-1720 v1923 a

Impact of substitution of the non-magnetic ion Ga3+ for Fe3+ on the magnetostriction parameters of CoFe2O4 has been investigated for samples prepared by a tartrate-gel method. All the Ga-substituted compositions in CoGaxFe2-xO4 (0 <= x <= 0.3) showed higher strain sensitivity (d lambda/dH), at low magnetic fields, compared to that of the unsubstituted sample. The magnetostriction strain (lambda) and d lambda/dH of the composition CoGa0.1Fe1.9O4 could be enhanced from -228 to -296 ppm and -2.20 x 10(-9) to -3.55 x 10(-9) miA, respectively, at low magnetic fields, after magnetic field annealing at 300 degrees C. (C) 2016 Elsevier B.V. All rights reserved.

10aCobalt ferrite10aMagnetic field annealing10aMagnetic materials10aMagnetostriction10aSubstitution1 aAnantharamaiah, P., N.1 aJoy, P., A. uhttps://library.ncl.res.in/content/high-magnetostriction-parameters-sintered-and-magnetic-field-annealed-ga-substituted-cofe2o401788nas a2200193 4500008004100000245017200041210006900213260000800282520098400290100002401274700001701298700002601315700001901341700002701360700002401387700002201411700002901433856013201462 2017 eng d00aHigh quality hybrid perovskite semiconductor thin films with remarkably enhanced luminescence and defect suppression via quaternary alkyl ammonium salt based treatment0 aHigh quality hybrid perovskite semiconductor thin films with rem cJUL3 aSignificant enhancement in the luminescence and superior photophysical properties of CH3NH3PbBr3 thin films prepared via simple single step spin coating process involving a novel additive mediated solvent extraction step is reported. This process results in significantly lower disorder in CH3NH3PbBr3 perovskites with Urbach energies reducing from ≈35 to ≈17 meV, which is the lowest reported value to date. The additive mediated process also results in a remarkable improvement in the photoluminescence quantum yields (PLQYs) from 1% to 30%. Coupled with the overall increase in surface roughness, a significant increase in the internal PLQY from 7% to 77% is estimated, indicating the superior quality of the treated thin films. The resultant high quality CH3NH3PbBr3 perovskites with remarkable photophysical properties can be used in realizing highly efficient optoelectronic devices. Highly efficient light emitting diodes using these perovskites are demonstrated here.1 aNaphade, Rounak, A.1 aZhao, Baodan1 aRichter, Johannes, M.1 aBooker, Edward1 aKrishnamurthy, Shrreya1 aFriend, Richard, H.1 aSadhanala, Aditya1 aOgale, Satishchandra, B. uhttps://library.ncl.res.in/content/high-quality-hybrid-perovskite-semiconductor-thin-films-remarkably-enhanced-luminescence-and01785nas a2200193 4500008004100000245008000041210006900121260000800190300001200198490000600210520113400216100002301350700002601373700001801399700001701417700002401434700002101458856011201479 2017 eng d00aHigh-level supercapacitive performance of chemically reduced graphene oxide0 aHighlevel supercapacitive performance of chemically reduced grap cNOV a846-8600 v33 aReduction of graphene oxide (GO) is an important process because it holds promise for the production of reduced graphene oxide (rGO) with physicochemical properties similar to those of pristine graphene. In conventional chemical reduction, strong reducing agents, such as sodium borohydride and hydrazine, cannot be recycled. Also, fast reaction kinetics bring an imbalance in the desirable properties of rGO. Here, we present one-pot chemical reduction of GO in aqueous medium by an unconventional mild reducing agent (FeCl2/HCl) where rGOis isolated as the precipitate and the reducing agent is recycled upon simple treatment of the filtrate with HCl. The fabricated all-solid-state supercapacitors of as-synthesized rGO exhibited significantly higher specific capacitance than those obtained with rGO derived from conventional reducing agents. The cycling stability of the all-solid-state supercapacitor (> 80% retention of capacitance beyond 100,000 continued cycles) and its flexibility (> 500 bending cycles) were remarkable. Use of commercially available organic electrolyte further boosted the supercapacitor performance.1 aJha, Plawan, Kumar1 aSingh, Santosh, Kumar1 aKumar, Vikash1 aRana, Shammi1 aKurungot, Sreekumar1 aBallav, Nirmalya uhttps://library.ncl.res.in/content/high-level-supercapacitive-performance-chemically-reduced-graphene-oxide01316nas a2200181 4500008004100000245011300041210006900154260000800223300001200231490000700243520066800250100001900918700001800937700001800955700001800973700001900991856012401010 2017 eng d00aHighly active recyclable SBA-15-EDTA-Pd catalyst for Mizoroki-Heck, Stille and Kumada C-C coupling reactions0 aHighly active recyclable SBA15EDTAPd catalyst for MizorokiHeck S cAUG a837-8460 v243 aHighly efficient SBA-15-EDTA-Pd(11) heterogeneous catalyst was synthesized by covalent anchoring Pd-EDTA complex over organo-modified surface of SBA-15. SBA-15-EDTA-Pd(11) catalyst was found to exhibit excellent catalytic activity in appreciable yield for Heck, Stille and Kumada cross-coupling reactions. Catalytic system exhibited excellent activity for completion of reaction, isolation, Pd loading (0.87 mmol%) and yields of products as compared to earlier reported heterogeneous supported Pd catalysts. Covalently anchored heterogeneous SBA-15-EDTA-Pd(11) catalyst can be recycled for more than five times without noticeable loss in activity and selectivity.1 aRathod, Jayant1 aSharma, Priti1 aPandey, Punam1 aSingh, A., P.1 aKumar, Pradeep uhttps://library.ncl.res.in/content/highly-active-recyclable-sba-15-edta-pd-catalyst-mizoroki-heck-stille-and-kumada-c-c03292nas a2200145 4500008004100000245008300041210006900124260000800193490000600201520276400207100002002971700001702991700002403008856011403032 2017 eng d00aHigh-Performance Sensing Behavior Using Electronic Ink of 2D SnSe2 Nanosheets.0 aHighPerformance Sensing Behavior Using Electronic Ink of 2D SnSe cMAY0 v23 a

Most of the recent research work on layered chalcogenides is understandably focused on single atomic layers. However, it is uncertain if the single layer units are most ideal structures for enhanced gas-solid interactions. To probe this concern, we have synthesized few layer thick SnSe2 nanosheets ink using liquid exfoliation method. The morphology, thickness / layering and elemental analysis of the sheets were characterized by using SEM, TEM, AFM, Raman spectroscopy and by XPS. The two dimensional (2D) SnSe2 nanosheets sensor device with different thicknesses was assessed for the humidity and gas sensing performances with exposure to humidity in different conditions. The results show that compared to the bulk / thicker counterpart, sensor device of few SnSe2 layers exhibit excellent sensitivity, recovery and ability to be tune the sensing performance with thickness and can be used in lab on chip devices.

1 aPawar, Mahendra1 aKadam, Sunil1 aLate, Dattatray, J. uhttps://library.ncl.res.in/content/high-performance-sensing-behavior-using-electronic-ink-2d-snse2-nanosheets01888nas a2200181 4500008004100000245014700041210006900188260000800257300002500265490000600290520116900296100001801465700002201483700002201505700002501527700002401552856013001576 2017 eng d00aHigh-throughput mass spectrometry analysis revealed a role for glucosamine in potentiating recovery following desiccation stress in chironomus0 aHighthroughput mass spectrometry analysis revealed a role for gl cJUN aArticle Number: 36590 v73 aDesiccation tolerance is an essential survival trait, especially in tropical aquatic organisms that are vulnerable to severe challenges posed by hydroperiodicity patterns in their habitats, characterized by dehydration-rehydration cycles. Here, we report a novel role for glucosamine as a desiccation stress-responsive metabolite in the underexplored tropical aquatic midge, Chironomus ramosus. Using high-throughput liquid chromatography quadrupole time-of-flight mass spectrometry (LC-QToF-MS) analysis, biochemical assays and gene expression studies, we confirmed that glucosamine was essential during the recovery phase in C. ramosus larvae. Additionally, we demonstrated that trehalose, a known stress-protectant was crucial during desiccation but did not offer any advantage to the larvae during recovery. Based on our findings, we emphasise on the collaborative interplay of glucosamine and trehalose in conferring overall resilience to desiccation stress and propose the involvement of the trehalose-chitin metabolic interface in insects as one of the stress-management strategies to potentiate recovery post desiccation through recruitment of glucosamine.1 aThorat, Leena1 aOulkar, Dasharath1 aBanerjee, Kaushik1 aGaikwad, Sushama, M.1 aNath, Bimalendu, B. uhttps://library.ncl.res.in/content/high-throughput-mass-spectrometry-analysis-revealed-role-glucosamine-potentiating-recovery02536nas a2200181 4500008004100000022001400041245010800055210006900163260000800232300001400240490000600254520188300260100002002143700002502163700002202188700001802210856012602228 2017 eng d a2470-134300aHyaluronic acid layered chimeric nanoparticles: targeting MAPK-P13K signaling hub in colon cancer cells0 aHyaluronic acid layered chimeric nanoparticles targeting MAPKP13 cNOV a7868-78800 v23 a

Colon cancer has emerged as one of the most devastating diseases in the whole world. Mitogen-activated protein kinase (MAPK)-phosphatidylinsitol-3-kinase (PI3K) signaling hub has gained lots of attention due to its deregulation in colon cancer cells. However, selective targeting of oncogenic MAPK-PI3K hub in colon cancer has remained highly challenging, hence it has mostly been unexplored. To address this, we have engineered a hyaluronic acid layered lipid-based chimeric nanoparticle (HA-CNP) consisting of AZD6244 (MAPK inhibitor), PI103 (PI3K inhibitor), and cisplatin (DNA impairing drug) ratiometrically in a single particle. Electron microscopy (field emission scanning electron microscopy and atomic force microscopy) and dynamic light scattering were utilized to characterize the size, shape, morphology, and surface charge of the HA-CNPs. Fluorescent confocal laser scanning microscopy and flow cytometry analysis confirmed that HA-CNPs were taken up by HCT-116 colon cancer cells by merging of clathrin and CD44 receptor-mediated endocytosis along with macropinocytosis to home into acidic organelles (lysosomes) within 1 h. A gel electrophoresis study evidently established that HA-CNPs simultaneously inhibited MAPK-PI3K signaling hub with DNA damage in HCT-116 cells. These HA-CNPs stalled the cell cycle into G0/G1 phase, leading to induction of apoptosis (early and late) in colon cancer cells. Finally, these HA-CNPs exerted remarkable cytotoxicity in HCT-116 colon cancer cells at 24 h compared to that of the free triple drug cocktail as well as HA-coated dual drug-loaded nanoparticles without showing any cell death in healthy L929 fibroblast cells. These HA-coated CNPs have potential to be translated into clinics as a novel platform to perturb various oncogenic signaling hubs concomitantly toward next-generation targeted colon cancer therapy.

1 aPalvai, Sandeep1 aKuman, Meenu, Mahesh1 aSengupta, Poulonu1 aBasu, Sudipta uhttps://library.ncl.res.in/content/hyaluronic-acid-layered-chimeric-nanoparticles-targeting-mapk-p13k-signaling-hub-colon01748nas a2200133 4500008004100000245015000041210006900191260000800260300001200268490000800280520117900288100002101467856012601488 2017 eng d00aHybrid equation-of-motion coupled-cluster/effective fragment potential method: a route toward understanding photoprocesses in the condensed phase0 aHybrid equationofmotion coupledclustereffective fragment potenti cDEC a741-7520 v1213 a

The prediction of accurate solvatochromic shifts to the electronic excited states of chromophores is a challenge, especially in the complex biological phase, due to the importance of long-range electrostatic interactions. Hybrid quantum mechanical/molecular mechanical (QM/MM) methods are generally employed for the calculation of quantum mechanical properties in complex systems. To be predictive, there is need for an accurate quantum mechanical method that can depict the charge transfer states correctly and incorporate higher than single excited determinants in its linear response ansatz. On the contrary, for the correct depiction of the environment interactions (MM region), one needs to account for polarizability in a balanced manner. These two challenges are successfully addressed by the recently developed hybrid quantum mechanical/effective fragment potential (QM/EFP) methods, with equation-of-motion coupled-cluster (EOM-CC) as the QM method of choice. The result is an efficient method to estimate excitation energy, ionization energy, electron affinity, and redox potential in the condensed phase. It has further been extended to biological systems.

1 aGhosh, Debashree uhttps://library.ncl.res.in/content/hybrid-equation-motion-coupled-clustereffective-fragment-potential-method-route-toward02168nas a2200205 4500008004100000245010200041210006900143260000800212490000800220520142500228100002201653700002301675700001701698700002401715700002501739700001901764700002401783700002501807856013001832 2017 eng d00aHybrids of thienopyrimidinones and thiouracils as anti-tubercular agents: SAR and docking studies0 aHybrids of thienopyrimidinones and thiouracils as antitubercular cJAN0 v1273 a

A number of hybrid molecules containing thienopyrimidinones and thiouracil moieties were designed, synthesized and tested against Mycobacterium tuberculosis H37Ra wherein it was observed that the compounds 11-1514 exhibited antitubercular activity in vitro (MIC 7.6–19.1 μg/ml, 12–35 μM) against dormant stage while compound 15 exhibited antitubercular activity in vitro against dormant (MIC 23.4 μg/ml, 41 μM) as well as active (MIC 25.4 μg/ml, 45 μM) stage. Structural modifications of compound 15 were carried out to study the structure-activity relationship and it was observed that compound 18 exhibited antitubercular activity comparable to compound 15. Cytotoxicity studies revealed that these molecules were non-toxic. The docking study of compound 15 showed that there was binding with the active site of mycobacterial pantothenate synthetase. Further docking studies led to the synthesis of the compounds 16 and 17 and the antitubercular activity screening results showed that these compounds have significant antitubercular activity. The compounds 15-18 (MIC 11–29 μg/ml, 19–51 μM) can be used as starting points for further optimization. The synthetic strategies used in the present work have potential to prepare a large number of compounds for further refinement of structures and the present results will be very useful in the development of a new class of antimycobacterial agents.

1 aPisal, Mahesh, M.1 aNawale, Laxman, U.1 aPatil, Manoj1 aBhansali, Sujit, G.1 aGajbhiye, Jayant, M.1 aSarkar, Dhiman1 aChavan, Subhash, P.1 aBorate, Hanumant, B. uhttps://library.ncl.res.in/content/hybrids-thienopyrimidinones-and-thiouracils-anti-tubercular-agents-sar-and-docking-studies01810nas a2200169 4500008004100000020002000041245004300061210004300104260002800147300001000175490000600185520132800191100001701519700001401536700001501550856007501565 2017 eng d a978-012803199-500aHydrogen bonding in molecular crystals0 aHydrogen bonding in molecular crystals aSingapurbElsevier Inc. a25-480 v73 aThe hydrogen bond is an important intermolecular interaction in chemical, biological, and materials systems. A proper understanding of noncovalent interactions, notably hydrogen bonds between molecules in supramolecular aggregates, is essential for the design of crystalline materials and new supramolecular systems with desired physical and chemical properties. The International Union of Pure and Applied Chemistry provided a broadly acceptable and yet fairly precise definition of the hydrogen bond in 2011. Knowledge of weak intermolecular interactions and hydrogen bonding has immediate applications in the discovery of new medicines and in the development of novel and biocompatible pharmaceutical products and implants for the next wave of innovations. In this article, we summarize a tutorial background of the hydrogen-bond interaction and then present examples of molecular crystals sustained by this interaction and the role of hydrogen bonding in directing the structural organization. The examples are meant to illustrate the different facets of hydrogen bonding in crystal structures, their design, and properties. We close with some of the new techniques for structure determination for very small or weakly diffracting crystals, as is often the case for supramolecular materials and pharmaceutical products.1 aThakuria, R.1 aSarma, B.1 aNangia, A. uhttps://library.ncl.res.in/content/hydrogen-bonding-molecular-crystals02690nas a2200157 4500008004100000245010900041210006900150260000800219300001400227490000700241520211300248100001402361700001302375700001502388856012902403 2017 eng d00aHydrogen production from reforming of biogas: review of technological advances and an Indian perspective0 aHydrogen production from reforming of biogas review of technolog cSEP a1032-10520 v763 a

This paper examines the benefits and potential of biogas generation and uses in India, with focus on advances made in hydrogen production by catalytic reforming technologies with steam, O2, and CO2 as the oxidants. Utilization of biomass by means of generating biogas is one of the easiest and cost effective methods of harnessing renewable energy. As India is an agricultural country, a tremendous amount of biomass and livestock waste is generated every year. Likewise the large population of India generates much food and municipal solid waste that is not being utilized for biogas generation. Fuel cells are one of the effective means of utilizing biogas, although the synthesis gas or hydrogen generated from biogas can also be used in internal combustion engines. Higher efficiency of fuel cells (45%) compared to internal combustion engines (30%) and even higher with co-generation systems (70%) make them highly desirable for biogas utilization for power generation. Investigations of hydrogen productionfor fuel cell use are in their infancy stage in India. Apart from a few scattered investigations not much work has been undertaken in the area of research. Large scale hydrogen production is achieved by steam reforming of hydrocarbons, in particular natural gas. Although the process is a proven technology it has come under considerable scrutiny due to its environmental impact and the energy intensive nature of the process. Several technical and scientific challenges have to be overcome for assimilation of the technology for hydrogen production from biogas and wide scale application in India. These challenges include development of less energy intensive features, highly active and poisons-resistant catalyst, and fuel cell development for utilization of biogas generated hydrogen. Hydrogen production from reforming of biogas: Review of technological advances and an Indian perspective. Available from: https://www.researchgate.net/publication/315896154_Hydrogen_production_from_reforming_of_biogas_Review_of_technological_advances_and_an_Indian_perspective [accessed Oct 16 2017].

1 aNahar, G.1 aMote, D.1 aDupont, V. uhttps://library.ncl.res.in/content/hydrogen-production-reforming-biogas-review-technological-advances-and-indian-perspective01327nas a2200181 4500008004100000245007000041210006800111260000800179300001200187490000800199520078500207100001300992700002901005700002301034700001501057700001901072856005401091 2017 eng d00aHydrogenolysis of sorbitol over Ni, Pt and Ru supported on SBA-150 aHydrogenolysis of sorbitol over Ni Pt and Ru supported on SBA15 cFEB a226-2310 v56 3 aHydrogenolysis of sorbitol (15% aqueous solution) has been carried out in a batch reactor over Ni (6 wt%), Pt (1 wt%) and Ru (1 wt%) supported on SBA-15 and carbon coated SBA-15 (SBA-15(C)). For comparison, the three metals have also been supported on activated carbon (AC). The catalysts are characterized by XRD, N-2 and H-2 adsorption measurements. Addition of Ca(OH)(2) to the reaction mixture increases conversion and selectivity for the dihydroxy compounds, 1,2-propanediol (PD) and ethylene glycol (EG). Based on yield of dihydric alcohols (PD+EG), the performance of the catalysts at 220 degrees C and 60 bar in the presence of Ca(OH)(2) is in the order: Ru-AC similar to Ru-SBA-15(C) > Ru-SBA-15 similar to Ni-SBA-15, the yields being 40, 39, 31 and 29 wt%, respectively.1 aBanu, M.1 aSankaranarayanan, T., M.1 aVenuvanalingam, P.1 aMagesh, G.1 aSivasanker, S. uhttp://nopr.niscair.res.in/handle/123456789/4090301593nas a2200145 4500008004100000245010200041210007100143260000800214300000800222490000600230520102200236100002601258700002401284856013901308 2017 eng d00aHydrothermally reduced nano porous graphene–polyaniline nanofiber composites for supercapacitor0 aHydrothermally reduced nano porous graphene–polyaniline nanofibe cJAN a1-50 v13 aHydrothermally reduced porous graphene (PGs) and polyaniline (PANI) nanofiber composites (PGs?PANI) were prepared by interfacial polymerization of aniline in the presence of reduced porous graphene (PGs) under acidic conditions. Hydrothermal reduction of graphene oxide (GO) produced graphene quantum dots (GQDs) along with porous reduced graphene (PGs). The removal of nano sized GQDs generate several round shaped edges in the graphene, which facilitated improved charge storage. In addition to preparation of porous graphene, we developed an approach to process the PGs. We envisioned preparing conjugated polymer as processing material. The capacitive behavior of PGs was characterized using cyclic voltammetry (CV) and galvanostatic charge?discharge (GCD) techniques. The specific capacitance of hydrothermally reduced GO (PGs) and PGs?PANI composites was 185 F/g and 357 F/g at 0.1 A/g in 1 M H2SO4 electrolyte. The energy density of PGs?PANI composite was obtained 49.58 W h/kg at a power density of 71.8 W/kg.1 aChini, Mrinmoy, Kumar1 aChatterjee, Shyambo uhttps://library.ncl.res.in/content/hydrothermally-reduced-nano-porous-graphene%E2%80%93polyaniline-nanofiber-composites-supercapacitor01282nas a2200169 4500008004100000245015700041210006900198260000800267300001400275490000900289520060200298100002400900700001900924700002400943700001900967856012600986 2018 eng d00aHarnessing nucleophilicity of allenol ester with p-quinone methides via gold catalysis: application to the synthesis of diarylmethine-substituted enones0 aHarnessing nucleophilicity of allenol ester with pquinone methid cAUG a9353-93630 v83 3 aA gold(I)-catalyzed protocol for intermolecular 1,6-conjugate addition of nucleophilic allenol ester generated in situ through [3,3]-sigmatropic rearrangement with p-quinone methides (p-QMs) has been developed. The gold catalyst plays a dual role by the pi-acid-triggered activation of alkynes and at the same time as a Lewis acid for activation of p-QMs toward nucleophilic attack. This method enables rapid access to a wide range of densely functionalized diarylmethine-substituted enones, a Morita-Baylis-Hillman (MBH) product with high selectivity, excellent yields, and broad substrate scope.1 aSharma, Brijesh, M.1 aRathod, Jayant1 aGonnade, Rajesh, G.1 aKumar, Pradeep uhttps://library.ncl.res.in/content/harnessing-nucleophilicity-allenol-ester-p-quinone-methides-gold-catalysis-application01971nas a2200157 4500008004100000022001400041245010800055210006900163260000900232300001400241490000800255520136400263100002801627700003001655856012801685 2018 eng d a1932-744700aHarnessing visible-light and limited near-IR photons through plasmon effect of gold nanorod with AgTiO20 aHarnessing visiblelight and limited nearIR photons through plasm cJAN  a1206-12140 v1223 a

The utilization of the red-green-blue (RGB) and limited near-IR photons for solar hydrogen evolution (SHE) has been reported in a single plasmonic nanocomposite. Present study describes the use of AgTiO2 (AgT) decorated with Au nanorods (AgT-AuNR) to enhance the absorption of entire visible-light and limited near-IR wavelength range in the sunlight for SHE from photocatalytic water splitting reaction. It is demonstrated that the longitudinal plasmon resonance of AuNR in AgT-AuNR induces SHE between 550 and 800 nm, whereas TiO2-AuNR or AgT shows no activity in this wavelength range. The key aspect of achieving the high photocatalytic activity of AgT-AuNR in the solar spectrum is the electronic integration among metal NPs as well as with TiO2, and the heterojunctions among them. Presence of such heterojunctions has been supported by different characterization studies. However, gold nanorod exhibits field effect and further enhances light harvesting. Although the absolute amount of energy harvested only from near-IR photons is low, when combined with high-energy visible-light photons within one sun conditions, it shows a multiplier effect rather than a simple additive effect. Likely, this is the first report, where SHE has been achieved with significant amount of light absorption at lambda >= 550 nm with a plasmonic nanocomposite.

1 aPatra, Kshirodra, Kumar1 aGopinath, Chinnakonda, S. uhttps://library.ncl.res.in/content/harnessing-visible-light-and-limited-near-ir-photons-through-plasmon-effect-gold-nanorod01217nas a2200181 4500008004100000245010000041210006900141260000800210300001400218490000600232520053900238100002800777700002600805700002200831700002400853700002800877856013000905 2018 eng d00aHelically structured peptide architecture engineered using dimedone as a rigid organic scaffold0 aHelically structured peptide architecture engineered using dimed cMAR a2776-27800 v33 aThis communication reports the use of a rigid organic scaffold to attach two unsymmetrical peptide chains on a single carbon atom. The approach describes the step-by-step attachment of peptide chains to the rigid dimedone template (5,5-dimethyl-1,3-cyclohexanedione) - a molecular scaffold that directs orientation of the peptide helices in a well-defined arrangement via intra-molecular hydrogen bonding. The overall topology of the final molecules was studied using CD spectroscopy which suggested existence of helical architecture.1 aNadimpally, Krishna, C.1 aMadica, Krishnaprasad1 aKotmale, Amol, S.1 aGonnade, Rajesh, G.1 aSanjayan, Gangadhar, J. uhttps://library.ncl.res.in/content/helically-structured-peptide-architecture-engineered-using-dimedone-rigid-organic-scaffold02343nas a2200217 4500008004100000245013000041210006900171260000800240300002800248490000600276520153100282100002101813700001801834700002201852700002601874700002301900700001801923700002501941700003001966856012901996 2018 eng d00aHigh and reversible lithium ion storage in self-exfoliated triazole-triformyl phloroglucinol-basedcovalent organic nanosheets0 aHigh and reversible lithium ion storage in selfexfoliated triazo cMAR aArticle Number: 17021700 v83 aCovalent organic framework (COF) can grow into self-exfoliated nanosheets. Their graphene/graphite resembling microtexture and nanostructure suits electrochemical applications. Here, covalent organic nanosheets (CON) with nanopores lined with triazole and phloroglucinol units, neither of which binds lithium strongly, and its potential as an anode in Li-ion battery are presented. Their fibrous texture enables facile amalgamation as a coin-cell anode, which exhibits exceptionally high specific capacity of approximate to 720 mA h g(-1) (@100 mA g(-1)). Its capacity is retained even after 1000 cycles. Increasing the current density from 100 mA g(-1) to 1 A g(-1) causes the specific capacity to drop only by 20%, which is the lowest among all high-performing anodic COFs. The majority of the lithium insertion follows an ultrafast diffusion-controlled intercalation (diffusion coefficient, D-Li(+) = 5.48 x 10(-11) cm(2) s(-1)). The absence of strong Li-framework bonds in the density functional theory (DFT) optimized structure supports this reversible intercalation. The discrete monomer of the CON shows a specific capacity of only 140 mA h g(-1) @50 mA g(-1) and no sign of lithium intercalation reveals the crucial role played by the polymeric structure of the CON in this intercalation-assisted conductivity. The potentials mapped using DFT suggest a substantial electronic driving-force for the lithium intercalation. The findings underscore the potential of the designer CON as anode material for Li-ion batteries.1 aHaldar, Sattwick1 aRoy, Kingshuk1 aNandi, Shyamapada1 aChakraborty, Debanjan1 aPuthusseri, Dhanya1 aGawli, Yogesh1 aOgale, Satishchandra1 aVaidhyanathan, Ramanathan uhttps://library.ncl.res.in/content/high-and-reversible-lithium-ion-storage-self-exfoliated-triazole-triformyl-phloroglucinol02117nas a2200385 4500008004100000022001400041245008700055210006900142260000800211300001200219490000800231520091600239653001501155653001901170653000901189653002301198653002101221100002701242700001801269700002101287700002801308700002101336700002201357700002401379700002501403700002501428700002301453700001901476700002401495700002801519700002301547700002101570700002801591856011201619 2018 eng d a0254-058400aHigh surface area nanoporous carbon derived from high quality jute from Bangladesh0 aHigh surface area nanoporous carbon derived from high quality ju cSEP a491-4950 v2163 a

We report an economically viable and environment-friendly strategy for the preparation of nanoporous carbon (NC) from jute which is one of the most abundant natural fibers produced in Bangladesh and some South Asian countries. Nitrogen adsorption-desorption isotherms, X-ray diffraction, Raman spectroscopy, UV spectroscopy, and scanning/transmission electron microscopy were performed to characterize the obtained NC. Three different types of jute-derived NCs have been synthesized at three different temperatures, 700 degrees C, 800 degrees C and 900 degrees C. The NC prepared at 800 degrees C resulted in a high surface area (981 m(2) g(-2)) and was associated with the retention of the original fibrous shapes. This study shows a promising future for jute as a natural precursor for NCs for a myriad of applications ranging from water purification to gas separation to energy conversion and storage.

10aAdsorbents10aGraphitization10aJute10aNanoporous carbons10aporous materials1 aKhan, Junayet, Hossain1 aLin, Jianjian1 aYoung, Christine1 aMatsagar, Babasaheb, M.1 aWu, Kevin, C. W.1 aDhepe, Paresh, L.1 aIslam, Md, Tofazzal1 aRahman, Md, Mahbubur1 aShrestha, Lok, Kumar1 aAlshehri, Saad, M.1 aAhamad, Tansir1 aSalunkhe, Rahul, R.1 aKumar, Nanjundan, Ashok1 aMartin, Darren, J.1 aYamauchi, Yusuke1 aHossain, Md, Shahriar A uhttps://library.ncl.res.in/content/high-surface-area-nanoporous-carbon-derived-high-quality-jute-bangladesh02393nas a2200145 4500008004100000245012200041210006900163260000800232300001600240490000600256520181900262100001702081700001902098856013002117 2018 eng d00aHigh yield production of cellulose by a komagataeibacter rhaeticus PG2 strain isolated from pomegranate as a new host0 aHigh yield production of cellulose by a komagataeibacter rhaetic cAUG a29797-298050 v83 aGluconacetobacter xylinus is a well-known organism that produces bacterial cellulose (BC). The present study was undertaken to find an alternative bacteria from a collection of 216 bacterial isolates, which were isolated from different rotten fruits and fermented beverages, to find a better producer of bacterial cellulose. We obtained a potent strain, which produced a high yield of BC from a rotten pomegranate sample, and was further identified as Komagataeibacter rhaeticus strain PG2 using 16S rRNA gene sequence analysis. To date, only two strains of Komagataeibacter rhaeticus are known to produce BC, and these were mainly isolated from a fermented beverage, kombucha. For the first time, we have isolated a BC producing Komagataeibacter rhaeticus strain PG2 from a rotten pomegranate sample. The new host environment and the substrate utilization pattern of strain PG2 reveal efficient bacterial cellulose production. Hestrin–Schramm (HS) liquid media containing glycerol as a carbon source resulted in the highest BC production (∼6.9 g L−1). A further increased yield of BC (∼8.7 g L−1) was obtained by using 3% (w/v) glycerol concentration, and this BC yield is the highest reported among any of the known Komagataeibacter rhaeticus strains reported. A detailed physico-chemical characterization of the BC membrane obtained from glycerol (Gly-BC) and glucose (Glc-BC) was performed. Interestingly, Gly-BC is found to be more compact and more crystalline in its nature compared to Glc-BC. The present study reveals the isolation of an efficient BC synthesizing strain using glycerol as a low-cost carbon source, confirming the economic feasibility of BC production. The structural characteristics of the BC membrane produced by glycerol were found to be more suitable for various applications.1 aThorat, M.N.1 aDastager, S.G. uhttps://library.ncl.res.in/content/high-yield-production-cellulose-komagataeibacter-rhaeticus-pg2-strain-isolated-pomegranate01900nas a2200193 4500008004100000022001400041245011600055210006900171260000800240300001300248490000700261520120700268100001901475700002001494700002301514700001601537700002801553856012501581 2018 eng d a1545-788500aHighly diverged novel subunit composition of apicomplexan F-type ATP synthase identified from Toxoplasma gondii0 aHighly diverged novel subunit composition of apicomplexan Ftype  cJUL ae20061280 v163 a

The mitochondrial F-type ATP synthase, a multisubunit nanomotor, is critical for maintaining cellular ATP levels. In T. gondii and other apicomplexan parasites, many subunit components necessary for proper assembly and functioning of this enzyme appear to be missing. Here, we report the identification of 20 novel subunits of T. gondii F-type ATP synthase from mass spectrometry analysis of partially purified monomeric (approximately 600 kDa) and dimeric (> 1 MDa) forms of the enzyme. Despite extreme sequence diversification, key F-O subunits a, b, and d can be identified from conserved structural features. Orthologs for these proteins are restricted to apicomplexan, chromerid, and dinoflagellate species. Interestingly, their absence in ciliates indicates a major diversion, with respect to subunit composition of this enzyme, within the alveolate clade. Discovery of these highly diversified novel components of the apicomplexan F-type ATP synthase complex could facilitate the development of novel antiparasitic agents. Structural and functional characterization of this unusual enzyme complex will advance our fundamental understanding of energy metabolism in apicomplexan species.

1 aSalunke, Rahul1 aMourier, Tobias1 aBanerjee, Manidipa1 aPain, Arnab1 aShanmugam, Dhanasekaran uhttps://library.ncl.res.in/content/highly-diverged-novel-subunit-composition-apicomplexan-f-type-atp-synthase-identified01894nas a2200277 4500008004100000245008400041210006900125260000800194300001400202490000600216520105900222100001701281700001601298700001701314700001701331700001701348700001501365700001501380700001601395700001601411700002001427700001501447700001701462700002101479856011601500 2018 eng d00aHighly efficient field emission properties of radially aligned carbon nanotubes0 aHighly efficient field emission properties of radially aligned c cMAY a6584-65900 v63 aHere, we report extraordinary field emission properties from one pot synthesized aligned carbon nanotubes endowed with related Fe nanoparticles (NPs). The CNT configuration is in the form of a carbon hollow cylinder (CHC) with CNTs radially aligned towards the CHC axis. The structure generates electron field emission properties such as an ultralow turn on field (0.35 V μm−1 at 10 μA cm−2), a low threshold field (0.41 V μm−1 at 100 μA cm−2) and a high field emission current density (7.71 mA cm−2 at 0.78 V μm−1). It also exhibits multi-fold improvement in the field enhancement factor (1.34 × 104) with highly stable current emission at 100 μA measured for 14 h. No post synthesis treatment is required for enhanced field emission characteristics. The growth related Fe NPs assist in lowering the work function and hence enhancing the field emission properties. The possibility of assembling nano-structured field emitters into macroscale architectures suggests new prospects for next generation three dimensional electron sources.1 aTripathi, P.1 aGupta, B.K.1 aBhatnagar, A1 aPatel, C.R.P1 aBanker, P.K.1 aLate, D.J.1 aMore, M.A.1 aLalla, N.P.1 aPhase, D.M.1 aChoudhary, R.J.1 aShaz, M.A.1 aAjayan, P.M.1 aSrivastava, O.N. uhttps://library.ncl.res.in/content/highly-efficient-field-emission-properties-radially-aligned-carbon-nanotubes02225nas a2200217 4500008004100000022001300041245011400054210006900168260000800237300001400245490000600259520147800265100002101743700001801764700001601782700001801798700002101816700002001837700001801857856013201875 2018 eng d a2047483000aHighly reactive crystalline-phase-embedded strontium-bioactive nanorods for multimodal bioactive applications0 aHighly reactive crystallinephaseembedded strontiumbioactive nano cJUL a1764-17760 v63 aIn the present work, a crystallization-induced strontium-bioactive material, with a composition similar to Bioglass 45S5 system, was obtained using a sol-gel-assisted microwave method with nanorod morphologies of 30-80 nm in size. The effect of crystallization induced in the glass network, and its influence on the bioactivity and mechanical properties of bone and dentin regeneration, were the main novel findings of this work. Rietveld analysis of X-ray diffraction spectra showed the best fit with sodium (combeite, Na2Ca2Si3O9) and calcium (clinophosinaite, Ca2Na6O14P2Si2; calcium strontium silicate, Ca1.5O4SiSr0.5; and calcium carbonate, CaCO3) enriched crystal systems. Multinuclear solid-state NMR studies provided detailed atomistic insight into the presence of crystalline mineral phases in the bioactive material. The dentin matrix and antibacterial studies showed good results for 5% strontium-substituted calcium compared with basic 45S5 composition due to its smaller particle size (30 nm), which suggested applications to dentin regeneration. Simulation studies have been demonstrated with clinophosinaite crystal data from the XRD spectra, with the glycoprotein salivary metabolites also showing that 5% strontium-substituted calcium has a higher binding affinity for the salivary compound, which is suitable for dentin regeneration applications. In vitro apatite formation studies showed that this material is suitable for bone regeneration applications.1 aDurgalakshmi, D.1 aRakkesh, Ajay1 aKesavan, M.1 aGanapathy, S.1 aAjithkumar, T.G.1 aKarthikeyan, S.1 aBalakumar, S. uhttps://library.ncl.res.in/content/highly-reactive-crystalline-phase-embedded-strontium-bioactive-nanorods-multimodal-bioactive01427nas a2200157 4500008004100000245010500041210006900146260000800215300001000223490000700233520085200240100001801092700001701110700001801127856012401145 2018 eng d00aHighly selective aqueous phase hydrogenation of phenols over nanostructured RuO2 on MCM-41 catalysts0 aHighly selective aqueous phase hydrogenation of phenols over nan cFEB a36-430 v133 aSelective aqueous phase hydrogenation of phenol as well as its derivatives is important for the synthesis of chemical intermediates which are crucial for the manufacture of high-tonnage commodities and a multitude of value added platform chemicals. Herein, we report a facile catalyst made of highly dispersed small RuO2 nanoparticles supported on mesoporous MCM-41 using one-pot approach. The optimal 5RuO2-MCM-41 catalyst with particle size 6-8 nm showed excellent activity and selectivity in aqueous phase hydrogenation of phenol and other functionalized substrates, which are building blocks of lignin, to corresponding cyclohexanol products without any additives. These catalysts showed better stability and can be reused several times without any significant drop in activity which proves the heterogeneity of the immobilized oxide catalyst.1 aBetsy, K., J.1 aLazar, Anish1 aVinod, C., P. uhttps://library.ncl.res.in/content/highly-selective-aqueous-phase-hydrogenation-phenols-over-nanostructured-ruo2-mcm-4102314nas a2200205 4500008004100000245014500041210006900186260000800255490000700263520153500270100002101805700002601826700001701852700001801869700002801887700002501915700001601940700003001956856012201986 2018 eng d00aHighly stable COF-supported Co/Co(OH)(2) nanoparticles heterogeneous catalyst for reduction of nitrile/nitro compounds under mild conditions0 aHighly stable COFsupported CoCoOH2 nanoparticles heterogeneous c cSEP0 v143 aOrdered nanoporosity in covalent organic framework (COF) offers excellent opportunity for property development. Loading nanoparticles (nPs) onto them is one approach to introducing tailor-made properties into a COF. Here, a COF-Co/Co(OH)(2) composite containing about 16 wt% of <6 nm sized Co/Co(OH)(2) nPs is prepared on a N-rich COF support that catalyzes the release of theoretical equivalence of H-2 from readily available, safe, and cheap NaBH4. Furthermore, the released H-2 is utilized for the hydrogenation of nitrile and nitro compounds to amines under ambient conditions in a facile one-pot reaction. The COF "by choice" is built from "methoxy" functionalized dialdehydes which is crucial in enabling the complete retention of the COF structure under the conditions of the catalysis, where the regular Schiff bonds would have hydrolyzed. The N-rich binding pockets in the COF ensure strong nP-COF interactions, which provides stability and enables catalyst recycling. Modeling studies reveal the crucial role played by the COF in exposing the active facets and thereby in controlling the activation of the reducing agent. Additionally, via density functional theory, we provide a rational explanation for how these COFs can stabilize nanoparticles which grow beyond the limiting pore size of the COF and yet result in a truly stable heterogeneous catalyst - a ubiquitous observation. The study underscores the versatility of COF as a heterogeneous support for developing cheap and highly active nonnoble metal catalysts.1 aMullangi, Dinesh1 aChakraborty, Debanjan1 aPradeep, Anu1 aKoshti, Vijay1 aVinod, Chathakudath, P.1 aPanja, Soumendranath1 aNair, Sunil1 aVaidhyanathan, Ramanathan uhttps://library.ncl.res.in/content/highly-stable-cof-supported-cocooh2-nanoparticles-heterogeneous-catalyst-reduction02321nas a2200313 4500008004100000022001400041245011600055210006900171260000800240300001100248490000600259520127500265100002401540700002001564700002501584700001901609700002801628700002401656700001801680700001701698700002801715700001901743700002301762700002301785700002301808700002201831700002401853856013001877 2018 eng d a2158-322600aHigh-performance field emission device utilizing vertically aligned carbon nanotubes-based pillar architectures0 aHighperformance field emission device utilizing vertically align cJAN a0151170 v83 a

The vertical aligned carbon nanotubes (CNTs)-based pillar architectures were created on laminated silicon oxide/silicon (SiO2/Si) wafer substrate at 775 degrees C by using water-assisted chemical vapor deposition under low pressure process condition. The lamination was carried out by aluminum (Al, 10.0 nm thickness) as a barrier layer and iron (Fe, 1.5 nm thickness) as a catalyst precursor layer sequentially on a silicon wafer substrate. Scanning electron microscope (SEM) images show that synthesized CNTs are vertically aligned and uniformly distributed with a high density. The CNTs have approximately 2-30 walls with an inner diameter of 3-8 nm. Raman spectrum analysis shows G-band at 1580 cm(-1) and D-band at 1340 cm(-1). The G-band is higher than D-band, which indicates that CNTs are highly graphitized. The field emission analysis of the CNTs revealed high field emission current density (4mA/cm(2) at 1.2V/mu m), low turn-on field (0.6 V/mu m) and field enhancement factor (6917) with better stability and longer lifetime. Emitter morphology resulting in improved promising field emission performances, which is a crucial factor for the fabrication of pillared shaped vertical aligned CNTs bundles as practical electron sources. (c) 2018 Author(s).

1 aGupta, Bipin, Kumar1 aKedawat, Garima1 aGangwar, Amit, Kumar1 aNagpal, Kanika1 aKashyap, Pradeep, Kumar1 aSrivastava, Shubhda1 aSingh, Satbir1 aKumar, Pawan1 aSuryawanshi, Sachin, R.1 aSeo, Deok, Min1 aTripathi, Prashant1 aMore, Mahendra, A.1 aSrivastava, O., N.1 aHahm, Myung, Gwan1 aLate, Dattatray, J. uhttps://library.ncl.res.in/content/high-performance-field-emission-device-utilizing-vertically-aligned-carbon-nanotubes-based02831nas a2200193 4500008004100000022001500041245013300056210006900189260000800258300001400266490000700280520208100287100002402368700002402392700002702416700003902443700002702482856012802509 2018 eng d a 2192-650600a Homo- and heterodimeric dyes for dye-sensitized solar cells: panchromatic light absorption and modulated open circuit potential0 aHomo and heterodimeric dyes for dyesensitized solar cells panchr cNOV a 998-10070 v833 aThe design of dyes for panchromatic light absorption has attracted much attention in the field of dye-sensitized solar cells (DSSCs). An approach to enhance panchromatic light absorption utilizes mixtures of complementary light-absorbing dyes as well as dyes with specific anchoring groups that facilitate interfacial charge transfer with TiO2. Dipole-dipole interactions between the dye molecules on the surface broaden the spectrum, which results in decreased DSSC device performance. However, controlled aggregation of dyes results in broadening the spectral profile along with enhanced photocurrent generation. To control the dye-dye interaction, dimeric dyes with different dipole lengths D-1-D-sq, D-sq-D(sq)were systematically designed and synthesized. The photophysical and electrochemical properties were evaluated and the E-HOMO and E-LUMO levels were determined; these energy levels determines the electron injection from E-LUMO of the dye to E-CB of TiO2 and regeneration of oxidized dye by the electrolyte, respectively. The absorption spectra of D-sq-D-sq, D-1-D-sq were broadened in solution compared to model dye D-sq; this indicates that the dye-dye interaction is prominent in solution. In D-1-D-sq excitation energy transfer between photoexcited D-1 and D-sq was explained by using Forster resonance energy transfer (FRET). The homodimeric dye showed a device performace of 2.8 % (V-oc 0.607, J(sc) 6.62 mA/cm(2), ff 69.3 %),whereas the heterodimeric dye D-1-D-sq showed a device performance of 3.9 % (V-oc 0.652 V, J(sc) 8.89 mA/cm(2), ff 68.8 %). The increased photocurrent for D-1-D(sq)is due to the panchromatic IPCE response compared to D-sq-D-sq. The increased V(oc)is due to the effective passivation of the TiO2 surface by the spirolinker, and the effective dipole moment that shifts the conduction band on TiO2. Hence, the open circuit potential, V-oc, for the devices prepared from D-sq, D-1-D-sq and D-sq-D(sq)were systematically modulated by controlling the intermolecular pi-pi and intramolecular dipole-dipole interactions of the dimeric dyes.1 aSil, Manik, Chandra1 aSudhakar, Vediappan1 aSingh, Ambarish, Kumar1 aKavungathodi, Munavvar, Fairoos Me1 aNithyanandhan, Jayaraj uhttps://library.ncl.res.in/content/homo-and-heterodimeric-dyes-dye-sensitized-solar-cells-panchromatic-light-absorption-and02463nas a2200157 4500008004100000245014900041210006900190260000800259300001400267490000700281520182100288100002902109700002302138700002202161856012202183 2018 eng d00a HPW anchored Meso-HZ-5, a novel catalyst for selective synthesis of ethyl levulinate biofuel by alcoholysis of biomass-derived furfuryl alcohol0 aHPW anchored MesoHZ5 a novel catalyst for selective synthesis of cSEP a1736-17420 v373 aEthanolysis of biomass derived furfuryl alcohol (FA) produces ethyl levulinate (EL), a biofuel additive and precursor for -valerolactone synthesis. The present study is devoted to develop an efficient and an environmentally benign catalytic system for one-pot conversion of FA to EL biofuel, by revealing an insight of the catalytic mechanism. The catalytic activity of H-ZSM-5, Meso-HZ-5 (desilicated H-ZSM-5) and different percentage H3PW12O40(HPW) anchored to Meso-HZ-5 catalysts have been evaluated for the FA ethanolysis. As per our knowledge, this is the first research reporting the application of HPW anchored to Meso-HZ-5 catalysts for the conversion of FA into EL in biomass utilization. These catalysts were synthesized and characterized by Powder X-ray diffraction (XRD), N-2 physisorption and temperature programmed NH3 desorption (TPAD). Products of FA ethanolysis viz., 4,5,5-triethoxypentan-2-one (TEP), ethoxy-methyl- furan (EMF), diethyl ether (DEE), EL were identified by Gas Chromatography-Mass Spectroscopy (GC-MS) and quantified by flame ionization detector (GC-FID). The physicochemical properties of catalysts were found to correlate to the product distribution matrix. Moreover, influences of several process parameters such as catalyst amount, reactant molar ratio, temperature and time on the extent of FA ethanolysis were systematically investigated. Under optimized conditions, 15% (w/w) HPW/Meso-HZ-5 exhibited a remarkable catalytic performance with complete FA conversion (100%) along with 97% yield of EL, these activity values are superior than the previously reported studies. The present study provides an insight of the catalytic mechanism along with a potential environmental benign and the economic catalyst for the efficient synthesis of EL biofuel from the biomass-derived FA1 aNandiwale, Kakasaheb, Y.1 aPande, Ashwini, M.1 aBokade, Vijay, V. uhttps://library.ncl.res.in/content/hpw-anchored-meso-hz-5-novel-catalyst-selective-synthesis-ethyl-levulinate-biofuel02569nas a2200169 4500008004100000022001400041245015400055210007300209260000800282300001400290490000700304520187600311100002902187700002302216700002202239856013802261 2018 eng d a1944-745000aHPW anchored Meso‐HZ‐5, a novel catalyst for selective synthesis of ethyl levulinate biofuel by alcoholysis of biomass‐derived furfuryl alcohol0 aHPW anchored Meso‐HZ‐5 a novel catalyst for selective synthesis  cNOV a1736-17420 v373 athanolysis of biomass derived furfuryl alcohol (FA) produces ethyl levulinate (EL), a biofuel additive and precursor for γ‐valerolactone synthesis. The present study is devoted to develop an efficient and an environmentally benign catalytic system for one‐pot conversion of FA to EL biofuel, by revealing an insight of the catalytic mechanism. The catalytic activity of H‐ZSM‐5, Meso‐HZ‐5 (desilicated H‐ZSM‐5) and different percentage H3PW12O40(HPW) anchored to Meso‐HZ‐5 catalysts have been evaluated for the FA ethanolysis. As per our knowledge, this is the first research reporting the application of HPW anchored to Meso‐HZ‐5 catalysts for the conversion of FA into EL in biomass utilization. These catalysts were synthesized and characterized by Powder X‐ray diffraction (XRD), N2 physisorption and temperature programmed NH3 desorption (TPAD). Products of FA ethanolysis viz., 4,5,5‐triethoxypentan‐2‐one (TEP), ethoxy‐methyl‐ furan (EMF), diethyl ether (DEE), EL were identified by Gas Chromatography‐Mass Spectroscopy (GC‐MS) and quantified by flame ionization detector (GC‐FID). The physicochemical properties of catalysts were found to correlate to the product distribution matrix. Moreover, influences of several process parameters such as catalyst amount, reactant molar ratio, temperature and time on the extent of FA ethanolysis were systematically investigated. Under optimized conditions, 15% (w/w) HPW/Meso‐HZ‐5 exhibited a remarkable catalytic performance with complete FA conversion (100%) along with 97% yield of EL, these activity values are superior than the previously reported studies. The present study provides an insight of the catalytic mechanism along with a potential environmental benign and the economic catalyst for the efficient synthesis of EL biofuel from the biomass‐derived FA.1 aNandiwale, Kakasaheb, Y.1 aPande, Ashwini, M.1 aBokade, Vijay, V. uhttps://library.ncl.res.in/content/hpw-anchored-meso%E2%80%90hz%E2%80%905-novel-catalyst-selective-synthesis-ethyl-levulinate-biofuel01919nas a2200169 4500008004100000245015000041210006900191260000800260300001200268490000600280520123500286100002201521700002801543700002401571700002201595856013201617 2018 eng d00aHxZr3-xPW12O40 as an insoluble and reusable heteropolyacid for highly selective dehydration of fructose to 5-hydroxymethyl fufural in DMSO system0 aHxZr3xPW12O40 as an insoluble and reusable heteropolyacid for hi cJAN a832-8360 v33 aDehydration of fructose is a way to produce an important platform chemical such as 5-hydroxymethylfurfural (HMF) which is widely used to synthesize variety of renewable chemicals and fuel. Heteropoly acid, H3PW12O40 is highly soluble strong acidic catalyst with well-defined structure. This study reports the modification of soluble heteropoly acid to insoluble and reusable heteropolyacid (HxZr3-xPW12O40 ) by exchanging with Zr and investigation of its catalytic performance in selective transformation of renewable fructose to 5-HMF in Dimethyl sulfoxide (DMSO) system. The physico-chemical properties of H(x)Zr(3-x)PW(12)O(40)were derived from Powder-XRD, NH3-TPAD and FT-IR technique. The characterization of HxZr3-xPW12O40 revealed that the Keggin structure of HPA remained intact as proton replaced by Zr. The partial exchange of Zr in H2Zr1PW12O40 catalyst resulted in an increase in acidity, however further increase of Zr above 1, acidity was found to be decreased. At optimized reaction condition, 5-HMF yield of 85% with 100% selectivity was achieved with H1Zr2 PW12O40 catalyst at much lower reaction time of 10 min than reported. The catalyst was observed to be recoverable, reusable as compared to parent H3PW12O40.1 aMulik, Nagesh, L.1 aNiphadkar, Prashant, S.1 aPandhare, Kiran, V.1 aBokade, Vijay, V. uhttps://library.ncl.res.in/content/hxzr3-xpw12o40-insoluble-and-reusable-heteropolyacid-highly-selective-dehydration-fructose-501881nas a2200157 4500008004100000022001500041245006200056210006200118260000800180300001400188490000700202520137200209100002101581700002401602856009701626 2018 eng d a 1861-472800aHydrogen bonding assissted supramolecular metal catalysis0 aHydrogen bonding assissted supramolecular metal catalysis cDEC a3623-36460 v133 aThe process of catalyst screening and discovery still largely relies on traditional ligand-design approaches, which suffer from complex synthetic requirements and offer limited structural diversity. On the contrary, supramolecular chemistry offers the potential to harness multiple weak secondary interactions to deliver self-assembled catalysts with diverse structures or to orient substrates to achieve enzyme-like activity and selectivity. Herein, the application of hydrogen-bonding (H-bonding) interactions as a construction element and directing group in "supramolecular transition-metal catalysis" is critically reviewed and the current state-of-the-art in the field is presented. H-bonding interactions empower structurally simple ligands to deliver complex self-assembled catalysts, which have been found to catalyze a gamut of organic transformations, including hydroformylation, hydrogenation, and allylation reactions. As we will discuss, on many occasions, these supramolecular catalysts outperform their analogous covalently linked catalytic systems. The potential of H-bonding interactions as directing groups has recently been recognized by the scientific community and this Focus Review presents the role of hydrogen-bonding interactions in directing substrates to obtain excellent selectivities and activities in a range of catalytic transformations1 aMote, Nilesh, R.1 aChikkali, Samir, H. uhttps://library.ncl.res.in/content/hydrogen-bonding-assissted-supramolecular-metal-catalysis01877nas a2200157 4500008004100000022001500041245006100056210005900117260000800176300001400184490000700198520137300205100002101578700002401599856009601623 2018 eng d a1861-4728 00aHydrogen-bonding-assisted supramolecular metal catalysis0 aHydrogenbondingassisted supramolecular metal catalysis cDEC a3623-36460 v133 aThe process of catalyst screening and discovery still largely relies on traditional ligand-design approaches, which suffer from complex synthetic requirements and offer limited structural diversity. On the contrary, supramolecular chemistry offers the potential to harness multiple weak secondary interactions to deliver self-assembled catalysts with diverse structures or to orient substrates to achieve enzyme-like activity and selectivity. Herein, the application of hydrogen-bonding (H-bonding) interactions as a construction element and directing group in "supramolecular transition-metal catalysis" is critically reviewed and the current state-of-the-art in the field is presented. H-bonding interactions empower structurally simple ligands to deliver complex self-assembled catalysts, which have been found to catalyze a gamut of organic transformations, including hydroformylation, hydrogenation, and allylation reactions. As we will discuss, on many occasions, these supramolecular catalysts outperform their analogous covalently linked catalytic systems. The potential of H-bonding interactions as directing groups has recently been recognized by the scientific community and this Focus Review presents the role of hydrogen-bonding interactions in directing substrates to obtain excellent selectivities and activities in a range of catalytic transformations.1 aMote, Nilesh, R.1 aChikkali, Samir, H. uhttps://library.ncl.res.in/content/hydrogen-bonding-assisted-supramolecular-metal-catalysis02312nas a2200265 4500008004100000245012900041210006900170260000800239300001600247490000700263520139200270100001601662700002001678700002101698700001801719700002101737700002401758700002001782700002401802700002601826700002401852700001901876700002001895856013101915 2018 eng d00aHydrothermal synthesis of rGO-PbBi2Se4 composite and investigation of its structural, chemical and field emission properties0 aHydrothermal synthesis of rGOPbBi2Se4 composite and investigatio cJUN a10494-105030 v293 aIn the present study we report the one step facile synthesis of pristine lead bismuth selenide (PbBi2Se4) and reduced graphene oxide (rGO) and its composites with PbBi2Se4. Formation of pristine PbBi2Se4 and rGO-PbBi2Se4 composite were confirmed by X-ray diffraction and X-ray photoelectron spectroscopy. The surface morphology and topography investigated by using scanning electron microscopy and transmission electron microscopy revealed the formation of nano-flowers pristine PbBi2Se4. After coupling pristine PbBi2Se4 with rGO the surface morphology shows the formation of sharp vertically protruded nano-sheets/nano-flaks originated from the nano-flowers. Finally, the field emission properties of pristine PbBi2Se4 and rGO-PbBi2Se4 composite have been investigated. It has been observed that the rGO-PbBi2Se4 composite emitter exhibited excellent field emission properties with low turn-on field (similar to 2.8 V/A mu m for 10 A mu A/cm(2)), high emission current density (similar to 1288 A mu A/cm(2) at 3.9 V/A mu m) and superior current stability (similar to 4.5 h for similar to 1 A mu A) compare to pristine PbBi2Se4 emitter. Thus, the facile one step synthesis approach and robust nature of rGO-PbBi2Se4 composite emitter can provide prospects for the future development of large-area emitter applications such as flat-panel-display and vacuum micro/nanoelectronics devices.1 aAher, Rahul1 aBhorde, Ajinkya1 aSharma, Priyanka1 aNair, Shruthi1 aBorate, Haribhau1 aPandharkar, Subhash1 aRondiya, Sachin1 aChaudhary, Minakshi1 aGopinath, Chinnakonda1 aSuryawanshi, Sachin1 aMore, Mahendra1 aJadkar, Sandesh uhttps://library.ncl.res.in/content/hydrothermal-synthesis-rgo-pbbi2se4-composite-and-investigation-its-structural-chemical-and01606nas a2200169 4500008004100000245009600041210006900137260000800206300001200214490000800226520098200234100002401216700001601240700002001256700003301276856012701309 2018 eng d00aHydrothermally synthesized fluorescent Zn2SnO4 nanoparticles for dye sensitized solar cells0 aHydrothermally synthesized fluorescent Zn2SnO4 nanoparticles for cJUL a303-3130 v1543 aIn this work, we have investigated the interaction of hydrothermally synthesized Zn2SnO4 (ZTO) nanoparticles (NPs) with two different commercial photo sensitizers such as N719 and N3 dye molecules and studied their performance in dye sensitized solar cells (DSSC). Interestingly, the ZTO NPs exhibited band edge emission in the mid UVA region and as a result possibility of enhanced light harvesting in the terminal UVA region was anticipated in the device due to the efficient energy transfer observed in case of the sensitizer N719 than N3. The dye sensitization property has been found to be higher for the N3 dye molecules than the N719 dye molecules as based on the time dependent dye loading study. The devices fabricated with ZTO-N719 exhibited improved photovoltaic performance compared to the ZTO-N3 based devices exhibiting an overall conversion efficiency of 2.56% by the former compared to the later (1.90%) under 1SUN 1.5AM illumination and sensitization for 12 h.1 aDas, Partha, Pratim1 aRoy, Anurag1 aAgarkar, Shruti1 aDevi, Parukuttyamma, Sujatha uhttps://library.ncl.res.in/content/hydrothermally-synthesized-fluorescent-zn2sno4-nanoparticles-dye-sensitized-solar-cells01074nas a2200157 4500008004100000022001400041245014100055210006900196260000800265300001200273490000700285520044800292100002000740700002800760856012800788 2018 eng d a1477-052000aHydroxyl directed C-arylation: synthesis of 3-hydroxyflavones and 2-phenyl-3-hydroxy pyran-4-ones under transition-metal free conditions0 aHydroxyl directed Carylation synthesis of 3hydroxyflavones and 2 cJAN a444-4510 v163 a

An efficient, transition-metal free and direct C-arylation of 3-hydroxychromone moieties in the presence of a base, air as an oxidant and arylhydrazines as arylating agents to furnish highly biologically active flavonols or 3-hydroxyflavones has been developed. We have further extended our methodology for the C-arylation of the 5-hydroxy pyran-4-one moiety. The role of the free hydroxyl group towards C-arylation has been delineated.

1 aPaula, Sayantan1 aBhattacharya, Asish, K. uhttps://library.ncl.res.in/content/hydroxyl-directed-c-arylation-synthesis-3-hydroxyflavones-and-2-phenyl-3-hydroxy-pyran-401903nas a2200193 4500008004100000022001400041245016200055210006900217260000800286520116300294653001501457653001201472653001601484653001401500653001301514100002401527700002801551856013001579 2019 eng d a2193-580700aHemiketal-keto tautomerism in 2-deoxy-delta-lactones mediated by 2-lithiothiazole in solution state: a formal synthesis of DAH, Kamusol and their C-5 Epimers0 aHemiketalketo tautomerism in 2deoxydeltalactones mediated by 2li cOCT3 a

The reactions of 2-lithiothiazole on 3,4,6-tri-O-benzyl-2-deoxyglyconolactones have been studied, which resulted in the formation of two products, major (3,4,6-tri-O-benzyl-2-deoxy-1-(2-thiazolyl) glycal) and minor products 3,4,6-tri-O-benzyl-2-deoxy-1-(2-thiazolyl) glycal hemiketal. The hemiketal-keto tautomerism in solution was observed in the minor product. The tautomerism has been studied in various organic solvents and their ratios have been determined by H-1 NMR spectroscopy. The major product from the reaction of 2-lithiothiazole with 2-deoxygluconolactone was utilized for the synthesis of 3-deoxy-D-arabino-2-heptulosonic acid DAH 4 a and 3-deoxy-D-arabino-2-heptulopyranose commonly known natural product kamusol 6 a via acid catalyzed hydration followed by stereoselective methyl glycoside bond formation. Similarly, major product from 2-deoxygalactonolactone furnished 5-epi-DAH 4 b (C-5 epimer of 4 a) and 5-epi-kamusol 6 b (C-5 epimer of 6 a). The minor product has also been utilized for the synthesis of DAH 4 a, 5-epi-DAH 4 b, kamusol 6 a and 5-epi-kamusol 6 b through a common intermediate, alpha-methyl glycosylated product.

10ahemiketals10aKetones10atautomerism10athiazoles10aumpolung1 aChand, Hemender, R.1 aBhattacharya, Asish, K. uhttps://library.ncl.res.in/content/hemiketal-keto-tautomerism-2-deoxy-delta-lactones-mediated-2-lithiothiazole-solution-state02217nas a2200181 4500008004100000245011400041210006900155260000800224300001400232490000700246520154700253100001901800700002201819700002601841700002401867700002401891856012001915 2019 eng d00aHepatoprotective cocrystals of isoniazid: synthesis, solid state characterization, and hepatotoxicity studies0 aHepatoprotective cocrystals of isoniazid synthesis solid state c cSEP a5161-51720 v193 a

Isoniazid (INH) is one of the first line drugs used in combination with pyrazinamide and rifampicin for the management of tuberculosis. Idiosyncratic hepatotoxicity is one of the most common side effects of antitubercular therapy worldwide. The current study explores solid phase modification of INH by cocrystallization with various hepatoprotective coformers, namely chrysin, hesperetin, silibinin, syringic acid (SYRA), and quercetin (QUE) to address hepatotoxicity concerns. Cocrystals were obtained with SYRA and QUE. Supramolecular synthons based on pyridine-carboxyl and pyridine-hydroxyl synthon enabled the formation of cocrystals. INHSYRA and INHQUE cocrystals were characterized by FT-IR, DSC, and PXRD. Single crystal X-ray analysis of INHSYRA revealed that it crystallized in triclinic system with the P (1) over bar space group. Intrinsic dissolution rate studies (IDR) showed slow drug release from both the cocrystals. Hepatoprotective effects of INHSYRA and INHQUE cocrystals were evaluated by a single toxic dose study and a subchronic study for 28 days. Results from the subchronic study indicated significant increase in ALT, AST, and ALP enzyme levels in the INH-treated group whereas the enzyme levels in INHSYRA and INHQUE cocrystal treated group were comparable to that of the untreated group. This study demonstrates the in vivo hepatoprotective effects of coformers SYRA and QUE provide promising evidence for utility of nutraceutical based coformers, to tackle hepatotoxicity associated with various drugs.

1 aYadav, Balvant1 aGunnam, Anilkumar1 aThipparaboina, Rajesh1 aNangia, Ashwini, K.1 aShastri, Nalini, R. uhttps://library.ncl.res.in/content/hepatoprotective-cocrystals-isoniazid-synthesis-solid-state-characterization-and01663nas a2200157 4500008004100000245011300041210006900154260000800223300001400231490000700245520106700252100001901319700001601338700002101354856013001375 2019 eng d00aHeteropolyacids supported on mesoporous AlSBA-15 as efficient catalysts for esterification of levulinic acid0 aHeteropolyacids supported on mesoporous AlSBA15 as efficient cat cOCT a1335-13430 v263 a

A comparative study of different heteropoly acids supported on mesoporous AlSBA-15 for the synthesis of ethyl levulinate has been undertaken for the first time. The catalysts were characterized by X-ray diffraction, scanning electron microscopy, transmission electron microscopy, inductively coupled plasma-optical emission spectrometry, thermo gravimetric analysis, temperature programmed desorption of NH3 and N-2 sorption studies. Insights into crucial parameters for the esterification reactions are also furnished. A distinct correlation was observed between acid density and conversion revealing that the distribution of acidic sites and their accessibility by the reactant moieties plays an important role in determining the overall activity. The effects of various reaction parameters were investigated to enhance the catalytic activity and yield of ethyl levulinate. Under the optimized conditions, levulinic acid conversion of 87.4 mol% and ethyl levulinate selectivity of 100% could be obtained with silicotungstic acid supported on AlSBA-15.

1 aLucas, Nishita1 aGurrala, L.1 aAthawale, Anjali uhttps://library.ncl.res.in/content/heteropolyacids-supported-mesoporous-alsba-15-efficient-catalysts-esterification-levulinic02505nas a2200169 4500008004100000245009800041210006900139260000800208300001000216490000800226520190400234100002002138700002202158700001802180700001802198856011902216 2019 eng d00aHierarchical K/LTL zeolite as solid base for aqueous phase hydrogenation of xylose to xylitol0 aHierarchical KLTL zeolite as solid base for aqueous phase hydrog cAPR a70-800 v2783 aPost-synthesis modification by alkali treatment was employed for the synthesis of hierarchical K/LTL zeolites with varying degree of mesoporosity. For the alkali treatment, the concentration of aqueous KOH solution was changed from 0.3 to 2.8 M keeping the quantity per gram of zeolite fixed. The influence of the alkali concentration on the chemical composition, powder XRD crystallinity, morphology, basicity, and the textural properties of resultant hierarchical zeolites was investigated. Variation in the concentration of KOH solution was found to control the degree of preferential desilication with the preserved structural fingerprint of K/LTL zeolite. As a result, the generation of mesoporosity was observed along with 1) the decrease in the Si/Al ratio and percentage relative crystallinity, and 2) an increase in BET surface area and mesopore volume. 27Al MAS-NMR results showed that all the aluminum atoms present in the tetrahedral coordination after alkali treatment, which provides an elegant approach for significantly increasing the basic sites in the hierarchical zeolites. As a heterogeneous catalyst, the hierarchical K/LTL zeolites demonstrated the improved performance in the hydrogenation of xylose to xylitol as compared to the parent K/LTL zeolite. The different process parameters were assessed in order to maximize the hydrogenation activity. Among all the hierarchical zeolites, the enhanced catalytic activity was shown by the hierarchical K/LTL prepared by using 1.5 M KOH solution when it is used along with the 3.5 wt% platinum loaded γ-Al2O3 catalyst. This optimum activity may be attributed to the higher surface area, accessible basic sites, nano-sized Pt on γ-Al2O3, and the development of substantial intracrystalline mesoporosity for the enhanced molecular diffusion of reactant to and from the hierarchical zeolite with better-preserved crystallinity.1 aP., Tangale, N.1 aNiphadkar, P., S.1 aJoshi, P., N.1 aDhepe, P., L. uhttps://library.ncl.res.in/content/hierarchical-kltl-zeolite-solid-base-aqueous-phase-hydrogenation-xylose-xylitol01839nas a2200145 4500008004100000245013400041210006900175260000800244490000800252520125400260100001701514700001901531700001901550856012401569 2019 eng d00aHigh content screening assay for identifying inhibitors against active and dormant state intracellular Mycobacterium tuberculosis0 aHigh content screening assay for identifying inhibitors against  cSEP0 v1643 a

The antitubercular drug development pipeline could start with an in vitro investigation of several compounds to examine their effect on active and dormant state Mycobacterium tuberculosis (Mtb). However, in vitro screening of dormant state bacilli cannot provide enough information on the simultaneous effect of a compound on the host. Therefore, we developed a live cell fluorescence based screening protocol by utilizing the high content system for determining the effect of inhibitors against active and dormant state intracellular mycobacteria. THP-1 macrophages infected with an actively growing and hypoxia derived dormant Mtb culture were standardized to develop the screening protocol. The signal to noise ratio and the Z' factor of this assay were found to be 7.5-29 and 0.6-0.8, respectively, which confirm the robustness of the protocol. The protocol was then validated with standard inhibitors. This newly developed drug screening assay offers an easy, safe, image based high content screening tool to search for novel antitubercular inhibitors against both active and dormant state intracellular mycobacteria. Therefore, this assay could fill in the gap between in vitro and in vivo latent tuberculosis drug screening programs.

1 aYeware, Amar1 aAgrawal, Sonia1 aSarkar, Dhiman uhttps://library.ncl.res.in/content/high-content-screening-assay-identifying-inhibitors-against-active-and-dormant-state02818nas a2200265 4500008004100000022001400041245018000055210006900235260000900304300001600313490000700329520179300336653002502129653002102154653002002175653004002195653002202235100003002257700002802287700003202315700002202347700002302369700002802392856013202420 2019 eng d a1944-824400aHigh-energy flexible supercapacitor-synergistic effects of polyhydroquinone and RuO2 center dot xH(2)O with microsized, few-layered, self-supportive exfoliated-graphite sheets0 aHighenergy flexible supercapacitorsynergistic effects of polyhyd cMAY  a18349-183600 v113 a

An effective and straightforward route for tailoring the self-supporting, exfoliated flexible graphite substrate (E-FGS) using electrochemical anodization is proposed. E-FGS has essential features of highly exfoliated, few-layered, two-dimensional graphite sheets with the size of several tens of micrometers, interconnected along the axis of the substrate surface. The novel hierarchical porous structural morphology of E-FGS enables large active sites for efficient electrolyte ion and charge transport when used as electrode material for a supercapacitor. In order to effectively utilize this promising E-FGS electrode for energy storage purpose, a ternary composite is further synthesized with pseudocapacitive polyhydroquinone (PHQ) and hydrous RuO2 (hRO). hRO is synthesized via a sol-gel route, while electropolymerization is utilized for the electrodeposition of PHQ over E-FGS. Ultimately, the fabricated self-supporting E-FGS-based flexible supercapacitor is capable of delivering areal specific capacitance values as high as 378 mF cm(-2) at a current density of 1 mA cm(-2). Addition of the pseudocapacitive component to the E-FGS texture leads to similar to 10 times increase of the electrochemical charge storage capability. The imposition of mechanical forces to this flexible supercapacitor device results in trivial changes in electrochemical properties and is still capable of retaining 91% of the initial specific capacitance after 10 000 cycles. Alongside, the fabricated symmetrical solid-state flexible device exhibited a high energy density of 8.4 mu Wh cm(-2). The excellent performance along with the ease of synthesis and fabrication process of the flexible solid-state supercapacitor device using PHQ/hRO/E-FGS holds promise for large-scale production.

10agraphite exfoliation10apolyhydroquinone10aruthenium oxide10asolid-state flexible supercapacitor10aTernary Composite1 aMuniraj, Vedi, Kuyil Azha1 aDwivedi, Pravin, Kumari1 aTamhane, Parikshit, Shivaji1 aSzunerits, Sabine1 aBoukherroub, Rabah1 aShelke, Manjusha, Vilas uhttps://library.ncl.res.in/content/high-energy-flexible-supercapacitor-synergistic-effects-polyhydroquinone-and-ruo2-center-dot01473nas a2200229 4500008004100000022001400041245007100055210006900126260000800195300001000203490000800213520074300221653002400964653001200988653003301000653001701033653001701050653003201067100002201099700002101121856010101142 2019 eng d a1566-736700aHighly efficient Pt-MoOx/ZrO2 catalyst for green diesel production0 aHighly efficient PtMoOxZrO2 catalyst for green diesel production cMAY a70-760 v1253 a

Bimetallic Pt-MoOx supported on ZrO2 exhibits higher catalytic activity than known catalysts for converting fatty acids into green diesel at as low as 200 degrees C. A change in selectivity from decarboxylation/decarbonylation to hydrodeoxygenation and enhancement in the deoxygenation activity of Pt were observed when MoOx was also present in the catalyst composition. In X-ray photoelectron spectra, Pt 4f lines of 4Pt-8MoO(x)/ZrO2 occurred at lower binding energies than those for 4Pt/ZrO2. Part of Mo was reduced from +6 to +5 oxidation state in the presence of Pt. There seems to exist some electronic interaction between the support and metal, making 4Pt-8MoO(x)/ZrO2 a highly efficient and selective deoxygenation catalyst.

10aBimetallic catalyst10aBiofuel10aDeoxygenation of fatty acids10aGreen Diesel10aHydrocarbons10aSupported platinum catalyst1 aJanampelli, Sagar1 aDarbha, Srinivas uhttps://library.ncl.res.in/content/highly-efficient-pt-mooxzro2-catalyst-green-diesel-production00537nas a2200133 4500008004100000245009700041210006900138260000800207300001200215490000700227100001800234700002200252856012900274 2019 eng d00aHighly efficient rhodium-phosphite catalyzed hydroformylation of camphene and other terpenes0 aHighly efficient rhodiumphosphite catalyzed hydroformylation of  cJAN a213-2190 v311 aPagar, N., S.1 aDeshpande, R., M. uhttps://library.ncl.res.in/content/highly-efficient-rhodium-phosphite-catalyzed-hydroformylation-camphene-and-other-terpenes02071nas a2200169 4500008004100000245009500041210006900136260000800205300001600213490000600229520144700235100001501682700002701697700001901724700003101743856012701774 2019 eng d00aHighly flexible mechanical energy harvester based on nylon 11 ferroelectric nanocomposites0 aHighly flexible mechanical energy harvester based on nylon 11 fe cJUL a1998–20050 v13 a

We report here a flexible piezoelectric energy harvester using castor-oil-derived nylon 11 and biomass-derived cellulose nanocrystals (CNC). Using a simple solution casting process, we were able to fabricate flexible large area nylon 11 and composite films. Neat nylon 11 films crystallized predominantly in the α- phase. Incorporation of CNC at a low concentration of 2–5 wt % resulted in almost complete transition of α-phase to polar γ-phase, which could be attributed to strong hydrogen bonding interactions between CNC and amide groups in nylon 11. This remarkable shift in crystallization behavior also led to enhanced piezoelectric performance. We also found that the addition of 5 wt % glycerol (on the dry weight of nylon 11 or composite) enhanced the flexibility of the film. Energy harvesting devices made from 5 wt % nylon 11/CNC films showed about 2.6 times higher output voltage as compared to neat nylon 11 devices under similar impact conditions, and the effect was durable over 800 cycles. These devices were also used to charge a 10 μF polarized capacitor, and we found that the 5 wt % nylon 11/CNC devices charged up to 3.78 V in 90 s, which is 2.8 times higher than nylon 11 devices. To the best of our knowledge, this is the first report on nylon 11 nanocomposites, where cellulose nanocrystals have been used to enhance the electroactive γ phase in nylon 11 and yield such high piezoelectric performance.

1 aRam, Farsa1 aRadhakrishnan, Sithara1 aAmbone, Tushar1 aShanmuganathan, Kadhiravan uhttps://library.ncl.res.in/content/highly-flexible-mechanical-energy-harvester-based-nylon-11-ferroelectric-nanocomposites02240nas a2200181 4500008004100000245011900041210006900160260000800229300001500237490000700252520157800259100001801837700001701855700001601872700001901888700002301907856012801930 2019 eng d00aHighly frustrated liquid crystal phases in optically active dimers: synthesis and rich phase transitional behavior0 aHighly frustrated liquid crystal phases in optically active dime cJAN a2148-2162 0 v433 aHerein we report on the synthesis and characterization of four new series of optically active, nonsymmetric dimers in which cholesterol is covalently linked to a Schiff base core through an ω-oxyalkanoyl spacer. While the Schiff base core is substituted with n-butyloxy, n-hexyloxy, n-octyloxy, n-decyloxy and n-dodecyloxy tails, three even-parity spacers, namely, 4-oxybutanoyl, 6-oxyhexanoyl, 8-oxyoctanoyl, and an odd-parity spacer, namely, 5-oxypentanoyl, have been used to join the two cores. The experimental results show that the length and parity of the spacer and the length of the terminal tail play a vital role in deciding the phase sequences of the dimers. In general, the dimers possessing an even-parity spacer display enantiotropic LC phases such as chiral nematic (N*), twist grain boundary (TGB), smectic A (SmA), chiral smectic C (SmC*) and twist grain boundary phase with SmC* slabs (TGBC*). Some of these dimers display TGBC* over a wide temperature range. The dimers with an odd-parity (5-oxypentanoyl) spacer display, unlike their even-membered counterparts, blue phases (BPIII/II/I); besides, they stabilize N* and/or unknown smectic (SmX) phases. The circular dichroism (CD) measurements were carried out as a function of temperature on the planar texture formed by three even-membered dimers and an odd-membered dimer. The occurrence of a strong negative CD band in the N* phase of the even-membered dimers suggests a left-handed screw sense of the macroscopic helical structure, and the scenario is opposite in the case of an odd-membered dimer.1 aNayak, R., A.1 aBhat, S., A.1 aShanker, G.1 aRao, D., S. S.1 aYelamaggad, C., V. uhttps://library.ncl.res.in/content/highly-frustrated-liquid-crystal-phases-optically-active-dimers-synthesis-and-rich-phase02214nas a2200289 4500008004100000022001400041245009500055210006900150260000800219300000800227490000600235520133700241653001001578653001101588653001201599653002001611653001201631653001101643100001601654700002401670700001701694700002401711700001801735700002101753700002501774856012501799 2019 eng d a2073-434400aHigh-performing PGM-free AEMFC cathodes from carbon-supported cobalt ferrite nanoparticles0 aHighperforming PGMfree AEMFC cathodes from carbonsupported cobal cMAR a2640 v93 a

Efficient and durable non-precious metal electrocatalysts for the oxygen reduction reaction (ORR) are highly desirable for several electrochemical devices, including anion exchange membrane fuel cells (AEMFCs). Here, cobalt ferrite (CF) nanoparticles supported on Vulcan XC-72 carbon (CF-VC) were created through a facile, scalable solvothermal method. The nano-sized CF particles were spherical with a narrow particle size distribution. The CF-VC catalyst showed good ORR activity, possessing a half-wave potential of 0.71 V. Although the intrinsic activity of the CF-VC catalyst was not as high as some other platinum group metal (PGM)-free catalysts in the literature, where this catalyst really shined was in operating AEMFCs. When used as the cathode in a single cell 5 cm(-2) AEMFC, the CF-VC containing electrode was able to achieve a peak power density of 1350 mW cm(-2) (iR-corrected: 1660 mW cm(-2)) and a mass transport limited current density of more than 4 A cm(-2) operating on H-2/O-2. Operating on H-2/Air (CO2-free), the same cathode was able to achieve a peak power density of 670 mW cm(-2) (iR-corrected: 730 mW cm(-2)) and a mass transport limited current density of more than 2 A cm(-2). These peak power and achievable current densities are among the highest reported values in the literature to date.

10aAEMFC10acobalt10aFerrite10ahigh-performing10anon-PGM10avulcan1 aPeng, Xiong1 aKashyap, Varchaswal1 aNg, Benjamin1 aKurungot, Sreekumar1 aWang, Lianqin1 aVarcoe, John, R.1 aMustain, William, E. uhttps://library.ncl.res.in/content/high-performing-pgm-free-aemfc-cathodes-carbon-supported-cobalt-ferrite-nanoparticles02403nas a2200145 4500008004100000245007100041210006900112260000800181300001500189490000700204520190100211100002202112700002402134856009902158 2019 eng d00aHigh-solubility salts of the multiple sclerosis drug teriflunomide0 aHighsolubility salts of the multiple sclerosis drug teriflunomid cSEP a 5407-54170 v193 a

Teriflunomide (TFM) is an immunomodulatory prodrug of leflunomide which is used for the treatment of multiple sclerosis (MS). It is a Biopharmaceutics Classification System Class (BCS) II drug with low solubility and high permeability. The X-ray crystal structure of TFM is stabilized by O-H center dot center dot center dot O, C-H center dot center dot center dot O, C-H center dot center dot center dot N, and N-H center dot center dot center dot N interactions. In order to study the solubility and dissolution changes of this drug, five multicomponent crystal forms were prepared with amine and amide generally regarded as safe (GRAS) coformers to improve the physicochemical properties such as solubility, dissolution, diffusion, and phase stability. Equimolar TFM-coformer 1:1 salts were crystallized, except for cytosine which afforded a salt cocrystal toluene solvate TFM-CYT-TOL in a 1:2:1 ratio. The multicomponent forms were crystallized by slow solvent evaporation and characterized by single crystal X-ray diffraction. TFM and coformer are bonded by N+-H center dot center dot center dot O-, N-H center dot center dot center dot O, O-H center dot center dot center dot O, C-H center dot center dot center dot O, C-H center dot center dot center dot N, N-H center dot center dot center dot N, and C-H center dot center dot center dot F interactions. The bulk phase purity of the salts was characterized by powder X-ray diffraction and infrared and thermal techniques. Solubility, dissolution, and diffusion experiments in pH 7.0 buffer exhibited a significant improvement compared to the reference drug. The morphology and particle size of salts by field emission scanning electron microscopy were related to dissolution behavior. The highest solubility, dissolution, and diffusion profile were observed for TFM-MEA and TFM-TEA salts (monoethanol amine and triethanol amine).

1 aGunnam, Anilkumar1 aNangia, Ashwini, K. uhttps://library.ncl.res.in/content/high-solubility-salts-multiple-sclerosis-drug-teriflunomide02097nas a2200229 4500008004100000022001400041245015800055210006900213260000800282300001400290490000800304520125600312100002301568700001901591700001801610700001601628700002301644700002701667700002401694700001801718856013101736 2019 eng d a1520-610600aHydrocarbon chain-length dependence of solvation dynamics in alcohol-based deep eutectic solvents: a two-dimensional infrared spectroscopic investigation0 aHydrocarbon chainlength dependence of solvation dynamics in alco cNOV a9355-93630 v1233 a

Deep eutectic solvents (DESs) have gained popularity in recent years as an environmentally benign, inexpensive alternative to organic solvents for diverse applications in chemistry and biology. Among them, alcohol-based DESs serve as useful media in various applications due to their significantly low viscosity as compared to other DESs. Despite their importance as media, little is known how their solvation dynamics change as a function of the hydrocarbon chain length of the alcohol constituent. In order to obtain insights into the chain-length dependence of the solvation dynamics, we have performed two-dimensional infrared spectroscopy on three alcohol-based DESs by systematically varying the hydrocarbon chain length. The results reveal that the solvent dynamics slows down monotonically with an increase in the chain length. This increase in the dynamic timescales also shows a strong correlation with the concomitant increase in the viscosity of DESs. In addition, we have performed molecular dynamics simulations to compare with the experimental results, thereby testing the capacity of simulations to determine the amplitudes and timescales of the structural fluctuations on fast timescales under thermal equilibrium conditions.

1 aChatterjee, Srijan1 aGhosh, Deborin1 aHaldar, Tapas1 aDeb, Pranab1 aSakpal, Sushil, S.1 aDeshmukh, Samadhan, H.1 aKashid, Somnath, M.1 aBagchi, Sayan uhttps://library.ncl.res.in/content/hydrocarbon-chain-length-dependence-solvation-dynamics-alcohol-based-deep-eutectic-solvents01711nas a2200217 4500008004100000022001400041245012200055210006900177260000800246300001100254490000700265520093800272653001301210653003701223653001801260653002001278653002101298100002201319700002101341856013101362 2019 eng d a1571-101300aHydrodeoxygenation of vegetable oils and fatty acids over different group VIII metal catalysts for producing biofuels0 aHydrodeoxygenation of vegetable oils and fatty acids over differ cJUN a90-1010 v233 a

Energy security and environment protection are two important aspects of sustainable development. Biofuels are renewable and carbon neutral. They are suitable replacement for conventional fossil derived transport fuels. Their use leads to sustainable development. Among several technological options, catalytic hydrodeoxygenation of vegetable oils leading to diesel-range hydrocarbons is the most attractive approach for producing biofuels. The green diesel, thus produced, could be blended with petro-diesel or used as standalone fuel in the conventional diesel engines. Our research group has been active in developing efficient solid catalysts for hydroprocessing of vegetable oils. This account presents some of our efforts using supported group VIII metals and the importance of electronic contact between metal and support on the catalytic activity and hydrodeoxygenation selectivity in hydroprocessing of vegetable oils.

10abiofuels10aCatalysis over group VIII metals10aDeoxygenation10aHydroprocessing10aRenewable diesel1 aJanampelli, Sagar1 aDarbha, Srinivas uhttps://library.ncl.res.in/content/hydrodeoxygenation-vegetable-oils-and-fatty-acids-over-different-group-viii-metal-catalysts02647nas a2200265 4500008004100000022001400041245012000055210006900175260000900244300001200253490000800265520177000273653001502043653001702058653001302075653001402088653002502102100001602127700002402143700002102167700002202188700002202210700002502232856012402257 2019 eng d a0301-479700aHydrodynamic cavitation using vortex diode: an efficient approach for elimination of pathogenic bacteria from water0 aHydrodynamic cavitation using vortex diode an efficient approach cJUL  a210-2190 v2423 a

The present study successfully demonstrates greener methodology of hydrodynamic cavitation using rotational flows for disinfection of water. Disinfection of two model microbial strains-gram-negative (Escherichia colt) and gram-positive (Staphylococcus aureus) using vortex diode was evaluated. The removal efficacy was quantified for two different cavitation reactors. Practically complete elimination of E. coli was achieved (99%) after 1 h of cavitation at a pressure drop of only 0.5 bar. However, elimination of S. aureus using vortex diode was observed to be lower in comparison to the removal of E. coli and only 60% disinfection could be achieved under similar conditions, which can be subsequently enhanced up to 98% by increasing pressure drop. The results were compared with another cavitating device that employs linear flow for cavitation, orifice. The reactor geometry has significant impact on the disinfection process and orifice was found to require significantly higher pressure drop (10 bar) conditions for disinfection and for eliminating grain-positive bacteria with high efficiency. A plausible mechanism for disinfection was proposed to elucidate the role of cavitation in cell destruction leading to death of cells through the rupture of cell wall, oxidative damage and possible DNA denaturation. Also, a cavitation model using per pass disinfection was developed that can provide meaningful physical description of the disinfection process as against the conventional first order reaction rate model. This study would provide meaningful insight into cavitation process based on hydrodynamic cavitation for the destruction of both gram-negative and gram-positive bacteria from various water sources, including industrial wastewaters.

10aCavitation10aDisinfection10akinetics10apollution10aWastewater treatment1 aJain, Pooja1 aBhandari, Vinay, M.1 aBalapure, Kshama1 aJena, Jyotsnarani1 aRanade, Vivek, V.1 aKilledar, Deepak, J. uhttps://library.ncl.res.in/content/hydrodynamic-cavitation-using-vortex-diode-efficient-approach-elimination-pathogenic01873nas a2200169 4500008004100000022001400041245008200055210006900137260000800206300001000214490000700224520129800231100002401529700001501553700002301568856011201591 2019 eng d a0888-588500aHydrodynamics and selectivity engineering of a multipoint dosing flow reactor0 aHydrodynamics and selectivity engineering of a multipoint dosing cDEC a228740 v583 a

This paper reports the suitability of a multipoint injection continuous flow reactor for carrying out a sequential reaction, while taking into account the associated hydrodynamics of such systems. Pressure drop was measured for different fluid injection patterns, viz., equal fluid dosing, decreasing dosing, and increasing dosing flow rates from the first to the last inlet. Moreover, residence time distribution was also explored. The data were compared with a conventional single-point injection. The extent of dispersion was found to be higher in the decreasing dosing profile compared to equally distributed dosing. Taking into account of these features, the suitability of such a reactor system for competitive-consecutive homogeneous nitration reaction was evaluated. The analysis was done on the basis of the Damkohler number (Da) for mixing and reaction. The rate-controlling phenomena were used to simulate the performance of the reactor for a range of a number of inlets, the mole ratio of reactants, and relative values of Da. The observations indicate that the multipoint injection is not beneficial for mixing controlled reactions. However, for reactions in the transient regime (i.e., 0.001 < t(m)/t(R) < 1000), it gives higher selectivity of the desired product.

1 aShukla, Chinmay, A.1 aPal, Sayan1 aKulkarni, Amol, A. uhttps://library.ncl.res.in/content/hydrodynamics-and-selectivity-engineering-multipoint-dosing-flow-reactor03024nas a2200193 4500008004100000022001400041245017500055210006900230260000900299300001400308490000700322520228300329100001602612700001802628700001602646700001702662700002402679856012702703 2019 eng d a1474-905X00aHydrogen bond assisted photoinduced intramolecular electron transfer and proton coupled electron transfer in an ultrafast time domain using a ruthenium-anthraquinone dyad0 aHydrogen bond assisted photoinduced intramolecular electron tran cOCT  a2430-24410 v183 a

Quinones play a significant role as primary electron acceptors in the natural photosynthetic system of photosystem II, and their reduction is known to be facilitated by hydrogen-bond donors or protonation. In this study, a ruthenium(ii) polypyridyl complex 1 coupled to an anthraquinone (AQ) functionality through a rigid imidazole (Im) spacer has been synthesized to examine the effect of H-bonding on both the thermal and photoinduced electron transfer reactions. The anthraquinone moiety of complex 1 is fused to a benzi-imidazole system bearing C & xe001;(OMIDLINE)-M-AQ HORIZONTAL ELLIPSISHNIm based H-bonding at one side of the anthraquinone moiety so that intramolecular hydrogen bonding from the imidazole group to the nearby quinone carbonyl can occur. The hydrogen bond formation involving the semiquinone radical anion produced through the photoinduced reduction process in Ru-im-AQ and the imidazole proton in complex 1 resulted in a significant positive shift of one electron reduction potential of complex 1. The kinetics for the formation of the charge-separated states was explored by using femtosecond transient absorption spectroscopy. Hydrogen bonding between water and the reduced anthraquinone accounted for thermodynamic and kinetic stabilization of these charge-separated states. An attempt has been made to assess the relative importance of the driving force and solvent polarity, in the rates of photoinduced electron transfer in complex 1. The 490 nm transient absorption band of anthraquinone radical anions (AQ(-)) and a broad absorption in the 580-750 nm region having maxima at similar to 690 nm have been observed and this is attributed to the generation of a transient Ru3+-species of the corresponding complex 1. Addition of water entails an acceleration of electron transfer rates by a factor of 3.33. The system investigated may serve as a model for the mechanistic diversity of PCET reactions in general with water as a primary proton donor. Furthermore, our studies are relevant for understanding proton-coupled electron transfer (PCET) reactivity of electronically excited states at a fundamental level because changes in hydrogen-bonding strength accompanying changes in redox states may be regarded as a variant form of PCET.

1 aDey, Ananta1 aDana, Jayanta1 aAute, Sunil1 aDas, Amitava1 aGhosh, Hirendra, N. uhttps://library.ncl.res.in/content/hydrogen-bond-assisted-photoinduced-intramolecular-electron-transfer-and-proton-coupled02487nas a2200253 4500008004100000022001400041245008100055210006900136260000800205300001200213490000800225520170000233653002301933653001301956653002801969653001601997653002202013100001802035700001902053700001902072700002002091700002102111856010102132 2019 eng d a0926-860X00aHydrophobic WO3/SiO2 catalyst for the nitration of aromatics in liquid phase0 aHydrophobic WO3SiO2 catalyst for the nitration of aromatics in l cMAR a105-1130 v5743 a

WO3/SiO2 solid acid catalyst synthesized using sol gel method has shown promising activity (up to 65% conversion) for aromatic nitration in liquid phase using commercial nitric acid (70%) as nitrating agent without using any sulfuric acid. The water formed during the reaction as well as water from dilute nitric acid (70%) was removed azeotropically, however due to the hydrophilic nature of the catalyst, some water gets strongly adsorbed on catalyst surface forming a barrier layer between catalyst and organics. This prevents effective adsorption of substrate on catalyst surface for its subsequent reaction. To improve the activity further, the hydrophilic/hydrophobic nature of the catalyst was altered by post modification by grafting with commercial short chain organosilane (Dynasylan 9896). The modified 20% WO3/SiO2 catalyst when used for o-xylene nitration in liquid phase, showed significant increase in the conversion from 65% to 80% under identical reaction conditions. Catalyst characterization revealed decrease in the surface area of 20% WO3/SiO2 from 356 m(2)/g to 302 m(2)/g after grafting with Dynasylan 9896. The fine dispersion of WO3 particles (2-5 run) on silica support was not affected due to modification. NMR and FTIR study revealed the decrease in surface hydroxyl groups imparting hydrophobicity to the catalyst. Interestingly the total acidic sites of the catalyst remained almost unaltered (0.54 mmol NH3/g) even after modification. Even though, the acidity and other characteristics of the catalyst did not change appreciably, there was a considerable increase in the o-xylene conversion which can be ascribed to the hydrophobic nature of the catalyst.

10aAromatic nitration10agrafting10aheterogeneous catalysis10aHydrophobic10aSol-gel synthesis1 aKulal, A., B.1 aKasabe, M., M.1 aJadhav, P., V.1 aDongare, M., K.1 aUmbarkar, S., B. uhttps://library.ncl.res.in/content/hydrophobic-wo3sio2-catalyst-nitration-aromatics-liquid-phase01846nas a2200217 4500008004100000022001400041245010500055210006900160260000800229300001400237490000700251520109900258653002101357653002401378653002601402653001501428100002201443700001801465700001901483856012601502 2019 eng d a1533-488000aHydrothermal growth and humidity-dependent electrical properties of molybdenum disulphide nanosheets0 aHydrothermal growth and humiditydependent electrical properties  cAUG a5158-51660 v193 a

In present investigation, we report humidity dependent electrical properties of molybdenum disulphide (MoS2) nanosheets. MoS2 nanosheets were prepared through a facile hydrothermal method with different reaction temperatures. The as-synthesized MoS2 nanosheets were characterized with XRD, SEM, TEM, and Raman spectroscopy, which confirmed successful preparation and rationality. Further, the humidity dependent electrical properties against relative humidity (RH) of these samples were carried out at room temperature. The results evinced that the sensors film fabricated with MoS2 nanosheets prepared at temperature 220 degrees C exhibited better performance compared to the nanosheets synthesized at 180 degrees C and 200 degrees C temperature. The RH sensing results exhibits highly sensitive, ultrafast response/recovery behaviour and outstanding repeatability than reported earlier. The excellent humidity sensing properties of the resultant MoS2 nanosheets was proved to be an excellent candidate for constructing ultrahigh-performance humidity sensor toward various applications.

10aHumidity sensors10aHydrothermal method10aMolybdenum Disulphide10ananosheets1 aShelke, Nitin, T.1 aKarle, S., C.1 aKarche, B., R. uhttps://library.ncl.res.in/content/hydrothermal-growth-and-humidity-dependent-electrical-properties-molybdenum-disulphide02714nas a2200145 4500008004100000245009000041210006900131260000800200300001200208490000800220520217800228100002202406700002402428856011602452 2019 eng d00a Hydrothermal growth of MoSe2 nanoflowers for photo- and humidity sensor applications0 aHydrothermal growth of MoSe2 nanoflowers for photo and humidity  cAUG a160-1680 v2953 a

In the present investigation, we report the synthesis of molybdenum diselenide (MoSe2) nanoflowers by facile hydrothermal method for photo- and humidity sensor applications. The obtained samples were characterized thoroughly by x-ray diffraction (XRD), Raman spectroscopy, scanning electron microscopy (SEM), and transmission electron microscopy (TEM). The XRD spectrum shows crystalline nature of the sample. Raman spectroscopy shows two prominent vibration modes of E-2 (g)1 and A(1g) at (2) over tilde 41 and (2) over tilde 83 cm(-1) respectively. The crystalline nature of the sample confirmed with the TEM. The MoSe2 nanoflowers based sensor shows high photosensitivity and good response to humidity with excellent prolong stability. The maximum photoresponsitivity of (1) over tilde 94% along with response of (4) over tilde0 ms and recovery time of (4) over tilde8 ms were observed for the sample. In case of humidity sensor, response time of (5) over tilde3 s and recovery time of (1) over tilde3 s with maximum sensitivity -74% were observed under humidity environments. It suggests that, MoSe2 nanoflowers appear as a potential candidate for constructing high-performance nanoelectronics devices. (C) 2019 Elsevier B.V. All rights reserved.
 

1 aShelke, Nitin, T.1 aLate, Dattatray, J. uhttps://library.ncl.res.in/content/hydrothermal-growth-mose2-nanoflowers-photo-and-humidity-sensor-applications01822nas a2200193 4500008004100000022001400041245006400055210006400119260000900183300001400192490000700206520118600213100002801399700003401427700001601461700002601477700003601503856008901539 2020 eng d a0006-296000aHDAC6 ZnF UBP as the modifier of tau structure and function0 aHDAC6 ZnF UBP as the modifier of tau structure and function cDEC  a4546-45620 v593 a

Histone deacetylase 6 is a class H histone deacetylase primarily present in the cytoplasm and involved in the regulation of various cellular functions. It consists of two catalytic deacetylase domains and a unique zinc finger ubiquitin binding protein domain, which sets it apart from other HDACs. HDAC6 is known to regulate cellular activities by modifying the function of microtubules, HSP90, and cortactin through deacetylation. Apart from the catalytic activity of HDAC6, it interacts with other proteins through either the SE14 domain or the ZnF UBP domain to modulate their functions. Here, we have studied the role of the HDAC6 ZnF UBP domain as a modifier of Tau aggregation by its direct interaction with the polyproline region/repeat region of Tau. Interaction of HDAC6 ZnF UBP with Tau was found to reduce the propensity of Tau to self-aggregate and to disaggregate preformed aggregates in a concentration-dependent manner and also bring about the conformational changes in Tau protein. The interaction of HDAC6 ZnF UBP with Tau results in its degradation, suggesting either proteolytic activity of HDAC6 ZnF UBP or its role in enhancing autoproteolysis of Tau.

1 aBalmik, Abhishek, Ankur1 aChidambaram, Hariharakrishnan1 aDangi, Abha1 aMarelli, Udaya, Kiran1 aChinnathambi, Subashchandrabose uhttps://library.ncl.res.in/content/hdac6-znf-ubp-modifier-tau-structure-and-function02117nas a2200277 4500008004100000022001400041245011800055210006900173260000900242300001400251490000600265520115800271653001501429653001901444653001901463653002101482653001901503100002501522700002801547700002601575700003201601700002701633700002601660700002401686856012901710 2020 eng d a2574-096200aHexaaminobenzene derived two-dimensional polymer supercapacitor with high specific capacitance and energy density0 aHexaaminobenzene derived twodimensional polymer supercapacitor w cJUL  a6352-63590 v33 a

Recent research interest has been shifted toward energy storage devices, especially supercapacitors, which provide high specific power and long cycle life. In this context, two-dimensional organic polymers are a class of versatile materials found to be useful in energy storage applications. However, the performance is not promising due to the low capacitance, energy density, and cyclic stability. Here, we report a two-dimensional polymer derived from hexaaminobenzene and pyromellitic dianhydride and its excellent supercapacitor performance. The specific capacitance of the two-dimensional polymer is found to be 805 F g(-1) at 0.5 A g(-1) current density in galvanostatic charge-discharge, which is the highest among the organic twodimensional polymer and most of the carbon-based materials. The superior performance of the 2D-polymer compared to a model derivative (350 F g(-1) at 0.5 A g(-1) current density) points to the critical role of a 2D-platform to excel. The high energy density, excellent cyclic stability, and low self-discharge rate support the 2D-polymer supercapacitor as a promising candidate for futuristic applications.

10a2D-polymer10aenergy density10aEnergy storage10ahexaaminobenzene10asupercapacitor1 aWakchaure, Vivek, C.1 aKottaichamy, Alagar, R.1 aNidhankar, Aakash, D.1 aRanjeesh, Kayaramkodath, C.1 aNazrulla, Mohammed, A.1 aThotiyl, Musthafa, O.1 aBabu, Sukumaran, S. uhttps://library.ncl.res.in/content/hexaaminobenzene-derived-two-dimensional-polymer-supercapacitor-high-specific-capacitance02910nas a2200265 4500008004100000022001400041245014100055210006900196260000900265300001400274490000700288520197300295653001902268653002102287653002302308653002802331653002102359100002702380700002402407700002702431700002102458700001802479700002402497856012302521 2020 eng d a0947-653900aHierarchical nanoflower arrays of Co9S8-Ni3S2 on nickel foam: a highly efficient binder-free electrocatalyst for overall water splitting0 aHierarchical nanoflower arrays of Co9S8Ni3S2 on nickel foam a hi cJUN  a7900-79110 v263 a

Hydrogen production is vital for meeting future energy demands and managing environmental sustainability. Electrolysis of water is considered as the suitable method for H-2 generation in a carbon-free pathway. Herein, the synthesis of highly efficient Co9S8-Ni3S2 based hierarchical nanoflower arrays on nickel foam (NF) is explored through the one-pot hydrothermal method (Co9S8-Ni3S2/NF) for overall water splitting applications. The nanoflower arrays are self-supported on the NF without any binder, possessing the required porosity and structural characteristics. The obtained Co9S8-Ni3S2/NF displays high hydrogen evolution reaction (HER), as well as oxygen evolution reaction (OER), activities in 1 m KOH solution. The overpotentials exhibited by this system at 25 mA cm(-2) are nearly 277 and 102 mV for HER and OER, respectively, in 1 m KOH solution. Subsequently, the overall water splitting was performed in 1 m KOH solution by employing Co9S8-Ni3S2/NF as both the anode and cathode, where the system required only 1.49, 1.60, and 1.69 V to deliver the current densities of 10, 25, and 50 mA cm(-2), respectively. Comparison of the activity of Co9S8-Ni3S2/NF with the state-of-the-art Pt/C and RuO2 coated on NF displays an enhanced performance for Co9S8-Ni3S2/NF both in the half-cell as well as in the full cell, emphasizing the significance of the present work. The post analysis of the material after water electrolysis confirms that the surface Co(OH)(2) formed during the course of the reaction serves as the favorable active sites. Overall, the activity modulation achieved in the present case is attributed to the presence of the open-pore morphology of the as formed nanoflowers of Co9S8-Ni3S2 on NF and the simultaneous presence of the surface Co(OH)(2) along with the highly conducting Co9S8-Ni3S2 core, which facilitates the adsorption of the reactants and subsequently its conversion into the gaseous products during water electrolysis.

10acobalt sulfide10aelectrocatalysts10aHydrogen evolution10aoverall water splitting10aoxygen evolution1 aIllathvalappil, Rajith1 aWalko, Priyanka, S.1 aKanheerampockil, Fayis1 aBhat, Suresh, K.1 aDevi, Nandini1 aKurungot, Sreekumar uhttps://library.ncl.res.in/content/hierarchical-nanoflower-arrays-co9s8-ni3s2-nickel-foam-highly-efficient-binder-free02013nas a2200157 4500008004100000245014500041210007000186260000800256300002300264490000600287520136100293100001801654700002201672700002401694856013701718 2020 eng d00aHighly active Brønsted acidic silicon phosphate catalyst for direct conversion of glucose to levulinic acid in MIBK–water biphasic system0 aHighly active Brønsted acidic silicon phosphate catalyst for dir cJAN aArticle number: 510 v23 a

Due to depletion of fossil fuel reserves and environmental concerns demand the utilization of other renewable feedstocks such as biomass which is available abundantly in different quantities throughout the world. Catalytic transformation of this biomass or biomass-derived products such as glucose to valuable platform biochemicals viz: levulinic acid (LA) is academically as well as industrially important reaction. In the present work, Silicon phosphates (SixPO4) catalysts viz: Si10PO4, Si20PO4, Si30PO4, and Si40PO4 having solely Brønsted acidic properties were prepared by wet impregnation of H3PO4 (10–40 wt%) on fumed silica followed by calcination at 550 °C for 10 h. The prepared catalysts were characterized by various techniques such as XRD; NH3-TPD; FTIR etc. Formation of silicon phosphate structure was found to depend on % of P loading and its interaction with silica. The acidic property of SixPO4 catalyst was characterized by NH3-TPD and Pyridine-IR, confirmed that catalyst has exclusively strong Brønsted acidity. A high LA yield of 81 mol% over Si30PO4 has achieved at an optimized reaction condition of 140 °C; 10 h in MIBK–water (9:1) biphasic system.

1 aBokade, Vijay1 aMoondra, Hitakshi1 aNiphadkar, Prashant uhttps://library.ncl.res.in/content/highly-active-br%C3%B8nsted-acidic-silicon-phosphate-catalyst-direct-conversion-glucose-levulinic02306nas a2200277 4500008004100000022001400041245013200055210006900187260000800256300001400264490000800278520130000286653002601586653002301612653003001635653002101665653003901686653002701725100002401752700002201776700002801798700002601826700002501852700002401877856012701901 2020 eng d a1011-372X00aHighly dispersed MnOx nanoparticles on shape-controlled SiO2 spheres for ecofriendly selective allylic oxidation of cyclohexene0 aHighly dispersed MnOx nanoparticles on shapecontrolled SiO2 sphe cOCT a3023-30350 v1503 a

Shape-controlled metal nanomaterials are considered as a unique class of catalysts because of their synergistic size- and shape-dependent catalytic properties. This work reports the synthesis of a novel size- and shape-controlled catalyst, consisting of highly dispersed MnOx nanoparticles (average particle size of 4.5 nm) on shape-controlled SiO2 nanospheres (250-300 nm) for selective cyclohexene oxidation using air as the oxidant under solvent- and base-free conditions. The MnOx/SiO2 catalyst exhibited an excellent cyclohexene conversion (92%) with a high selectivity (96%) to the allylic products (2-cyclohexene-ol and 2-cyclohexene-one) under mild conditions, outperforming various SiO2 supported CoOx, FeOx, and CuOx catalysts. The better performance of shape-controlled MnOx/SiO2 nanocatalyst is due to high redox nature of Mn, uniform dispersion of smaller sized MnOx nanoparticles, and synergetic interaction between MnOx and SiO2 spheres, as evidenced by XPS and TEM studies. Further, the MnOx/SiO2 catalyst could be reused at least 5 times for selective cyclohexene oxidation with a negligible loss in its catalytic performance, indicating the excellent stability of shape-controlled metal nanocatalysts in organic synthesis under economically viable and mild conditions.

10aCyclohexene oxidation10aMnOx nanoparticles10aShape-controlled catalyst10aSiO2 nanospheres10aStructure-performance relationship10aSynergetic interaction1 aRao, Bolla, Govinda1 aSudarsanam, Putla1 aRao, Tumula, Venkateshw1 aAmin, Mohamad, Hassan1 aBhargava, Suresh, K.1 aReddy, Benjaram, M. uhttps://library.ncl.res.in/content/highly-dispersed-mnox-nanoparticles-shape-controlled-sio2-spheres-ecofriendly-selective01817nas a2200193 4500008004100000022001400041245013800055210006900193260000800262300001600270490000700286520107700293100002601370700002401396700002601420700002601446700002501472856012601497 2020 eng d a0022-246100aHighly durable Li-ion battery anode from Fe3O4 nanoparticles embedded in nitrogen-doped porous carbon with improved rate capabilities0 aHighly durable Liion battery anode from Fe3O4 nanoparticles embe cNOV a15667-156800 v553 a

For next generation, lithium-ion batteries (LIBs) developing high capacity anode materials are crucial with increasing demand of large-scale application. Conversion-type anode materials are promising if stable cycling behavior could be achieved. In this work, a nitrogen-doped porous carbon-Fe3O4(NPC-Fe3O4) nanocomposite is synthesized via a simple and scalable approach. Composite is prepared by pyrolysis of polymer silica hybrid PolyHIPE (high internal phase emulsion) into NPC, and Fe3O4 nanoparticles (NPs) are anchored on its surface via hydrothermal synthesis. As-prepared NPC-Fe3O4 nanocomposite delivers high reversible capacity of around 1001 mAhg(-1)at 0.1 Ag-1 current density and rate capabilities and displays excellent cycling stability as high as 95% capacity retention even after 400 cycles. Superior electrochemical performance of NPC-Fe3O4 is attributed to the hierarchical porous structure and nitrogen doping of carbon which shorten the diffusion path of Li+ and provide ample space to prevent aggregation of Fe3O nanoparticles. [GRAPHICS] .

1 aDeshmukh, Ashvini, B.1 aDwivedi, Pravin, K.1 aNalawade, Archana, C.1 aQureshi, Mohammed, S.1 aShelke, Manjusha, V. uhttps://library.ncl.res.in/content/highly-durable-li-ion-battery-anode-fe3o4-nanoparticles-embedded-nitrogen-doped-porous01563nas a2200265 4500008004100000022001400041245014800055210006900203260000900272300001100281490000700292520063500299653001600934653002200950653003100972653001901003653002901022100002201051700002101073700001901094700001901113700001701132700002001149856012801169 2020 eng d a0040-402000aHighly efficient chemoselective N-tert butoxycarbonylation of aliphatic/aromatic/heterocyclic amines using diphenylglycoluril as organocatalyst0 aHighly efficient chemoselective Ntert butoxycarbonylation of ali cJUN  a1312230 v763 a

An efficient approach for the Chemoselective N-tert-butoxycarbonylation of a variety of amines using diphenylglycoluril as organocatalyst has been described. For the first time, a plausible mechanism for the N-tert-butoxycarbonylation has been proposed using density functional theory (DFT) calculations supported by NMR studies. The reusability of the organocatalyst and observation of the desired N-Boc protected amines being formed without the formation of side products like urea, oxazolidinone, isocyanate, and N, N-di-Boc derivatives makes the present protocol desirable. (C) 2020 Elsevier Ltd. All rights reserved.

10aDFT studies10aDiphenylglycouril10aN-tert butoxycarbonylation10aorganocatalyst10aProton shuttle mechanism1 aAwasthi, Amardeep1 aMukherjee, Anagh1 aSingh, Mandeep1 aRathee, Garima1 aVanka, Kumar1 aChandra, Ramesh uhttps://library.ncl.res.in/content/highly-efficient-chemoselective-n-tert-butoxycarbonylation-aliphaticaromaticheterocyclic01435nas a2200241 4500008004100000022001400041245013200055210006900187260000800256300001100264490000800275520062700283653001200910653002100922653001000943653001500953653001600968100001900984700002401003700002101027700001801048856012701066 2020 eng d a1387-181100aHighly efficient micro-meso acidic H-USY catalyst for one step conversion of wheat straw to ethyl levulinate (biofuel additive)0 aHighly efficient micromeso acidic HUSY catalyst for one step con cOCT a1104740 v3063 a

Ethyl Levulinate (EL), biofuel additive can blend up to 20% with biodiesel to improve its fuel properties. Till the date, there are reports on homogeneous catalysts (H2SO4, ionic liquid) for synthesis of EL from raw biomass like wheat straw. To best of our knowledge, there is no single report on heterogeneous catalyst for one step synthesis of EL directly from wheat straw. This work is a successful attempt to use heterogeneous micro-meso acidic H-USY (post dealumination and desilication) for direct one step conversion of wheat straw to EL with higher EL yield 24.5 wt%, which is probably the highest so far.

10aAcidity10aethyl levulinate10aH-USY10aMicro-meso10aWheat straw1 aHeda, Jidnyasa1 aNiphadkar, Prashant1 aMudliar, Sandeep1 aBokade, Vijay uhttps://library.ncl.res.in/content/highly-efficient-micro-meso-acidic-h-usy-catalyst-one-step-conversion-wheat-straw-ethyl01241nas a2200289 4500008004100000022001400041245005300055210005300108260000800161300001200169490000600181520040000187653002900587653001400616653002200630653001200652653001600664100002000680700001700700700002700717700002400744700002500768700002500793700002400818700002400842856008500866 2020 eng d a2193-580700aHighly enantioselective synthesis of sitagliptin0 aHighly enantioselective synthesis of sitagliptin cFEB a189-1910 v93 a

A highly enantioselective synthesis of sitagliptin, a potent DPP-4 inhibitor, is reported. Explicitly identified chiral FerroLANE ligands in the presence of rhodium catalyze the asymmetric hydrogenation of an enamine to yield sitagliptin with excellent enantioselectivity (98% ee). The process was scaled up to 5 g and the final product was isolated as a phosphate salt with >99% ee.

10aasymmetric hydrogenation10acatalysis10aFerroLANE ligands10aRhodium10asitagliptin1 aKhopade, Kishor1 aSen, Anirban1 aBirajdar, Rajkumar, S.1 aPaulbudhe, Uday, P.1 aKavale, Dattatry, S.1 aShinde, Prashant, S.1 aMhaske, Santosh, B.1 aChikkali, Samir, H. uhttps://library.ncl.res.in/content/highly-enantioselective-synthesis-sitagliptin03073nas a2200277 4500008004100000022001400041245020500055210006900260260000800329300001100337490000800348520203700356653001802393653001102411653001902422653003702441653002302478100002202501700002302523700002402546700002302570700002602593700002802619700002802647856012002675 2020 eng d a1386-142500aHighly reproducible, simple and selective analytical method for extractive UV-visible spectrophotometric determination of ruthenium (III): analysis of catalyst, fissium alloy and sequential separation0 aHighly reproducible simple and selective analytical method for e cDEC a1188140 v2433 a

An easy and selective method has been developed for the extractive spectrophotometric determination of ruthenium(III) with 4-(4'-flurobenzylideneimino)-3-methyl-5-mercapto-1,2,4-triazole (FBIMMT) as a chelating reagent. The basis of the method is the formation of stable complex of `soft base' FBIMMT with `soft acid' ruthenium(M). The reagent FBIMMT in n-butanol easily forms extractable yellow coloured complex with ruthenium(III) in acetate buffer of pH 4.8. The absorbance of [Ru(III)-FBIMMT] complex is measured at 394 nm against the reagent blank. Good linearity range of concentration up to 27.0 mu g mL(-1) of ruthenium(III) is attained with correlation coefficient R-2 = 0.998. The optimum concentration range is 6 to 27.0 mu g mL(-1) which is deduced by Ringbom's plot. The apparent molar absorptivity found to be 2.75 x 10(3) L mol(-1) cm(-1). Some additional characteristics such as limit of detection (LOD = 0.48 mu g mL(-1)), limit of quantification (LOQ = 1.19 mu g mL(-1)), and Sandell's sensitivity (SS = of 0.0367 mu g cm(-2)) arc also estimated. The composition of [Ru (III)-FBIMMT1 complex has been established from Job's continuous variation method, mole ratio method, and log-log plot method. The specificity towards ruthenium(III) is well studied and appropriate masking agents are applied wherever required to boost it. The intra-day and inter-day precision values are found to be brilliant with % relative standard deviation of 0.52 and 0.68 respectively with % accuracy within the range of 99.00-100. The method is effectively used for determination of ruthenium(III) from water samples, binary and ternary synthetic mixtures, fissium alloy samples and catalyst materials. A scheme for sequential group separation of ruthenium(III), palladium(II) and osmium (VIII) has also been developed. The reproducible results of the present method confirm that the method has a good potential for quantitative determination of ruthenium(III) from various matrices. (C) 2020 Elsevier B.V. All rights reserved.

10aAlloy samples10aFBIMMT10aRuthenium(III)10aSpectrophotometric determination10aSynthetic mixtures1 aShaikh, Abdul, B.1 aBarache, Umesh, B.1 aKhogare, Balaji, T.1 aGoswami, Ritusmita1 aKokare, Balasaheb, N.1 aWadgaonkar, Prakash, P.1 aGaikwad, Shashikant, H. uhttps://library.ncl.res.in/content/highly-reproducible-simple-and-selective-analytical-method-extractive-uv-visible02428nas a2200241 4500008004100000022001400041245015600055210006900211260000800280300000900288490000700297520153600304100002101840700002301861700001901884700002701903700002601930700002001956700002701976700002802003700002802031856012702059 2020 eng d a2045-232200aHighly sensitive label-free bio-interfacial colorimetric sensor based on silk fibroin-gold nanocomposite for facile detection of chlorpyrifos pesticide0 aHighly sensitive labelfree biointerfacial colorimetric sensor ba cMAR a41980 v103 a

Herein, the preparation of gold nanoparticles-silk fibroin (SF-AuNPs) dispersion and its label-free colorimetric detection of the organophosphate pesticide, namely chlorpyrifos, at ppb level are reported. The silk fibroin solution was extracted from B. mori silk after performing degumming, dissolving and dialysis steps. This fibroin solution was used for synthesis of gold nanoparticles in-situ without using any external reducing and capping agent. X-ray Diffractometry (XRD), Field Emission Transmission Electron Microscopy (FETEM) along with Surface Plasmon Resonance based optical evaluation confirmed generation of gold nanoparticles within SF matrix. The resultant SF-AuNPs dispersion exhibited rapid and excellent colorimetric pesticide sensing response even at 10 ppb concentration. Effect of additional parameters viz. pH, ionic concentration and interference from other pesticide samples was also studied. Notably, SF-AuNPs dispersion exhibited selective colorimetric pesticide sensing response which can be calibrated. Furthermore, this method was extended to various simulated real life samples such as tap water, soil and agricultural products including plant residues to successfully detect the presence of chlorpyrifos pesticide. The proposed colorimetric sensor system is facile yet effective and can be employed by novice rural population and expert researchers alike. It can be exploited as preliminary tool for label-free colorimetric chlorpyrifos pesticide sensing in water and agricultural products.

1 aMane, Pramod, C.1 aShinde, Manish, D.1 aVarma, Sanjana1 aChaudhari, Bhushan, P.1 aFatehmulla, Amanullah1 aShahabuddin, M.1 aAmalnerkar, Dinesh, P.1 aAldhafiri, Abdullah, M.1 aChaudhari, Ravindra, D. uhttps://library.ncl.res.in/content/highly-sensitive-label-free-bio-interfacial-colorimetric-sensor-based-silk-fibroin-gold02789nas a2200301 4500008004100000022001400041245015300055210006900208260000800277300000700285490000800292520177100300653002102071653001402092653001302106653001002119653001502129653001802144100002302162700002702185700002302212700002402235700002602259700002902285700002902314700002002343856012402363 2020 eng d a0032-093500aHigh-throughput metabolomic and transcriptomic analyses vet the potential route of cerpegin biosynthesis in two varieties of Ceropegia bulbosa Roxb.0 aHighthroughput metabolomic and transcriptomic analyses vet the p cJAN a280 v2513 a

Ceropegia bulbosa is an important medicinal plant, used in the treatment of various ailments including diarrhea, dysentery, and syphilis. This is primarily attributed to the presence of pharmaceutically active secondary metabolites, especially cerpegin. As this plant belongs to an endemic threatened category, genomic resources are not available hampering exploration on the molecular basis of cerpegin accumulation till now. Therefore, we undertook high-throughput metabolomic and transcriptomic analyses using different tissues from two varieties namely, C. bulbosa var. bulbosa and C. bulbosa var. lushii. Metabolomic analysis revealed spatial and differential accumulation of various metabolites. We chemically synthesized and characterized the cerpegin and its derivatives by liquid chromatography tandem-mass spectrometry (LC-MS/MS). Importantly, these comparisons suggested the presence of cerpegin and 5-allyl cerpegin in all C. bulbosa tissues. Further, de novo transcriptome analysis indicated the presence of significant transcripts for secondary metabolic pathways through the Kyoto encyclopedia of genes and genomes database. Tissue-specific profiling of transcripts and metabolites showed a significant correlation, suggesting the intricate mechanism of cerpegin biosynthesis. The expression of potential candidate genes from the proposed cerpegin biosynthetic pathway was further validated by qRT-PCR and NanoString nCounter. Overall, our findings propose a potential route of cerpegin biosynthesis. Identified transcripts and metabolites have built a foundation as new molecular resources that could facilitate future research on biosynthesis, regulation, and engineering of cerpegin or other important metabolites in such non-model plants.

10a5-Allyl cerpegin10aCeropegia10aCerpegin10aLC-MS10ametabolite10aTranscriptome1 aGharat, Sachin, A.1 aShinde, Balkrishna, A.1 aMule, Ravindra, D.1 aPunekar, Sachin, A.1 aDholakia, Bhushan, B.1 aJayaramaiah, Ramesha, H.1 aRamaswamy, Gopalakrishna1 aGiri, Ashok, P. uhttps://library.ncl.res.in/content/high-throughput-metabolomic-and-transcriptomic-analyses-vet-potential-route-cerpegin02026nas a2200277 4500008004100000022001400041245012700055210006900182260000800251300001100259490000800270520106100278653003201339653002401371653001901395653003301414100002401447700000501471700002101476700002601497700001901523700002801542700002601570700002301596856012901619 2020 eng d a0045-653500aHydrophobic interpenetrating polyamide-PDMS membranes for desalination, pesticides removal and enhanced chlorine tolerance0 aHydrophobic interpenetrating polyamidePDMS membranes for desalin cNOV a1271790 v2583 a

Hydrophobic membranes for desalination and toxic organic pollutant removal have been fabricated using polyamide - PDMS (polydimethylsiloxane) chemistries in a one-step protocol. The curing of polyamide and PDMS are orthogonal and co-curing both networks imparts hydrophobicity to the thin film composite membranes. The membranes exhibit increased adsorption of pesticides from the feed water along with maintaining excellent salt rejection capability (97% NaCl rejection), thus giving the membranes a multifunctional character. Three toxic pesticides have been used in this study to demonstrate the viability of combining osmosis desalination technology with organic matter adsorption. The membranes also show excellent resistance to fouling by toxic pesticides (85% salt rejection vs 67% for commercial membranes in the presence of pesticides) and significantly improved chlorine tolerance (93.8% salt rejection vs 86.5% for commercial membranes after 20 h of exposure to sodium hypochlorite solution). (C) 2020 Elsevier Ltd. All rights reserved.

10aPDMS (Polydimethylsiloxane)10aPesticide rejection10aSalt rejection10aWater purification membranes1 aKhairkar, Shyam, R.1 a1 aShedge, Amol, A.1 aChhatre, Shraddha, Y.1 aSuresh, A., K.1 aChakrabarti, Subhananda1 aPatil, Vishwanath, R.1 aNagarkar, Amit, A. uhttps://library.ncl.res.in/content/hydrophobic-interpenetrating-polyamide-pdms-membranes-desalination-pesticides-removal-and01320nas a2200193 4500008004100000022001400041245011300055210006900168260000800237300001200245490000700257520064100264100001700905700001600922700001700938700002200955700002100977856012800998 2021 eng d a0021-882000aHerbicidal bio-assay of isocladosporin enantiomers and determination of its plausible absolute configuration0 aHerbicidal bioassay of isocladosporin enantiomers and determinat cAPR a280-2840 v743 a

A fungal metabolite, isocladosporin was isolated from natural fungus, Cladosporium cladosporioides in the mid of 90s. Due to the lack of optical rotation of isolated natural product sample, the absolute configuration of the natural product remained undetermined for more than two decades. Herein, we demonstrated an SAR study of enantiomers of isocladosporin in herbicidal bio-assay against wheat coleoptile. Using this study as a comparative tool we further proposed the plausible absolute configuration of natural isocladosporin for the first time. The assigned configuration was also supported through biogenetic precursors.

1 aMankad, Yash1 aDas, Pronay1 aPathan, Ejaj1 aDeshpande, V., M.1 aReddy, Srinivasa uhttps://library.ncl.res.in/content/herbicidal-bio-assay-isocladosporin-enantiomers-and-determination-its-plausible-absolute02663nas a2200229 4500008004100000022001400041245013900055210006900194260000900263300001400272490000800286520184200294100002802136700001602164700001902180700002202199700002102221700001902242700002202261700002002283856013002303 2021 eng d a0002-786300aHeterogeneous C-H functionalization in water via porous covalent organic framework nanofilms: a case of catalytic sphere transmutation0 aHeterogeneous CH functionalization in water via porous covalent  cJUN  a8426-84360 v1433 aHeterogeneous catalysis in water has not been explored beyond certain advantages such as recyclability and recovery of the catalysts from the reaction medium. Moreover, poor yield, extremely low selectivity, and active catalytic site deactivation further underrate the heterogeneous catalysis in water. Considering these facts, we have designed and synthesized solution-dispersible porous covalent organic framework (COF) nanospheres. We have used their distinctive morphology and dispersibility to functionalize unactivated C-H bonds of alkanes heterogeneously with high catalytic yield (42-99%) and enhanced regioand stereoselectivity (3 degrees:2 degrees = 105:1 for adamantane). Further, the fabrication of catalyst-immobilized COF nanofilms via covalent self-assembly of catalytic COF nanospheres for the first time has become the key toward converting the catalytically inactive homogeneous catalysts into active and effective heterogeneous catalysts operating in water. This unique covalent self-assembly occurs through the protrusion of the fibers at the interface of two nanospheres, transmuting the catalytic spheres into films without any leaching of catalyst molecules. The catalyst-immobilized porous COF nanofilms' chemical functionality and hydrophobic environment stabilize the high-valent transient active oxoiron(V) intermediate in water and restricts the active catalytic site's deactivation. These COF nanofilms functionalize the unactivated C-H bonds in water with a high catalytic yield (45-99%) and with a high degree of selectivity (cis:trans = 155:1; 3 degrees:2 degrees = 257:1, for cis-1,2-dimethylcyclohexane). To establish this approach's ``practical implementation'', we conducted the catalysis inflow (TON = 424 +/- 5) using catalyst-immobilized COF nanofilms fabricated on a macroporous polymeric support.1 aSasmal, Himadri, Sekhar1 aBag, Saikat1 aChandra, Bittu1 aMajumder, Poulami1 aKuiry, Himangshu1 aKarak, Suvendu1 aGupta, Sayam, Sen1 aBanerjee, Rahul uhttps://library.ncl.res.in/content/heterogeneous-c-h-functionalization-water-porous-covalent-organic-framework-nanofilms-case02950nas a2200145 4500008004100000245010000041210006900141260000800210490000800218520239000226100002202616700002002638700002102658856012502679 2021 eng d00aHeterogeneous nucleation in citrate synthesis of AgNPs: effect of mixing and solvation dynamics0 aHeterogeneous nucleation in citrate synthesis of AgNPs effect of cOCT0 v4213 a

The heterogeneity issues in silver nanoparticle nucleation (Lee-Meisel route) have been investigated. The final polydispersity and sphericity of the nanoparticles in the Lee-Meisel scheme are shown to depend upon the early time dynamics of silver-citrate complexation. The formation of macromolecular intermediary complexes in the early stages of the reaction is visualized based on online DLS data, TEM analysis, and the mass balances of silver and citrate ions. The reversible complexation between citrate ions and silver citrate is shown to be the limiting step that governs the directional growth of the nanoparticles. The dynamics of the complexation of citrate are seen to form a very rapid step and intense mixing was required for the complexation to happen uniformly across the reaction. This specific observation is also confirmed from the MD simulations. Thus, to get particles of high sphericity, irrespective of the reaction concentration, temperature, or reactor geometry, the mixing time should be <4 s and Da ~ 0.1. Optimal mixing conditions for isotropic growth are suggested based on the reaction kinetics and are also demonstrated with experimental evidence.

1 aDeshpande, J., B.1 aChakrabarty, S.1 aKulkarni, A., A. uhttps://library.ncl.res.in/content/heterogeneous-nucleation-citrate-synthesis-agnps-effect-mixing-and-solvation-dynamics01997nas a2200277 4500008004100000022001400041245015300055210006900208260000900277300001600286490000700302520105300309653002001362653002801382653001501410653001001425653003301435100002201468700001701490700001901507700001801526700001801544700001701562700001801579856012201597 2021 eng d a0272-884200aHierarchical ITO nanofibers coated Mn3O(4) nanoplates core-shell nanocomposites for high performance all-solid-state symmetric supercapacitor device0 aHierarchical ITO nanofibers coated Mn3O4 nanoplates coreshell na cNOV  a29771-297850 v473 aWe have made a first attempt to build a novel Tin doped indium oxide@Manganese oxide (ITO@Mn3O4) nanocomposite electrode to overcome the detriments of Mn3O4 such as low conductivity and small potential window. Herein, we have synthesized the ITO@Mn3O4 nanocomposite by growing Mn3O4 nanoplates over ITO nanofibers synthesized by electrospinning technique. Benefitted from, the high conductivity and negative operating potential window of ITO exceptionally increased in the electrochemical performance of ITO@Mn3O4 was observed. The specific capacitance of optimized ITO@Mn3O4 nanocomposite reached up to 823 F/g at 1 mA/ cm2 in a wide potential window of 2 V using Na2SO4 electrolyte. To determine the practical feasibility an ITO@Mn3O4//ITO@Mn3O4 all-solid-state symmetric device was developed, which operated very well in a 2.2 V voltage window. It was found to deliver a maximum energy density of 88 Wh/kg and a power density of 550 W/ kg. This novel composite inferred the significance of using simple design to build a high-performance device.10aelectrospinning10aITO@Mn3O4 nanocomposite10aPVA-LiClO410aSILAR10aSolid-state symmetric device1 aBeknalkar, S., A.1 aTeli, A., M.1 aHarale, N., S.1 aPawar, K., K.1 aPatil, D., S.1 aShin, J., C.1 aPatil, P., S. uhttps://library.ncl.res.in/content/hierarchical-ito-nanofibers-coated-mn3o4-nanoplates-core-shell-nanocomposites-high02023nas a2200241 4500008004100000022001400041245010800055210006900163260000800232300001100240490000800251520118700259653001601446653002101462653003001483653003301513653002001546100002401566700001601590700002301606700002501629856012701654 2021 eng d a0921-510700aHigh efficiency lithium storage in 3D composite foam of Co3O4 nanoparticles integrated carbon nanohorns0 aHigh efficiency lithium storage in 3D composite foam of Co3O4 na cJAN a1148390 v2633 a

A well-designed 3 dimensional (3D) nanocomposite foam of Co3O4 nanoparticles and functionalized carbon nano horns (CNH) is prepared by feasible wet chemistry followed by lyophilization. This 3D nanocomposite foam is evaluated electrochemically as anode material for lithium-ion battery (LIB). 3D hierarchical mesoporous hybrid of functionalized carbon nano horn-Co3O4 (CCO) shows excellent lithium storage properties with long cycle life due to high surface area, good conductivity, 3D interconnected mesoporous structure, mechanical and chemical stability and shortened diffusion path length for Li+ ions during lithiation-delithiation. The Co3O4 nanoparticles incorporated into interconnected CNH foam effectively increases the number of active sites of CCO nanocomposite and consequently increase in the reversible specific capacity and coulombic efficiency. Different compositions of CNH foam with Co3O4 nanoparticles are prepared, among which the CCO 1:1 foam displays reversible capacity of 797 mAhg1 at current density of 0.1 Ag-1 along with excellent rate performance. High specific capacity of around 702 mAhg(-1) is obtained even at the current density of 5 Ag-1.

10a3D CCO foam10acarbon nanohorns10aExcellent rate capability10aLi ion diffusion coefficient10aLong Cycle life1 aDwivedi, Pravin, K.1 aParte, Golu1 aThripuranthaka, M.1 aShelke, Manjusha, V. uhttps://library.ncl.res.in/content/high-efficiency-lithium-storage-3d-composite-foam-co3o4-nanoparticles-integrated-carbon02445nas a2200241 4500008004100000022001400041245013500055210006900190260000900259300001600268490000700284520158700291653002901878653002201907653001901929653001801948100001501966700002101981700001702002700002702019700003102046856012602077 2021 eng d a0272-884200aHighly compressible ceramic/polymer aerogel-based piezoelectric nanogenerators with enhanced mechanical energy harvesting property0 aHighly compressible ceramicpolymer aerogelbased piezoelectric na cJUN  a15750-157580 v473 a

Ceramic piezoelectric materials have orders of magnitude higher piezoelectric coefficients compared to polymers. However, their brittleness precludes imposition of large strains in mechanical energy harvesting applications. We report here that ice templating affords low bulk modulus lead-free aerogel piezoelectric nanogenerators (PENG) with unprecedented combination of flexibility and high piezoelectric response (voltage and power density). A modified ice templating protocol was used to fabricate piezoelectric nanocomposites of surface modified BaTiO3 (BTO) nanoparticles in crosslinked polyethylene imine. This protocol allowed incorporating a significantly high fraction of BTO particles (up to 83 wt %) in the aerogel, while retaining remarkably high compressibility and elastic recovery up to 80% strain. The output voltage, at an applied compressive force of 20 N (100 kPa), increased with BTO loading and a maximum output voltage of 11.6 V and power density of 7.22 ?W/cm2 (49.79 ?W/cm3) was obtained for PENG aerogels containing 83 wt% BTO, which is orders of magnitude higher than previously reported values for foam-based piezoelectric energy harvesters. The BTO/PEI PENGs also showed cyclic stability over 900 cycles of deformation. PENGs with higher porosity showed better elastic recovery and piezoelectric properties than lower porosity and higher BTO content aerogels. To the best of our knowledge, this is the first report to demonstrate the piezoelectric properties of high ceramic content aerogels having very high compressibility and elastic recovery.

10aCeramic polymer aerogels10aenergy harvesting10aice templating10apiezoelectric1 aRam, Farsa1 aSuresh, Karthika1 aTorris, Arun1 aKumaraswamy, Guruswamy1 aShanmuganathan, Kadhiravan uhttps://library.ncl.res.in/content/highly-compressible-ceramicpolymer-aerogel-based-piezoelectric-nanogenerators-enhanced00682nas a2200157 4500008004100000245014500041210006900186260000800255490000600263100002200269700002700291700002700318700002000345700002900365856013000394 2021 eng d00aHighly efficient and extremely simple protocol for the oxidation α-hydroxyphosphonates to α-ketophosphonates using Dess-Martin periodinane0 aHighly efficient and extremely simple protocol for the oxidation cJAN0 v41 aKupwade, Ravindra1 aMitragotri, Satish, D.1 aKulkarni, Makarand, A.1 aDesai, Uday, V.1 aWadagaonkar, Prakash, P. uhttps://library.ncl.res.in/content/highly-efficient-and-extremely-simple-protocol-oxidation-%CE%B1-hydroxyphosphonates-%CE%B101826nas a2200157 4500008004100000245013500041210006900176260000800245490000800253520117200261100002101433700001901454700003701473700002601510856013201536 2021 eng d00aHighly efficient and reusable Ru-NaY catalyst for the base free oxidation of 5-Hydroxymethylfurfural to 2,5-Furandicarboxylic acid0 aHighly efficient and reusable RuNaY catalyst for the base free o cSEP0 v3753 a

Oxidation of 5-hydroxymethylfurfural (HMF) to 2,5-furandicarboxylic acid (FDCA) is an important reaction for the production of recyclable bio-based polymers. Herein, we report a series of Ru nanoparticles supported on NaY zeolites catalysts for the oxidation of HMF to FDCA. The catalysts were prepared by simple ion exchanged method. Among all the catalysts, the optimized 3 wt % Ru-NaY catalyst showed superior catalytic activity under base free conditions with a shorter period of reaction time. The conversion of HMF was 100 % with 94 % FDCA yield. This catalyst was reused for fourth cycles, with an insignificant decrease in the yield of FDCA. H2-chemisorption and HRTEM studies confirmed that high metal dispersion and small size of Ru nanoparticles play vital roles for the HMF oxidation. In addition, the acidic hydroxyl groups of the supercage as well as higher amount of metallic Ru° are also responsible for the high yield and productivity of FDCA.

1 aKandasamy, Prabu1 aGogoi, Pranjal1 aVenugopalan, Aswathy, Thareparam1 aRaja, Thirumalaiswamy uhttps://library.ncl.res.in/content/highly-efficient-and-reusable-ru-nay-catalyst-base-free-oxidation-5-hydroxymethylfurfural-2502357nas a2200217 4500008004100000022001400041245006200055210006200117260000800179300001200187490000800199520169200207653001801899653002001917653001901937653002801956653001401984100002301998700002402021856009402045 2021 eng d a0957-582000aHighly efficient method of utilizing waste silica hazards0 aHighly efficient method of utilizing waste silica hazards cSEP a239-2480 v1533 aSilica gels are the significant commodity solid waste produced by organic laboratories and pharmaceutic industries. Although use of silica gels is continuously growing, the proper methods of re-utilizing silica waste are yet limited. Hence, it demands a non-traditional approach to transform these silica waste into some other useful products apart from using them as a well-known road construction materials. Hereby, we report the fabrication and applications of monolithic polymer-silica composites by ice-templating technique from laboratory waste silica-gels, using green approach. To the best of our knowledge, the fabrication of organic-inorganic hybrid sponges from the particles of hundreds of microns is not reported to date. Scaffolds S-60, S-120, S-180, and S-300, were prepared from laboratory discarded silica gels. The morphological, physicochemical, flame-retardant, and liquid absorbent properties of these self-standing scaffolds were analyzed. Results showed that the incorporation of silica particles in the scaffolds turned them into a flame-retardant sponge. These properties make the sponges ideal for making non-flammable cushions, applicable in automobiles, aircrafts, chemical laboratories, hospitals, and other areas of applications. Due to the large porous structures, these scaffolds possess excellent absorption properties and may absorb almost every kind of liquid ranging from oils to acids. Therefore, these scaffolds are also a remarkable absorber for oils and hazardous liquids spillage, such as acids, and can be used as foam for chemical packing applications. (C) 2021 Institution of Chemical Engineers. Published by Elsevier B.V. All rights reserved.10aAcid absorber10aFlame-retardant10aIce-templating10aLaboratory silica waste10ascaffolds1 aSingh, Anup, Kumar1 aSudhakar, Vediappan uhttps://library.ncl.res.in/content/highly-efficient-method-utilizing-waste-silica-hazards01912nas a2200193 4500008004100000022001400041245012200055210006900177260000800246300001600254490000700270520120800277100003401485700001701519700002001536700002401556700001701580856012101597 2021 eng d a2040-336400aHigh-voltage non-aqueous hybrid supercapacitor based on the N2200 polymer supported over multiwalled carbon nanotubes0 aHighvoltage nonaqueous hybrid supercapacitor based on the N2200  cJUL a12314-123260 v133 aP(NDI2OD-T2), also known as Polyera ActivInk N2200, is a widely accepted non-fullerene acceptor polymer that is used prominently in the energy harvesting application due to its ease of synthesis, high electron mobility, and other desirable semiconducting properties. With its recent foray into energy storage applications, there is tremendous potential for developing composites of N2200 with carbon nanotubes (CNTs) to improve its electrical properties and extend its applicability. Here we report a facile synthesis of an N2200 composite with multiwalled carbon nanotubes (MWCNTs) following an in situ approach to include MWCNTs into the polymer matrix, improving its electrochemical performance in an organic electrolyte (1 M LiClO4/propylene carbonate). The composite material with an optimum MWCNT content exhibits prominent redox behavior delivering a specific capacity of 80 mA h g((polymer))(-1) in a standard three-electrode cell. Moreover, the N2200/MWCNT composite material showing a battery-type electrochemical signature could perform as an efficient negative electrode in a high-voltage (2.4 V) hybrid supercapacitor device comprising capacitive activated carbon as the positive electrode.1 aWavhal, Bhaiyyasaheb, Anurath1 aGhosh, Meena1 aSharma, Sandeep1 aKurungot, Sreekumar1 aAsha, S., K. uhttps://library.ncl.res.in/content/high-voltage-non-aqueous-hybrid-supercapacitor-based-n2200-polymer-supported-over02175nas a2200241 4500008004100000022001400041245006200055210006100117260000800178300001400186490000700200520144600207653002901653653001601682653001101698653001801709653002501727653001501752100002901767700002201796700002401818856009101842 2021 eng d a0022-095700aHistorical overview of long-distance signalling in plants0 aHistorical overview of longdistance signalling in plants cMAY a4218-42360 v723 aBe it a small herb or a large tree, intra- and intercellular communication and long-distance signalling between distant organs are crucial for every aspect of plant development. The vascular system, comprising xylem and phloem, acts as a major conduit for the transmission of long-distance signals in plants. In addition to expanding our knowledge of vascular development, numerous reports in the past two decades revealed that selective populations of RNAs, proteins, and phytohormones function as mobile signals. Many of these signals were shown to regulate diverse physiological processes, such as flowering, leaf and root development, nutrient acquisition, crop yield, and biotic/abiotic stress responses. In this review, we summarize the significant discoveries made in the past 25 years, with emphasis on key mobile signalling molecules (mRNAs, proteins including RNA-binding proteins, and small RNAs) that have revolutionized our understanding of how plants integrate various intrinsic and external cues in orchestrating growth and development. Additionally, we provide detailed insights on the emerging molecular mechanisms that might control the selective trafficking and delivery of phloem-mobile RNAs to target tissues. We also highlight the cross-kingdom movement of mobile signals during plant-parasite relationships. Considering the dynamic functions of these signals, their implications in crop improvement are also discussed.10aLong-distance signalling10amobile RNAs10aphloem10aplasmodesmata10aRNA-binding proteins10asmall RNAs1 aKondhare, Kirtikumar, R.1 aPatil, Nikita, S.1 aBanerjee, Anjan, K. uhttps://library.ncl.res.in/content/historical-overview-long-distance-signalling-plants02177nas a2200301 4500008004100000022001400041245012500055210006900180260000900249300001100258490000800269520115900277653004601436653002701482653002401509653002201533653002001555653001601575653001301591653001301604653001501617100001601632700001901648700002601667700002901693700002201722856013101744 2021 eng d a0195-073800aHydrate-based carbon capture process: assessment of various packed bed systems for boosted kinetics of hydrate formation0 aHydratebased carbon capture process assessment of various packed cMAR  a0330050 v1433 a

The case for developing novel technologies for carbon dioxide (CO2) capture is fast gaining traction owing to increasing levels of anthropogenic CO2 being emitted into the atmosphere. Here, we have studied the hydrate-based carbon dioxide capture and separation process from a fundamental viewpoint by exploring the use of various packed bed media to enhance the kinetics of hydrate formation using pure CO2 as the hydrate former. We established the fixed bed reactor (FBR) configuration as a superior option over the commonly used stirred tank reactor (STR) setups typically used for hydrate formation studies by showing enhanced hydrate formation kinetics using the former. For the various packing material studied, we have observed silica gel with 100 nm pore size to return the best kinetic performance, corresponding to a water to hydrate conversion of 28 mol% for 3 h of hydrate growth. The fundamental results obtained in the present study set up a solid foundation for follow-up works with a more applied perspective and should be of interest to researchers working in the carbon dioxide capture and storage and gas hydrate fields alike.

10aair emissions from fossil fuel combustion10aCarbon dioxide capture10acombustion of waste10aFixed bed reactor10afuel combustion10aGas hydrate10ahydrates10akinetics10aSilica gel1 aArora, Amit1 aKumar, Asheesh1 aBhattacharjee, Gaurav1 aBalomajumder, Chandrajit1 aKumar, Pushpendra uhttps://library.ncl.res.in/content/hydrate-based-carbon-capture-process-assessment-various-packed-bed-systems-boosted-kinetics01422nas a2200289 4500008004100000022001400041245010600055210006900161260000800230300001100238490000700249520048600256653002300742653002100765653001900786653002300805100002000828700002200848700002400870700002400894700002000918700000500938700001600943700002300959700002100982856012901003 2021 eng d a0019-452200aHydrogenolysis of benzofuran using aqueous ethanol solution over graphite-supported platinum catalyst0 aHydrogenolysis of benzofuran using aqueous ethanol solution over cFEB a1000210 v983 aGraphite-supported platinum catalysts (Pt/G) were highly active for the hydrogenolysis of benzofuran to o-ethylphenol in aqueous ethanol solution at 523 K without using any external hydrogen gas. The hydrogenolysis activities and selectivity to o-ethylphenol in ethanol solution over Pt/G were higher than those with a conventional method using externally supplied hydrogen gas. Both water and ethanol were indispensable for the hydrogenolysis in aqueous ethanol solution at 523 K.10aBiomass conversion10aGraphite support10aHydrogenolysis10aplatinum catalysts1 aHiraishi, Yushi1 aMinakawa, Naohiro1 aTaniguchi, Kenkichi1 aNagasawa, Yoshiyuki1 aNanao, Hidetaka1 a1 aSato, Osamu1 aYamaguchi, Aritomo1 aShirai, Masayuki uhttps://library.ncl.res.in/content/hydrogenolysis-benzofuran-using-aqueous-ethanol-solution-over-graphite-supported-platinum01642nas a2200169 4500008004100000022001400041245012600055210006900181260000800250300001400258490000700272520099600279100002101275700002501296700002101321856013001342 2021 eng d a1144-054600aHydrogenolysis of glycerol in an aqueous medium over Pt/WO3/zirconium phosphate catalysts studied by H-1 NMR spectroscopy0 aHydrogenolysis of glycerol in an aqueous medium over PtWO3zircon cMAR a5013-50220 v453 a

Bifunctional Pt/WO3/zirconium phosphate catalyzes the liquid-phase hydrogenolysis of glycerol in an aqueous medium. H-1 NMR spectroscopy (solvent suppression pulse program) is employed to monitor this reaction. Propanediols (1,3 + 1,2-PDO) formed as the major product along with propanols (1- and 2-POs) as the minor product. A synergistic enhancement in glycerol conversion and selectivity to 1,3-PDO was observed when both Pt and WO3 were present in the catalyst. A volcano-shape variation of catalytic activity with W content was observed. A catalyst with 8 wt% W and 1 wt% Pt exhibited the highest selective hydrogenolysis performance (glycerol conversion = 92.3% and total PDOs selectivity = 45.9% and 1,3-PDO selectivity = 20.8% at 200 degrees C). Dispersed Pt in contact with polytungstate-type WO3 species was found to be the active catalytic site. H-1 NMR spectroscopy is demonstrated as an attractive technique to quantify the products of a glycerol hydrogenolysis reaction.

1 aBhowmik, Susmita1 aEnjamuri, Nagasuresh1 aDarbha, Srinivas uhttps://library.ncl.res.in/content/hydrogenolysis-glycerol-aqueous-medium-over-ptwo3zirconium-phosphate-catalysts-studied-h-105604nas a2200241 4500008004100000245014700041210006900188260000800257300001600265490000600281520472900287100002105016700002005037700001905057700003005076700002605106700002505132700001805157700001705175700002605192700001705218856012705235 2021 eng d00aHydrophilic 3D interconnected network of bacterial nanocellulose/black titania photothermal foams as an efficient interfacial solar evaporator0 aHydrophilic 3D interconnected network of bacterial nanocellulose cAPR a4373–43830 v43 a

The design and development of scalable, efficient photothermal evaporator systems that reduce microplastic pollution are highly desirable. Herein, a sustainable bacterial nanocellulose (BNC)-based self-floating bilayer photothermal foam (PTFb) is designed that eases the effective confinement of solar light for efficient freshwater production via interfacial heating. The sandwich nanoarchitectured porous bilayer solar evaporator consists of a top solar-harvesting blackbody layer composed of broad-spectrum active black titania (BT) nanoparticles embedded in the BNC matrix and a thick bottom layer of pristine BNC for agile thermal management, the efficient wicking of bulk water, and staying afloat. A decisive advantage of the BNC network is that it enables the fabrication of a lightweight photothermal foam with reduced thermal conductivity and high wet strength. Additionally, the hydrophilic three-dimensional (3D) interconnected porous network of BNC contributes to the fast evaporation of water under ambient solar conditions with reduced vaporization enthalpy by virtue of intermediated water generated via a BNC–water interaction. The fabricated PTFb is found to yield a water evaporation efficiency of 84.3% (under 1054 W m–2) with 4 wt % BT loading. Furthermore, scalable PTFb realized a water production rate of 1.26 L m–2 h–1 under real-time conditions. The developed eco-friendly BNC-supported BT foams could be used in applications such as solar desalination, contaminated water purification, extraction of water from moisture, etc., and thus could address one of the major present-day global concerns of drinking water scarcity.

1 aNabeela, Kallayi1 aThorat, Meghana1 aSumina, N., B.1 aRamachandran, Animesh, M.1 aThomas, Reny, Thankam1 aPreethikumar, Gopika1 aMohamed, Peer1 aAsok, Adersh1 aDastager, Syed, Gulam1 aPillai, Saju uhttps://library.ncl.res.in/content/hydrophilic-3d-interconnected-network-bacterial-nanocelluloseblack-titania-photothermal01138nas a2200193 4500008004100000022001400041245009600055210006900151260000800220300001400228490000700242520044500249100002800694700002700722700002100749700002200770700002600792856012600818 2021 eng d a1144-054600aHypervalent iodine(iii) induced oxidative olefination of benzylamines using Wittig reagents0 aHypervalent iodineiii induced oxidative olefination of benzylami cMAY a8806-88130 v453 a

We have developed hypervalent iodine(iii) induced oxidative olefination of primary and secondary benzylamines using 2C-Wittig reagents, which provides easy access to alpha,beta-unsaturated esters. Mild reaction conditions, good to excellent yields with high (E) selectivity, and a broad substrate scope are the key features of this reaction. We have successfully carried out the gram-scale synthesis of alpha,beta-unsaturated esters.

1 aRamavath, Vijayalakshmi1 aRupanawar, Bapurao, D.1 aMore, Satish, G.1 aBansode, Ajay, H.1 aSuryavanshi, Gurunath uhttps://library.ncl.res.in/content/hypervalent-iodineiii-induced-oxidative-olefination-benzylamines-using-wittig-reagents02452nas a2200229 4500008004100000022001400041245011000055210006900165260000800234300001600242490000700258520164600265100001901911700001701930700002501947700002201972700002001994700002602014700002702040700002902067856012602096 2022 eng d a2050-748800aHeterostructure from heteromixture: unusual OER activity of FeP and CoP nanostructures on physical mixing0 aHeterostructure from heteromixture unusual OER activity of FeP a cNOV a22354-223620 v103 a

Heterointerfaces generated by inter-domain interactions on a nanoscale play a critical role in altering the activity of an electrocatalyst towards an electrochemical process. Heterointerfaces affect the surface characteristics, electronic structure, and physicochemical properties of a nanomaterial. Herein, we report an FeP-CoP heterostructure prepared by simple physical mixing of FeP and CoP nanostructures showing a remarkable performance towards water oxidation in comparison to their individual monometallic phosphides. FeP mixed with 20 wt% CoP shows a low overpotential (eta(10)) of 220 mV as compared to FeP (eta(10), 325 mV). Furthermore, a high current density of 1.37 A cm(-2) and mass activity of 18 987 A g(M)(-1) were also achieved at 500 mV overpotential in 1.0 M KOH. The physical mixture shows immense stability for 200 h to achieve a high current density of 200 mA cm(-2). Meanwhile the potentiostatic performance of FeP at 200 mA cm(-2) decreases to an extent of 50% in 40 h. A full cell arrangement employing this catalyst as the anode material requires 1.56 V to attain a current density of 10 mA cm(-2). Various characterization techniques, control experiments and theoretical studies indicate that the formation of heterointerfaces between the nano-domains of FeP and CoP results in charge transfer between Fe and Co metal sites. In addition, an oxygenated surface at the metal phosphide interface favours the sorption kinetics of intermediates involved in the reaction leading to low energy barriers in the potential determining and other steps, thus showing improved performance towards water oxidation.

1 aBhutani, Divya1 aMaity, Sisir1 aChaturvedi, Shashank1 aChalapathi, Divya1 aWaghmare, Umesh1 aNarayana, Chandrabhas1 aPrabhakaran, Vinod, C.1 aMuthusamy, Eswaramoorthy uhttps://library.ncl.res.in/content/heterostructure-heteromixture-unusual-oer-activity-fep-and-cop-nanostructures-physical02041nas a2200229 4500008004100000022001400041245017900055210006900234260000800303300001100311490000700322520120100329653000901530653002201539653002901561653002301590653000901613100001701622700002401639700001801663856013001681 2022 eng d a1944-744200aHierarchical TS-1 for epoxidation of non-edible Karanja (Millettia pinnata) oil methyl ester to methyl epoxioleate (biodiesel additive) in presence of H2O2 as oxidizing agent0 aHierarchical TS1 for epoxidation of nonedible Karanja Millettia  cMAY ae137660 v413 a

Application of non-edible Karanja (Millettia pinnata) oil which is abundantly available in India is not explored so far. The present study is an attempt to convert fatty acid methyl ester (FAME) obtained from Karanja oil to methyl epoxioleate over hierarchical titanosilicate (TS-1) catalyst. Methyl epoxioleate, a biodiesel additive can blend up to 20% with biodiesels to improve oxidative stability and cold flow properties of biodiesel. A series of hierarchical TS-1 were prepared by desilication of parent TS-1 with 0.1 N NaOH at 80 degrees C for 1, 3, 5, and 7 h, respectively. Samples were characterized by powder XRD, low temperature nitrogen adsorption/desorption, and TEM. Eighty percent FAME conversion with 70% yield of methyl epoxioleate was obtained over 5H-TS-1 catalyst. The enhanced catalytic activity of a 5H-TS-1 compared to parent TS-1 mainly attributed to the high mesoporosity coupled with well-preserved crystallinity. 5H-TS-1 catalyst was found to be completely reusable after calcination at 500 degrees C for 12 h. Hierarchical 5H-TS-1 catalyst for effective conversion of non-edible Karanja oil methyl ester to methyl epoxioleate probably not reported so far.

10aH2O210ahierarchical TS-110aKaranja oil methyl ester10amethyl epoxioleate10aTS-11 aAnil, Reshma1 aNiphadkar, Prashant1 aBokade, Vijay uhttps://library.ncl.res.in/content/hierarchical-ts-1-epoxidation-non-edible-karanja-millettia-pinnata-oil-methyl-ester-methyl02709nas a2200313 4500008004100000022001400041245011200055210006900167260000900236300001100245490000800256520169600264653001901960653001701979653001701996653002402013653001502037653001502052100002602067700001802093700002302111700002502134700001802159700001802177700002302195700002302218700002302241856013102264 2022 eng d a0048-969700aHigh throughput sequencing based direct detection of SARS-CoV-2 fragments in wastewater of Pune, West India0 aHigh throughput sequencing based direct detection of SARSCoV2 fr cFEB  a1510380 v8073 aGiven a large number of SARS-CoV-2 infected individuals, clinical detection has proved challenging. The wastewater-based epidemiological paradigm would cover the clinically escaped asymptomatic individuals owing to the faecal shedding of the virus. We hypothesised using wastewater as a valuable resource for analysing SARS-CoV-2 mutations circulating in the wastewater of Pune region (Maharashtra; India), one of the most affected during the covid-19 pandemic. We conducted study in open wastewater drains from December 2020- March 2021 to assess the presence of SARS-CoV-2 nucleic acid and further detect mutations using ARTIC protocol of MinION sequencing. The analysis revealed 108 mutations across six samples categorised into 39 types of mutations. We report the occurrence of mutations associated with Delta variant lineage in March-2021 samples, simultaneously also reported as a Variant of Concern (VoC) responsible for the rapid increase in infections. The study also revealed four mutations; S:N801, S:C480R, NSP14:C279F and NSP3:L550del not currently reported from wastewater or clinical data in India but reported worldwide. Further, a novel mutation NSP13:G206F mapping to NSP13 region was observed from wastewater. Notably, S:P1140del mutation was detected in December 2020 samples while it was reported in February 2021 from clinical data, indicating the instrumentality of wastewater data in early detection. This is the first study in India to demonstrate utility of sequencing in wastewater based epidemiology to identify mutations associated with SARS-CoV-2 virus fragments from wastewater as an early warning indicator system. (c) 2021 Elsevier B.V. All rights reserved.10aARTIC protocol10aEpidemiology10aMetagenomics10aNanopore sequencing10aSARS-CoV-210awastewater1 aDharmadhikari, Tanmay1 aRajput, Vinay1 aYadav, Rakeshkumar1 aBoargaonkar, Radhika1 aPatil, Dhawal1 aKale, Saurabh1 aKamble, Sanjay, P.1 aDastager, Syed, G.1 aDharne, Mahesh, S. uhttps://library.ncl.res.in/content/high-throughput-sequencing-based-direct-detection-sars-cov-2-fragments-wastewater-pune-west02535nas a2200277 4500008004100000245020600041210006900247260000800316300001200324490000600336520152200342653001501864653002501879653001901904653002101923653002301944653002001967100002901987700002202016700001902038700001802057700002502075700001902100700001902119856011902138 2022 eng d00aHigh-alkaline water-splitting activity of mesoporous 3D heterostructures: an amorphous-shell@crystalline-core nano-assembly of Co-Ni-phosphate ultrathin-nanosheets and V- doped cobalt-nitride nanowires0 aHighalkaline watersplitting activity of mesoporous 3D heterostru cAUG a22013110 v93 a

Introducing amorphous and ultrathin nanosheets of transition bimetal phosphate arrays that are highly active in the oxygen evolution reaction (OER) as shells over an electronically modulated crystalline core with low hydrogen absorption energy for an excellent hydrogen evolution reaction (HER) can boost the sluggish kinetics of the OER and HER in alkaline electrolytes. Therefore, in this study, ultrathin and amorphous cobalt-nickel-phosphate (CoNiPOx) nanosheet arrays are deposited over vanadium (V)-doped cobalt-nitride (V-3%-Co4N) crystalline core nanowires to obtain amorphous-shell@crystalline-core mesoporous 3D-heterostructures (CoNiPOx@V-Co4N/NF) as bifunctional electrocatalysts. The optimized electrocatalyst shows extremely low HER and OER overpotentials of 53 and 270 mV at 10 mA cm(-2), respectively. The CoNiPOx@V-3%-Co4N/NF (+/-) electrolyzer utilizing the electrocatalyst as both anode and cathode demonstrates remarkable overall water-splitting activity, requiring a cell potential of only 1.52 V at 10 mA cm(-2), 30 mV lower than that of the RuO2/NF (+)/20%-Pt/C/NF (-) electrolyzer. Such impressive bifunctional activities can be attributed to abundant active sites, adjusted electronic structure, lower charge-transfer resistance, enhanced electrochemically active surface area (ECSA), and surface- and volume-confined electrocatalysis resulting from the synergistic effects of the crystalline V-3%-Co4N core and amorphous CoNiPOx shells boosting water splitting in alkaline media.

10acore-shell10ahydrogen productions10ametal nitrides10ametal phosphates10asynergistic effect10awater-splitting1 aSingh, Thangjam, Ibomcha1 aMaibam, Ashakiran1 aCha, Dun, Chan1 aYoo, Sunghoon1 aBabaRao, Ravichandar1 aLee, Sang, Uck1 aLee, Seunghyun uhttps://library.ncl.res.in/content/high-alkaline-water-splitting-activity-mesoporous-3d-heterostructures-amorphous02005nas a2200241 4500008004100000022001400041245011700055210006900172260000800241300001500249490000600264520116300270653001401433653002001447653001401467653002001481653002501501100002901526700002701555700003001582700002101612856013001633 2022 eng d a2365-654900aHighly efficient and reusable polymer supported palladium catalyst for copper free sonogashira reaction in water0 aHighly efficient and reusable polymer supported palladium cataly cAPR ae2021042730 v73 a

Development of a novel, greener and efficient heterogeneous catalytic system for copper free Sonogashira reaction in water is described. This novel catalyst can be easily prepared by a simple method through synthetic modification of nitrile group in Polyacrylonitrile (PAN) using monoethanolamine (MEA) followed by its complexation with palladium chloride (PdCl2). The resulting polymer Pd complex (mPAN-Pd) was characterized by means of Fourier Transform Infrared Spectroscopy (FTIR), Energy-Dispersive X-ray Spectroscopy (EDAX), Inductively Coupled Mass Spectrometry (ICP-MS) and X-ray Photo Electron Spectroscopy (XPS) analyses. mPAN-Pd was then explored as highly efficient heterogeneous catalyst for Sonogashira coupling reaction under copper and ligand free conditions in water affording the corresponding coupling products up to 97 % isolated yield. Moreover, the catalyst was recovered by simple filtration after the reaction and reused for next 5 cycles with excellent stability and activity. This is the first report on the use of ethanolamine modified PAN Pd (II) complex as an efficient heterogeneous catalyst for a coupling reaction.

10acatalysis10agreen chemistry10aPalladium10aPolymer Support10aSonogashira coupling1 aSruthi, Pambingal, Rajan1 aNimmi, Puthan, Purayil1 aBabu, Sukumaran, Santhosh1 aAnas, Saithalavi uhttps://library.ncl.res.in/content/highly-efficient-and-reusable-polymer-supported-palladium-catalyst-copper-free-sonogashira01750nas a2200241 4500008004100000022001400041245010900055210006900164260000800233300001500241490000600256520092800262653001001190653001101200653002401211653002801235653001701263100002301280700002901303700002301332700002501355856012801380 2022 eng d a2365-654900aHighly efficient chemoselective hydrogenation of 5-HMF to BHMF over reusable bimetallic Pd-Ir/C catalyst0 aHighly efficient chemoselective hydrogenation of 5HMF to BHMF ov cJUN ae2022004560 v73 a

Catalytic synergism was observed for a bimetallic Pd-Ir catalyst supported on activated carbon for chemoselective hydrogenation of 5-hydroxymetahyl furfural (5-HMF) to 2, 5-(bishydroxymethyl) furan (BHMF) with complete conversion and 97 % selectivity under very mild reaction conditions. The structural characterization like XRD, N-2 sorption, FE-SEM and TEM suggested formation of fine nanoparticles (1.95-3.08 nm) having very higher surface area, uniform distribution and mesoporous nature of the material. XPS spectra and Pyridine-IR spectroscopy revealed formation of Pd-PdO and Ir/IrO2/IrO3 interface on the catalytic surface along with strong Bronsted acidic sites which were responsible for high efficiency of catalyst at 80 degrees C, 100 psig H-2 pressure at 5-HMF/Catalyst=20 and within 2.5 h of reaction time. A plausible reaction mechanism is also elucidated based on structure activity correlation.

10a5-HMF10aCarbon10aCatalytic synergism10aSelective hydrogenation10aValorization1 aRatrey, Geetanjali1 aSolanki, Bhanupratap, S.1 aKamble, Sanjay, P.1 aRode, Chandrashekhar uhttps://library.ncl.res.in/content/highly-efficient-chemoselective-hydrogenation-5-hmf-bhmf-over-reusable-bimetallic-pd-irc01651nas a2200205 4500008004100000022001400041245015700055210006900212260000800281300001400289490000800303520088500311653002801196653001301224653001201237653002001249100002001269700002501289856013101314 2022 eng d a1011-372X00aHighly efficient zirconium based carbonaceous solid acid catalyst for selective synthesis of 5-HMF from fructose and glucose in isopropanol as a solvent0 aHighly efficient zirconium based carbonaceous solid acid catalys cAUG a1703-17100 v1523 a

A new zirconium based carbonaceous solid acid catalyst Zr@CC-PA with both Lewis and Bronsted acidic sites was prepared by simultaneous carbonization and phosphonation of glucose followed by incorporation of zirconium metal on the surface of the catalyst. The catalyst was easy to prepare and the synthesized catalyst was well characterized using different techniques such as FT-IR, P-XRD, EDAX, SEM, TEM and XPS analysis. The catalytic activity was evaluated for synthesis of a very important platform chemical 5-HMF from fructose to glucose using isopropanol as a solvent. The catalyst was found to be highly efficient giving 86% yield of 5-HMF from fructose and 45% yield from glucose with high selectively. The catalyst can be reused at least four times without depreciation in its catalytic activity. The catalytic method developed is efficient, green and economical.

10a5-Hydroxymethylfurfural10afructose10aglucose10aZirconium based1 aJori, Popat, K.1 aJadhav, Vrushali, H. uhttps://library.ncl.res.in/content/highly-efficient-zirconium-based-carbonaceous-solid-acid-catalyst-selective-synthesis-5-hmf01984nas a2200241 4500008004100000022001400041245007200055210006900127260000800196300001100204490000900215520126100224653001001485653001701495653001001512653001701522653001701539653000801556653001901564100002001583700003601603856010301639 2022 eng d a0167-488900aHistone deacetylase-6 modulates Tau function in Alzheimer's disease0 aHistone deacetylase6 modulates Tau function in Alzheimers diseas cAUG a1192750 v18693 a

Alzheimer's disease (AD), one of the major tauopathies, is multifactorial with a massive demand for disease modifying treatments rather than symptom management. An AD-affected neuron shows Tau depositions generated due to overload on the proteostasis machinery of the cell and/or abnormal post-translational modifications on Tau protein. Loss of memory or dementia is the most significant concern in AD, occurring due to the loss of neurons and the connections between them. In a healthy brain, neurons interact with the environment and each other through extensions and migratory structures. It can thus be safe to assume that Tau depositions affect these growth structures in neurons. A Histone Deacetylase, HDAC6, has shown elevated levels in AD while also demonstrating direct interaction with the Tau protein. HDAC6 interacts with multiple proteins in the cell and is possibly involved in various signalling pathways. Its deacetylase activity has been a point of controversy in AD; however other functional domains remain unexplored. This review highlights the beneficial potential of HDAC6 in AD in mediating both Tau proteostasis and cytoskeletal rewiring for the neuritic extensions through its Ubiquitin Binding domain (HDAC6 ZnF UBP).

10aActin10aCytoskeleton10aHDAC610aMicrotubules10aProteostasis10aTau10aZnF UBP domain1 aQureshi, Tazeen1 aChinnathambi, Subashchandrabose uhttps://library.ncl.res.in/content/histone-deacetylase-6-modulates-tau-function-alzheimers-disease02920nas a2200253 4500008004100000022001400041245010000055210006900155260000800224300001200232520206200244653003102306653002002337653001602357653002802373653001102401653001402412653002502426653001602451100002602467700002002493700002802513856012502541 2022 eng d a0167-685700aHomo and heterologous expression of the HpPKS2 gene in Hypericum perforatum and Bacopa monnieri0 aHomo and heterologous expression of the HpPKS2 gene in Hypericum cJAN a215-2153 a

Hypericum perforatum has been known to produce hypericin and hyperforin that are used in treating mild to moderate depression. The HpPKS2 (H. perforatum polyketide synthase 2) gene is assumed to play a role in hypericin biosynthesis. The HpPKS2 gene was overexpressed in homologous H. perforatum in vitro grown plants through Agrobacterium tumefaciens-mediated genetic transformations. It leads to the establishment of seven glass house acclimatized transgenic lines. Among them, the HP12 transgenic plant showed 9.8 fold enhancement in hypericin content (379.4 +/- 10.3 mu g/g dry wt) followed by 3-fold in HP41 (117.1 +/- 4.5 mu g/g dry wt) as compared to control plants. This was further supported by the real-time PCR studies where it registered up to 5 fold enhancement of HpPKS2 gene expression. On the other hand, the heterologous expression of the HpPKS2 gene in Bacopa monnieri resulted in the establishment of five transgenic plant clones that were successfully acclimatized under glasshouse conditions. Among them, BT4 was found to be very slow-growing. The BT3 line showed maximum expression of the HpPKS2 gene which surprisingly also upregulates the expression of the other metabolic pathway genes of B. monierri namely isopentyl- diphosphate delta isomerase (IDDI), squaline synthase (SQS) and acetyl CoA C acetyltransferase (AA). The HPLC analysis in the heterologous system revealed the maximum production of bacopaside I (9.86 +/- 1.0 mg/g dry wt), bacopaside II (5.89 +/- 0.9 mg/g dry wt) and bacopasaponin C (3.59 +/- 0.3 mg/g dry wt) by transgenic lines BT8, BT3 and BT4, respectively. This enhancement in bacopaside I, bacopaside II and bacopasaponin C production was more than 26-fold, 5-fold and 21-fold, respectively in comparison to the control non transformed plants. Key message Overexpression of the HpPKS2 gene in H. perforatum led to higher hypericin content in the native system while its expression in the heterologous system i.e. B. monnieri also improves bacopaside I, bacopaside II and bacopasaponin C production.

10aAgrobacterium tumefacience10aBacopa monnieri10aBacopasides10aHeterologous expression10aHpPKS210aHypericin10aHypericum perforatum10aTransgenics1 aKhan, Shamshad, Ahmad1 aVerma, Priyanka1 aParasharami, Varsha, A. uhttps://library.ncl.res.in/content/homo-and-heterologous-expression-hppks2-gene-hypericum-perforatum-and-bacopa-monnieri02131nas a2200253 4500008004100000022001400041245009100055210006900146260000800215300001500223490000600238520129600244653002001540653002201560653002701582653004201609653001901651100002201670700002301692700002001715700001801735700000501753856011901758 2022 eng d a2199-692X00aHoneycomb boron carbon nitride as high-performance anode material for li-ion batteries0 aHoneycomb boron carbon nitride as highperformance anode material cJUL ae2022000560 v83 a

3D Porous carbon-based materials are well known for their excellent mechanical and electrochemical properties for various energy storage applications including Li-ion Battery (LIB) anodes. However, their commercial application is limited due to their low theoretical specific capacity. Heteroatom doping in carbonaceous networks proved an efficient way to modify the surface properties, which considerably improves the Li intake capacity and Li diffusion in porous carbon materials. In this work, we have synthesized 3D honeycomb boron carbon nitride (HBCN) from boric acid, glucose, and cyanamide. Silica nanoparticles (SiO2 NPs) are used as structure-directing agents to replicate well-organized honeycomb structures. HBCN possesses a high specific surface area (SSA) of similar to 597 m(2) g(-1), with a uniform porosity distribution, low charge transfer resistance, and steady Li flux. When analyzed as an anode material for LIB, HBCN demonstrated an excellent specific capacity of similar to 652 mAhg(-1) and 408 mAhg(-1) at an input current density of 100 mAg(-1) and 1 Ag-1 respectively and an energy density of 227 Wh kg(-1) at 1 C rate in a full cell LIB. These results indicate that the doping of B and N hetero atoms is significantly advantageous for LIBs application.

10a3D-Architecture10aHeteroatom Doping10aHigh-Performance Anode10aHoneycomb boron carbon nitride (HBCN)10aLi-ion battery1 aKarbhal, Indrapal1 aChaturvedi, Vikash1 aPatrike, Apurva1 aYadav, Poonam1 a uhttps://library.ncl.res.in/content/honeycomb-boron-carbon-nitride-high-performance-anode-material-li-ion-batteries03087nas a2200157 4500008004100000022001400041245010400055210006900159260000800228300001400236490000800250520251200258100002402770700002302794856011202817 2022 eng d a1520-610600aHow far is ``Bulk Water'' from interfaces? depends on the nature of the surface and what we measure0 aHow far is Bulk Water from interfaces depends on the nature of t cFEB a1125-11350 v1263 a

Using systematic molecular dynamics (MD) simulations, we revisit the question: At what distance from an interface do the properties of ``bulk water'' get recovered? We have considered three different kinds of interfaces: nonpolar (hydrophobic; isooctane-water interface), charged (negative; AOT bilayer), and polar (zwitterionic; POPC bilayer). In order to interrogate the extent of perturbation of the interfacial water molecules as a function of the distance from the interface, we utilize a diverse range of structural and dynamical parameters. To capture the structural perturbations, we look into local density (translational order), local tetrahedral order parameter, and dipolar orientation of the water molecules. We also explore the anisotropic diffusion of the water molecules in the direction perpendicular to the interface as well as the planar diffusion parallel to the interface in a distance dependent manner. In addition, the orientational time correlation functions have been computed to understand the extent of slowdown in the rotational dynamics. As expected, the electrostatic field emanating from the charged AOT interface seems to have the highest long-range effect on the orientational order and dynamics of the water molecules, whereas specific interactions like hydrogen bonding and electrostatic interaction lead to significant trapping and kinetic slowdown for both AOT and POPC (zwitterionic) very close to the interface. Our analysis highlights that not only the length-scale of perturbation depends on the nature of the interfaces and specific interactions but also the type of water property that we measure/calculate. Different water properties seem to have widely different length-scale of perturbation. Orientational order parameters seem to be perturbed to a much longer length-scale as compared to translational order parameters. The global orientational order of water can be perturbed even up to similar to 4-5 nm near the negatively charged AOT surface in the absence of any extra electrolyte. This observation has significant implication toward the interpretation of experimental measurements as well since different spectroscopic techniques would probe different parameters or water properties with possible mutual disagreement and inconsistency between different types of measurements. Thus, our study provides a broader and unifying perspective toward the aspect of ``context dependent'' structural and dynamical perturbation of ``interfacial water''.

1 aHande, Vrushali, R.1 aChakrabarty, Suman uhttps://library.ncl.res.in/content/how-far-bulk-water-interfaces-depends-nature-surface-and-what-we-measure02760nas a2200277 4500008004100000022001400041245013500055210006900190260000800259300001100267490000800278520181800286653001502104653001802119653001502137653002402152653002202176653001202198100001802210700003002228700002502258700001902283700002302302700002502325856013202350 2022 eng d a1387-181100aHybrid material for ferric ion detection & remediation: exceptional selectivity & adsorption capacity with biological applications0 aHybrid material for ferric ion detection remediation exceptional cJUN a1119450 v3383 a

In this work, naphthalimide derived functionalized silica material SiO2@NAPIA (2,2'((((propylazanediyl)bis (methylene))bis(2,1-phenylene))bis(oxy))bis(N-(1,3-dioxo-1H-benzo[de]i soquinoline-2(3H)-yl)acetamide)) was constructed as a dual signaling and remediation material for ferric ions from a pool of 35 common ions (cations and anions) in the aqueous system. The material Cubic SiO2 shows a high surface area (1104 m2/g, pore volume (1.510 cm3/g), and pore diameter (6.3 nm) in the mesoporous range, which reduces further on functionalization to get the final material SiO2@NAPIA. The ferric ion selectivity through fluorescence quenching displays a SternVolmer quenching constant (Ksv) of 7.8 x 108 M-1 with a LOD (Limit of detection) value of 0.11 mu M for ferricion, which is 48 times lower than the USEPA (United States Environmental Protection Agency) maximum contaminant level (5.35 mu M) in drinking water. This material also shows a very high adsorption capacity (664 mg/g) for ferric ions fitting the Langmuir model isotherm with R2 = 0.99, which can be easily stripped out, and the material can be recycled. This material was also used as a sensory probe material for biosensing of ferric ions through fluorescence imaging in living organisms like Artemia salina and quantification in the real environmental sample. Furthermore, the antibacterial activity inspired by the ferric ion chelating affinity shows good potency against several Gram-negative and Gram-positive bacterial strains. The Minimum Inhibitory Concentration (MIC) & Minimal Bactericidal Concentration (MBC) of the material against these pathogens were found to be 100 & 200 mu g/mL respectively. This material signifies superior activity with respect to the ferric-ion selective materials known in the literature.

10aAdsorption10aAntibacterial10aBiosensing10aFunctional material10aMesoporous silica10asensing1 aYadav, Sanjay1 aRajpurohit, Dushyantsingh1 aDash, Soumya, Ranjan1 aBhojani, Gopal1 aChatterjee, Shruti1 aPaital, Alok, Ranjan uhttps://library.ncl.res.in/content/hybrid-material-ferric-ion-detection-remediation-exceptional-selectivity-adsorption-capacity01676nas a2200181 4500008004100000022001400041245010900055210006900164260000800233300001600241490000700257520101300264100002201277700002201299700002701321700002301348856012301371 2022 eng d a0888-588500aHydrodechlorination of 4-chloro-2-aminophenol into a recyclable product using Ni- and Cu-based catalysts0 aHydrodechlorination of 4chloro2aminophenol into a recyclable pro cOCT a14433-144450 v613 a

The 4-chloro-2-amino phenol (4C2AP) bearing wastewater is produced while manufacturing dyes and pharma-ceutical ingredients. Ni-and Cu-based cost-effective catalysts were developed, typically characterized, and subjected to hydrodechlori-nation (HDC) of 4C2AP. The role of reducing agents, concentration, pH of wastewater, presence of salt, reaction temperature, catalyst reuse, and the kinetics was investigated. A selective makeover of 2-amino phenol (2AP) was analyzed by HPLC, LCMS, and NMR. A complete HDC of 4C2AP with remarkable selectivity (98%) toward 2AP was achieved using a Ni0 catalyst and NaBH4 at room temperature. It is observed that the alkaline condition, the presence of salt, and a high reaction temperature favor the HDC process. A maximum of 1 g L-1 of the Ni0 loading is found to be sufficient to dechlorinate the pollutant. It can be concluded that the catalytic HDC is a technically viable and inexpensive process for the conversion of 4C2AP into a valuable product, 2AP.

1 aShetty, Rohit, R.1 aRaut, Sandesh, S.1 aKulkarni, Prashant, S.1 aKamble, Sanjay, P. uhttps://library.ncl.res.in/content/hydrodechlorination-4-chloro-2-aminophenol-recyclable-product-using-ni-and-cu-based01991nas a2200217 4500008004100000022001400041245006100055210006100116260000800177300001100185490000800196520135900204653001401563653001201577653001401589653002101603653002301624100001701647700002401664856008501688 2022 eng d a0022-328X00aHydroformylation of olefins by metals other than rhodium0 aHydroformylation of olefins by metals other than rhodium cFEB a1222310 v9603 aMetal catalyzed hydroformylation of alkenes is an atom economic transformation to construct useful aldehydes and is being industrially practiced for decades. The most commonly used metal for this transformation on an industrial scale is rhodium. However, rhodium is rare, costly, and is depleting at a skyrocketing rate. Therefore, finding a suitable alternative to rhodium for metal-catalyzed hydroformylation has been on the radar of many academic and industrial researchers. This review presents the scientific advancements reported in the hydroformylation reaction using metals other than rhodium. An overview of recent progress in palladium, iridium, ruthenium, cobalt, platinum, and iron-catalyzed hydroformylation is presented. Hydroformylation of alkenes and alkynes, using syngas as well as syngas surrogates is examined. The evaluation of the current status of non-rhodium metals in hydroformylation suggests that the field is still in a nascent stage and, except cobalt, no other metal poses a significant challenge to the dominance of rhodium. Deep mechanistic understanding of rate-limiting elementary steps in the non-rhodium metals is largely missing and thus only limited success is reported. Intense research on ligand design, mechanistic understanding, and choice of non-rhodium metal precursors may change this scenario in near future.10aaldehydes10aalkenes10acatalysis10aHydroformylation10aNon-rhodium metals1 aKumar, Rohit1 aChikkali, Samir, H. uhttps://library.ncl.res.in/content/hydroformylation-olefins-metals-other-rhodium02377nas a2200229 4500008004100000022001400041245013800055210006900193260000800262300000600270490000800276520154700284653002801831653003501859653002401894653001801918653002401936100002301960700002101983700002202004856012102026 2022 eng d a0974-362600aHydrogen solubility in biphasic liquid reaction mixture of cinnamaldehyde hydrogenation: experimental and mathematical modeling study0 aHydrogen solubility in biphasic liquid reaction mixture of cinna cMAR a10 v1343 aThe solubility of hydrogen in the biphasic reaction mixture of cinnamaldehyde hydrogenation at 298 to 353 K has been determined in this work experimentally and by using a thermodynamic model. It is evident from many studies that the addition of extra phase, aqueous KOH as the fourth phase, to the three-phase cinnamaldehyde hydrogenation mixture [gas (hydrogen)-liquid (cinnamaldehyde + toluene)-solid (catalyst)] leads to enhancement of cinnamyl alcohol selectivity to a great extent. Determination of hydrogen solubility in this biphasic (organic-aqueous) reaction mixture is crucial to understand the intrinsic reaction kinetics of this reaction. The solubility of hydrogen was experimentally determined using a pressure drop method and reported in terms of Henry's constant. Firstly, hydrogen solubility was determined in pure components viz. toluene, cinnamaldehyde, and water followed by determination of its solubility in the cinnamaldehyde-toluene mixture, aqueous KOH, and eventually, in the reaction mixture containing the two immiscible liquid phases. The effect of changing concentrations in these mixtures and changing phase holdups in the total reaction mixture on hydrogen solubility was studied. Starting from pure components to the reaction mixture, the hydrogen solubility was predicted using a two-step thermodynamic approach involving regular solution theory and the theory of corresponding states. The solubility predictions from this thermodynamic model will be helpful in the accurate estimation of kinetic parameters.10abiphasic liquid mixture10agas-liquid-liquid-solid [GLLS]10ahydrogen solubility10aHydrogenation10athermodynamic model1 aKhan, Muzammil, Y.1 aJoshi, Sunil, S.1 aRanade, Vivek, V. uhttps://library.ncl.res.in/content/hydrogen-solubility-biphasic-liquid-reaction-mixture-cinnamaldehyde-hydrogenation01698nas a2200229 4500008004100000022001400041245006800055210006700123260000900190300001500199490000900214520100600223653001501229653001801244653001501262653001401277653001601291100001801307700002401325700001901349856010001368 2022 eng d a1434-194800aHypersilyl substituent in heavier low-valent group 14 chemistry0 aHypersilyl substituent in heavier lowvalent group 14 chemistry cAPR  ae2022000710 v20223 a

The isolation of unusual compounds with low-valent main-group elements would not have been possible without the development of a series of sterically demanding ligands with bulky substituents. While early literature recognizes the advent of the sterically demanding tris(trimethylsilyl)silyl (SiMe3)(3)Si- group, also known as hypersilyl group, to stabilize species with new coordination modes for the main group elements, it has largely been more recent studies that have utilized this group for isolating stable compounds with low-valent main-group elements. Such compounds are not only interesting from the structure-bonding point of view but showcase potential for small molecule activation under ambient conditions. This review will cover the recent developments in stabilizing unusual compounds with group 14 elements using the exceptionally strong sigma-donor properties and pronounced steric effects of the hypersilyl moiety, emphasizing their synthesis, structure, and reactivity.

10aGermylenes10aHydroboration10aHypersilyl10asilylenes10aStannylenes1 aGour, Kritika1 aBisai, Milan, Kumar1 aSen, Sakya, S. uhttps://library.ncl.res.in/content/hypersilyl-substituent-heavier-low-valent-group-14-chemistry02017nas a2200325 4500008004100000022001400041245012100055210006900176260000800245300001400253490000700267520098100274653001401255653001401269653001801283653002401301653001601325653001501341653001701356653000901373653002001382653000801402100002701410700002901437700002401466700002201490700002601512700002301538856013001561 2022 eng d a1743-588900aHyperthermia and doxorubicin release by Fol-LSMO nanoparticles induce apoptosis and autophagy in breast cancer cells0 aHyperthermia and doxorubicin release by FolLSMO nanoparticles in cOCT a1929-19490 v173 a

Background: Studies on the anticancer effects of lanthanum strontium manganese oxide (LSMO) nanoparticles (NPs)-mediated hyperthermia at cellular and molecular levels are scarce. Materials & methods: LSMO NPs conjugated with folic acid (Fol-LSMO NPs) were synthesized, followed by doxorubicin-loading (DoxFol-LSMO NPs), and their effects on breast cancer cells were investigated. Results: Hyperthermia (45 degrees C) and combination treatments exhibited the highest (similar to 95%) anticancer activity with increased oxidative stress. The involvement of intrinsic mitochondria-mediated apoptotic pathway and induction of autophagy was noted. Cellular and molecular evidence confirmed the crosstalk between apoptosis and autophagy, involving Beclin1, Bcl2 and Caspase-3 genes with free reactive oxygen species presence. Conclusion: The study confirmed hyperthermia and doxorubicin release by Fol-LSMO NPs induces apoptosis and autophagy in breast cancer cells.

10aApoptosis10aAutophagy10aBreast cancer10acombination therapy10adoxorubicin10aFolic acid10ahyperthermia10aLSMO10aMDA-MB231 cells10aPEG1 aKulkarni-Dwivedi, Neha1 aPatel, Pratikshkumar, R.1 aShravage, Bhupendra1 aUmrani, Rinku, D.1 aPaknikar, Kishore, M.1 aJadhav, Sachin, H. uhttps://library.ncl.res.in/content/hyperthermia-and-doxorubicin-release-fol-lsmo-nanoparticles-induce-apoptosis-and-autophagy01068nas a2200169 4500008004100000022001400041245015800055210006900213260000800282300001600290490000700306520038300313100002700696700002100723700002600744856012800770 2022 eng d a1144-054600aHypervalent-iodine-mediated oxidation followed by the acetoxylation/tosylation of alpha-substituted benzylamines to obtain alpha-acyloxy/tosyloxy ketones0 aHypervalentiodinemediated oxidation followed by the acetoxylatio cSEP a16832-168390 v463 a

An efficient and metal-free method has been developed for the sequential oxidation of alpha-alkylbenzylamines followed by acetoxylation or tosylation for the synthesis of alpha-acyloxy/tosyloxy ketones using hypervalent iodine(iii). The employment of a simple starting material, broad substrate scope and operational simplicity are the key features of this protocol.

1 aRupanawar, Bapurao, D.1 aMane, Kishor, D.1 aSuryavanshi, Gurunath uhttps://library.ncl.res.in/content/hypervalent-iodine-mediated-oxidation-followed-acetoxylationtosylation-alpha-substituted01154nas a2200193 4500008004100000022001400041245011400055210006900169260000900238300001600247490000700263520045600270100002300726700002100749700002100770700001700791700002500808856012700833 2023 eng d a1477-922600aH-atom site exchange in an iridium trans-dihydrogen/hydride complex, trans-[Ir(H)(?2-H2)(iPr)4(POCOP)(DMAP)]+0 aHatom site exchange in an iridium transdihydrogenhydride complex cOCT  a13858-138630 v523 a

Treatment of trans-[Ir(H)(N)(2)((iPr)4)(POCOP)(DMAP)][BAr4f] (2) with H-2 (1 bar) under ambient conditions (298 K) results in the formation of a trans-[Ir(H)(?(2)-H-2)((iPr)4)(POCOP)(DMAP)][BAr4f] (3) complex. Complex 3 exhibits H-atom site exchange between the bound H-2 and the hydride ligands which are mutually trans to one another. A plausible mechanism of this exchange involves metal-ligand cooperativity as studied by computations.

1 aAgrawal, Nisha, K.1 aGayathridevi, S.1 aDash, Soumya, R.1 aVanka, Kumar1 aJagirdar, Balaji, R. uhttps://library.ncl.res.in/content/h-atom-site-exchange-iridium-trans-dihydrogenhydride-complex-trans-irh2-h2ipr4pocopdmap02677nas a2200265 4500008004100000022001400041245008300055210006900138260000900207300001400216490000700230520184900237100001902086700001602105700001702121700002502138700001602163700001702179700001602196700001902212700002602231700002002257700002002277856011402297 2023 eng d a2041-652000aHierarchical covalent organic framework-foam for multi-enzyme tandem catalysis0 aHierarchical covalent organic frameworkfoam for multienzyme tand cJUN  a6643-66530 v143 a

Covalent organic frameworks (COFs) are ideal host matrices for biomolecule immobilization and biocatalysis due to their high porosity, various functionalities, and structural robustness. However, the porosity of COFs is limited to the micropore dimension, which restricts the immobilization of enzymes with large volumes and obstructs substrate flow during enzyme catalysis. A hierarchical 3D nanostructure possessing micro-, meso-, and macroporosity could be a beneficial host matrix for such enzyme catalysis. In this study, we employed an in situ CO2 gas effervescence technique to induce disordered macropores in the ordered 2D COF nanostructure, synthesizing hierarchical TpAzo COF-foam. The resulting TpAzo foam matrix facilitates the immobilization of multiple enzymes with higher immobilization efficiency (approximately 1.5 to 4-fold) than the COF. The immobilized cellulolytic enzymes, namely beta-glucosidase (BGL), cellobiohydrolase (CBH), and endoglucanase (EG), remain active inside the TpAzo foam. The immobilized BGL exhibited activity in organic solvents and stability at room temperature (25 degrees C). The enzyme-immobilized TpAzo foam exhibited significant activity towards the hydrolysis of p-nitrophenyl-beta-d-glucopyranoside (BGL@TpAzo-foam: K-m and V-max = 23.5 +/- 3.5 mM and 497.7 +/- 28.0 mu M min(-1)) and carboxymethylcellulose (CBH@TpAzo-foam: K-m and V-max = 18.3 +/- 4.0 mg mL(-1) and 85.2 +/- 9.6 mu M min(-1) and EG@TpAzo-foam: K-m and V-max = 13.2 +/- 2.0 mg mL(-1) and 102.2 +/- 7.1 mu M min(-1)). Subsequently, the multi-enzyme immobilized TpAzo foams were utilized to perform a one-pot tandem conversion from carboxymethylcellulose (CMC) to glucose with high recyclability (10 cycles). This work opens up the possibility of synthesizing enzymes immobilized in TpAzo foam for tandem catalysis.

1 aPaul, Satyadip1 aGupta, Mani1 aDey, Kaushik1 aMahato, Ashok, Kumar1 aBag, Saikat1 aTorris, Arun1 aGowd, Bhoje1 aSajid, Hasnain1 aAddicoat, Matthew, A.1 aDatta, Supratim1 aBanerjee, Rahul uhttps://library.ncl.res.in/content/hierarchical-covalent-organic-framework-foam-multi-enzyme-tandem-catalysis02163nas a2200217 4500008004100000022001400041245015500055210006900210260000800279300001600287490000700303520136200310100002301672700002001695700001901715700002901734700002101763700001801784700001901802856012401821 2023 eng d a2050-748800aHigh open-circuit voltage in lead sulfide quantum dot solar cells via solution-phase ligand exchange with low electron affinity cadmium halides0 aHigh opencircuit voltage in lead sulfide quantum dot solar cells cAUG a17282-172910 v113 a

The deployment of colloidal quantum dots (QDs) in building high-performance solar cells and other optoelectronic applications relies on the passivation of unsaturated surface atoms through ligand engineering to attain a trap-free energy bandgap and strong QD coupling while maintaining the quantum confinement effect. Despite major advancements in surface passivation strategies, the open circuit voltage (V-oc) of lead sulfide (PbS) QD solar cells is limited by undesirable sub-bandgap states and high-bandtail states. The most advanced solution-phase ligand exchange strategy for PbS QDs depends on lead halide ligands, which improved the photocurrent and fill factor in QD solar cells significantly, but only an incremental change in V-oc is observed. Here we showcase a solution-phase hybrid ligand passivation strategy for PbS QDs using shallow electron affinity cadmium halide and thiol ligands. The cadmium halide ligand treatment results in the sub-monolayer substitution of surface Pb atoms by Cd atoms. The photophysical properties of QDs improve significantly to show intense band edge emission, diminished trap emission and reduced Urbach tail states. The photovoltaic devices built using cadmium halide-treated QDs show low reverse saturation current, which helps to attain a record 0.7 V V-oc (for a 1.28 eV bandgap) and 12.3% PCE.

1 aDambhare, Neha, V.1 aBiswas, Arindam1 aSharma, Anjali1 aShinde, Dipak, Dattatray1 aMahajan, Chandan1 aMitra, Anurag1 aRath, Arup, K. uhttps://library.ncl.res.in/content/high-open-circuit-voltage-lead-sulfide-quantum-dot-solar-cells-solution-phase-ligand02738nas a2200289 4500008004100000022001400041245016500055210006900220260000800289300001100297490000700308520168400315653002501999653003302024653002402057653004502081653003402126653002702160100002002187700002202207700001902229700001702248700002202265700002602287700000502313856013002318 2023 eng d a2352-152X00aHigh rate, high temperature, dendrite free plating/stripping of Li in 3-dimensional honeycomb boron carbon nitride to realize an ultrastable lithium metal anode0 aHigh rate high temperature dendrite free platingstripping of Li  cSEP a1075470 v683 a

Lithium (Li) metal could be the anode of choice for energy dense Li-batteries owing to its high theoretical specific capacity. However, low coulombic efficiency and poor safety on account of the occurrence of the Li-dendrites during charging-discharging pose a bottleneck for practical applications. In this work, we report a high-rate plating and stripping of Li through host engineering to realize ultrastable Li metal anode (LMA). Benchmark plating/stripping efficiency could be achieved via uniquely structured, highly ordered honeycomb boron carbon nitride (HBCN) as a functional scaffold. Boron and nitrogen doping, large surface area and ordered mesoporous structure induce homogeneous solid electrolyte interface (SEI) layer formation and provide numerous nucleation sites with subsequent dendrite-free growth with 99.98 % coulombic efficiency at 8 mA cm(-2) high current and 10 mAh cm(-2) capacity over 3000 cycles. Via post-cycling advanced characterizations techniques of Ex-situ XPS, 3D X-ray micro-tomography analyses and FESEM, we demonstrate the formation of a stable SEI layer and morphological changes that occurred during Li plating cycles in the HBCN structure. Computational studies validate the high lithium plating-stripping efficacy of HBCN to its highly ordered porous nature, exothermic Li-binding and upshift in the Fermi levels. When tested at elevated temperature (50 degrees C), a stable Li plating-stripping in HBCN is realised at 4 mA cm(-2) current and 10 mAh cm(-2) capacity values with similar to 100 % C.E. Furthermore, we report the results of testing a Li metal cell comprised of Li deposited HBCN anode and LiFePO4 (LFP) cathode.

10aBoron carbon nitride10aDendrite-free Li metal anode10aFunctional scaffold10aHigh temperature plating/stripping of Li10aMolecular planarity parameter10aX-ray micro-tomography1 aPatrike, Apurva1 aKarbhal, Indrapal1 aWasnik, Kundan1 aTorris, Arun1 aMaibam, Ashakiran1 aKrishnamurty, Sailaja1 a uhttps://library.ncl.res.in/content/high-rate-high-temperature-dendrite-free-platingstripping-li-3-dimensional-honeycomb-boron02420nas a2200241 4500008004100000022001400041245017000055210006900225260000800294300001200302490000700314520153400321653002401855653001301879653002001892653002501912653003001937100002401967700001701991700002502008700002002033856012502053 2023 eng d a0959-810300aHighly interconnected porous monolithic and beaded polymers using high internal phase emulsion polymerization: tuning porous architecture through synthesis variables0 aHighly interconnected porous monolithic and beaded polymers usin cAPR a451-4660 v723 a

Open porous polymeric materials have gained popularity due to their exceptional properties and applications in tissue engineering scaffolds, drug delivery, enzyme immobilization and catalysis support. This study developed a novel two-stage approach to create networked, crosslinked poly(2-hydroxyethyl methacrylate-co-N,N'-methylenebisacrylamide) HEMA-MBA beads. The first part involves producing an oil-in-water-in-oil high internal phase emulsion (HIPE). This is followed by suspension polymerization using a redox initiator pair. In this study, a mixed surfactant combination with low and high hydrophilicity-lipophilicity balance surfactants was identified and successfully utilized to prepare a stable oil-in-water-in-oil HIPE. The effect of crosslinker concentration (i.e. crosslink density), surfactant concentration and monomer-to-porogen ratio on pore architecture and surface area were successfully evaluated. In addition, a new protocol was developed to synthesize HEMA-MBA monoliths using an oil-in-water HIPE method at ambient temperature using a redox initiator pair. The effect of crosslink density and oil phase on pore architecture and surface area was evaluated. Key variables affecting the morphology of porous HEMA-MBA beads and monoliths were identified and quantified, allowing future development of porous HEMA-based polymer beads and monoliths with tunable morphologies which are suitable for numerous applications, especially in the biomedical field. (c) 2022 Society of Industrial Chemistry.

10aHIPE polymerization10aporosity10aporous polymers10aredox polymerization10aSuspension polymerization1 aPonrathnam, Timothy1 aBehere, Isha1 aPonrathnam, Surendra1 aIngavle, Ganesh uhttps://library.ncl.res.in/content/highly-interconnected-porous-monolithic-and-beaded-polymers-using-high-internal-phase01960nas a2200301 4500008004100000022001400041245004800055210004700103260000900150490000700159520111600166653001601282653001601298653002201314653001201336653001501348653001501363653000601378100002401384700002401408700001701432700002601449700002601475700001801501700002801519700002801547856008301575 2023 eng d a1860-717900aHistidinal-based potent antimalarial agents0 aHistidinalbased potent antimalarial agents cMAY 0 v183 a

Herein we report the synthesis and evaluation of peptide-histidinal conjugated drug scaffolds, which have the potential to target the hemoglobin-degrading proteases falcipain-2/3 from the human malaria parasite. Scaffolds with various substitutions were tested for antimalarial activity, and compounds 8 g, 8 h, and 15 exhibited EC50 values of similar to 0.018 mu M, similar to 0.069 mu M, and similar to 0.02 mu M, respectively. Structure-based docking studies on falcipain-2/3 proteases (PDB:2GHU and PDB:3BWK) revealed that compounds 8 g, 8 h, and 15 interact strongly with binding sites of falcipain-2/3 in a substrate-like manner. In silico ADME studies revealed that the molecules of interest showed no or minimal violations of drug-likeness parameters. Further, phenotypic assays revealed that compound 8 g and its biotinylated version inhibit hemoglobin degradation in the parasite food vacuole. The identification of falcipain-2/3 targeting potent inhibitors of the malaria parasite can serve as a starting point for the development of lead compounds as future antimalarial drug candidates.

10aartemisinin10achloroquine10adigestive vacuole10adocking10afalcipains10afalciparum10aP1 aMeena, Chhuttan, L.1 aHingamire, Tejashri1 aGupta, Tanya1 aDeshmukh, Bhagyashree1 aKarmodiya, Krishanpal1 aJoshi, Rakesh1 aShanmugam, Dhanasekaran1 aSanjayan, Gangadhar, J. uhttps://library.ncl.res.in/content/histidinal-based-potent-antimalarial-agents02412nas a2200205 4500008004100000022001400041245009200055210006900147260000900216300001600225490000700241520169800248653001601946653003001962653002301992100002802015700002102043700002302064856011902087 2023 eng d a0888-588500aHydrodynamics, residence time distribution, and mass transfer in spiral coils in series0 aHydrodynamics residence time distribution and mass transfer in s cDEC  a21822-218340 v623 a

Here, we report the analysis of flow field, residence time distribution (RTD), and mass transfer for the novel design of a spiral coil reactor (SCR) consisting of five spiral coils connected in series. Each coil comprises 8 turns with minimum and maximum radii of curvatures of 15 and 45 mm, respectively. The SCR is made up of an SS 316 tube (1/8 in. approximate to 3.175 mm O.D. and 1.8 mm I.D.), with a total length of 3.89 m. Experiments, as well as three-dimensional (3D) CFD simulations, are carried out to study the effects of the flow rate (61 <= Re-in <= 1839) on spatial variations in velocity and pressure distribution within the individual coils of the reactor. The flow regime is observed to undergo a transition from stable laminar flow for a lesser Dean number (De < 50) to dominant secondary flow vortices for De > 80. During the flow from the inner to the outer turns of the coil, the tangential velocity increases with a decreasing curvature ratio (delta), and the opposite occurs during the flow from the outer to the inner turns of the coil. Experimental RTD results show that the extent of axial dispersion decays exponentially with increasing Re and remains constant for Re > 500. For liquid-liquid two-phase flow, the spiral coils in series offer a mass transfer coefficient comparable to those of static mixers and agitated contactors but with significantly lesser power consumption per unit volume. This work gives new insights into the design of a spiral coil reactor suitable to carry out single-phase and multiphase reactions efficiently as possibly the most space-filling option of tubular reactors with excellent transport characteristics.

10aGas- Liquid10aheat transfer coefficient10aLiquid Taylor Flow1 aKhan, Muzammilanwar, S.1 aDeore, Hital, S.1 aKulkarni, Amol, A. uhttps://library.ncl.res.in/content/hydrodynamics-residence-time-distribution-and-mass-transfer-spiral-coils-series02813nas a2200253 4500008004100000022001400041245008900055210006900144260000800213300001600221490000700237520198700244653000802231653003302239653002302272653001602295653002602311653002802337100002002365700001802385700001802403700001902421856011902440 2023 eng d a0360-319900aHydrogen from catalytic non-thermal plasma-assisted steam methane reforming reaction0 aHydrogen from catalytic nonthermal plasmaassisted steam methane  cJUL a24328-243410 v483 a

Steam methane reforming reaction was carried out in a dielectric barrier plasma reactor. A systematic study is conducted to understand the influence of input power, flow rate, and water for the conversion, yield, and selectivity of the reaction over strategically designed catalysts. In particular, the production rate and selectivity of the products (H2, CO and C2 hydrocarbons) are monitored. CeO2 was used as packing material, mixed with oxides of manganese or copper and their combination. The optimum Cu/CeO2 catalyst illustrated the production rate of 248.7 mmolg-1h-1 and 11.25 mmolg-1h-1 for H2, and CO, respectively at specific energy input of 19.8 JL-1. DFT calculations exhibit apparent change in electronic structure of the CeO2 after inclusion of oxides of manganese and copper that enhance interaction with methane. Based on these findings, a plausible mechanism is elucidatedSteam methane reforming reaction was carried out in a dielectric barrier plasma reactor. A systematic study is conducted to understand the influence of input power, flow rate, and water for the conversion, yield, and selectivity of the reaction over strategically designed catalysts. In particular, the production rate and selectivity of the products (H2, CO and C2 hydrocarbons) are monitored. CeO2 was used as packing material, mixed with oxides of manganese or copper and their combination. The optimum Cu/CeO2 catalyst illustrated the production rate of 248.7 mmolg-1h-1 and 11.25 mmolg-1h-1 for H2, and CO, respectively at specific energy input of 19.8 JL-1. DFT calculations exhibit apparent change in electronic structure of the CeO2 after inclusion of oxides of manganese and copper that enhance interaction with methane. Based on these findings, a plausible mechanism is elucidated which can help to design catalyst for other applications in non-thermal plasma atmosphere. & COPY; 2023 Hydrogen Energy Publications LLC. Published by Elsevier Ltd. All rights reserved.

10aDFT10aDielectric barrier discharge10aNon-thermal plasma10aselectivity10aSpecific energy input10aSteam methane reforming1 aBajpai, Abhinav1 aMehta, Shweta1 aJoshi, Kavita1 aKumar, Sushant uhttps://library.ncl.res.in/content/hydrogen-catalytic-non-thermal-plasma-assisted-steam-methane-reforming-reaction01872nas a2200253 4500008004100000022001400041245010100055210006900156260000900225300001000234490000800244520103000252653002601282653001401308653001801322653002401340653001101364653001501375100002301390700001801413700002501431700003201456856013001488 2023 eng d a0920-586100aHydrogenation of levulinic acid to gamma-valerolactone over nickel supported organoclay catalyst0 aHydrogenation of levulinic acid to gammavalerolactone over nicke cJAN  a36-490 v4083 a

In this work, a series of Ni/Organoclay catalysts with different Nickel loadings were prepared by the wetimpregnation method for the catalytic hydrogenation of levulinic acid (LA) to gamma-valerolactone (GVL). Reaction parameters such as reaction temperature, pressure, solvent effect, and wt% of catalyst were optimized to get excellent conversion of levulinic acid selectively to gamma-valerolactone. Ni/Organoclay with 30% Nickel loading exhibited 100% conversion of LA with 100% selectivity towards GVL at 140 degrees C and 3.0 MPa H2 pressure using 1,4-dioxane as a solvent in 5 h. Different bulk and surface characterization techniques such as XRD, BET, FE-SEM, HR-TEM, XPS, XRF, NH3-TPD, and H2-Chemisorption were used to characterize the Ni/Organoclay catalyst. BET and NH3-TPD analysis showed that the pre-treatment of bentonite with surfactant (CTAB) improved the pore volume, surface area, and acidity of Organoclay which assisted in improving the conversion and selectivity of LA and GVL respectively.

10a?-Valerolactone (GVL)10aBentonite10aHydrogenation10aLevulinic acid (LA)10aNickel10aorganoclay1 aKamble, Paresh, A.1 aVinod, C., P.1 aRathod, Virendra, K.1 aKantam, Mannepalli, Lakshmi uhttps://library.ncl.res.in/content/hydrogenation-levulinic-acid-gamma-valerolactone-over-nickel-supported-organoclay-catalyst03138nas a2200253 4500008004100000022001400041245012100055210006900176260000900245300001200254490000600266520224700272100001702519700002702536700002202563700002202585700001802607700002602625700002102651700001902672700003202691700003002723856013102753 2023 eng d a2055-675600aHydroxide ion-conducting viologen-bakelite organic frameworks for flexible solid-state zinc-air battery applications0 aHydroxide ionconducting viologenbakelite organic frameworks for  cJAN  a224-2340 v83 a

Adaptable polymer-based solid-state electrolytes can be a game-changer toward safe, lightweight flexible batteries. We present a robust Bakelite-type organic polymer covalently decked with viologen, triazine, and phenolic moieties. Its flexible structure with cationic viologen centers incorporates counter-balancing free hydroxide ions into the polymeric framework. By design, the aromatic groups and heteroatoms in the framework can be activated under an applied potential to prompt a push-pull drive, setting off the towing of hydroxide ions via weak electrostatic, van der Waals, and hydrogen-bond interactions. The frontier orbitals from a DFT-modeled structure certify this. The hydroxyl-polymer requires minimal KOH wetting to maintain a humid environment for Grotthuss-type transport. The hydroxide ion conductivity reaches a value of 1.4 x 10(-2) S cm(-1) at 80 degrees C and 95% RH, which is retained for over 15 h. We enhanced its practical utility by coating it as a thin solid-state separator-cum-electrolyte on readily available filter paper. The composite exhibits a conductivity of 4.5 x 10(-3) S cm(-1) at 80 degrees C and 95% RH. A zinc-air battery (ZAB) constructed using this polymer-coated paper as electrolyte yields a maximum power density of 115 mW cm(-2) and high specific capacitance of 435 mA h g(-1). The power density recorded for our ZAB is among the best reported for polymer electrolyte-based batteries. Subsequently, the flexible battery fabricated with IISERP-POF11_OH@FilterPaper exhibits an OCV of 1.44 V, and three batteries in series power a demo traffic signal. To underscore the efficiency of hydroxide ion transport through the complex multifunctional backbone of the polymer, we calculated the diffusion coefficient for OH- (Exp: 2.9 x 10(-5) cm(2) s(-1); Comp. 5.2 x 10(-6) cm(2) s(-1)) using electrochemical methods and MD simulations. Climbing-edge NEB calculations reveal a large energy barrier of 2.11 eV for Zn2+ to penetrate the polymer and identify hydroxide ions within the polymer, suggesting no undesirable Zn2+ crossover. Our findings assert the readily accessible C-C-linked cationic polymer's capacity as a solid-state electrolyte for ZABs and any anion-conducting membrane.

1 aRase, Deepak1 aIllathvalappil, Rajith1 aSingh, Himan, Dev1 aShekhar, Pragalbh1 aLeo, Liya, S.1 aChakraborty, Debanjan1 aHaldar, Sattwick1 aShelke, Ankita1 aAjithkumar, Thalasseril, G.1 aVaidhyanathan, Ramanathan uhttps://library.ncl.res.in/content/hydroxide-ion-conducting-viologen-bakelite-organic-frameworks-flexible-solid-state-zinc-air02128nas a2200241 4500008004100000022001400041245014400055210006900199260000800268300001100276490000800287520128400295653002501579653002201604653002301626653001501649653001701664100001901681700001901700700001901719700001701738856013101755 2024 eng d a0304-389400aHarnessing the potential of Achromobacter sp. M1 to remediate heavy metals from wastewater: genomic insights and environmental applications0 aHarnessing the potential of Achromobacter sp M1 to remediate hea cDEC a1361250 v4803 a

Lead, mercury, and cadmium are classified as toxic under the toxic Substances' Priority List by CDC-ATSDR (Center for Disease Control-Agency for Toxic Substances and Disease Registry). This toxic trio is capable of disrupting the one-health harmony due to its human, animal, and environmental hazards. The present study aimed in removing the toxic trio within 24 h using a novel Achromobacter sp. M1. Atomic absorption spectroscopic evaluation for removal efficiency of Pb, Hg, and Cd by M1 was 68.8 +/- 0.9%, 82.7 +/- 1.9%, and 94.9 +/- 1.2 %, respectively, within 24 h. Lab-scale evaluation of strain M1 with wastewater showed the removal of the toxic trio together with the reduction in TSS from 140 to 118 ppm, BOD from 100 to 58 ppm, and COD from 381 to 222 ppm. Furthermore, strain M1 was capable of mitigating heavy metal stress and promoting plant growth, evidenced through chlorophyll, malondialdehyde, and proline estimation, together with the production of indole acetic acid (23.84 mu g/mL), siderophore (85 %), and solubilization of silica (39.66 mu g/mL). Whole genome sequencing revealed an ANI of 89 %, indicating a novel species of Achromobacter genus. A total of 23 putative genes for Cd, Hg, and Pb resistance were identified through genome mining.

10aAchromobacter sp. M110aMetal biosorption10aMetal transporters10aToxic trio10aWhole genome1 aMahale, Mithil1 aSamson, Rachel1 aDharne, Mahesh1 aKodam, Kisan uhttps://library.ncl.res.in/content/harnessing-potential-achromobacter-sp-m1-remediate-heavy-metals-wastewater-genomic-insights02325nas a2200277 4500008004100000022001400041245009700055210006900152260000800221300001500229490000700244520139000251653003301641653003701674653002101711653002001732653002601752100001901778700002201797700002201819700002501841700001801866700001801884700001701902856012801919 2024 eng d a1864-563100aHeterogeneous acid-base organocatalyst for cascade deacetalisation-knoevenagel condensations0 aHeterogeneous acidbase organocatalyst for cascade deacetalisatio cDEC ae2024008660 v173 a

Multifunctional heterogeneous catalysts are an effective strategy to drive chemical cascades, with attendant time, resource and cost efficiencies by eliminating unit operations arising in normal multistep processes. Despite advances in the design of such catalysts, the fabrication of proximate, chemically antagonistic active sites remains a challenge for inorganic materials science. Hydrogen-bonded organocatalysts offer new opportunities for the molecular level design of multifunctional structures capable of stabilising antagonistic active sites. We report the catalytic application of a charge-assisted, hydrogen-bonded crystalline material, bis(melaminium)adipate (BMA), synthesised from melamine and adipic acid, which possesses proximate acid-base sites. BMA exhibits high activity for the cascade deacetalisation-Knoevenagel condensation of dimethyl acetals to form benzylidenemalononitriles under mild conditions in water; BMA is amenable to large-scale manufacture and recycling with minimal deactivation. Computational modelling of the melaminium cation in protonated BMA explains the observed catalytic reactivity, and identifies the first demethoxylation step as rate-limiting, which is in good agreement with time-dependent 1H NMR and kinetic experiments. A broad substrate scope for the cascade transformation of aromatic dimethyl acetals is demonstrated.

10aAntagonistic acid-base sites10aCharge-assisted hydrogen bonding10aChemical cascade10aorganocatalysis10aSustainable catalysis1 aChhetri, Ashis1 aMaibam, Ashakiran1 aManiam, Subashani1 aBabaRao, Ravichandar1 aWilson, Karen1 aLee, Adam, F.1 aMitra, Joyee uhttps://library.ncl.res.in/content/heterogeneous-acid-base-organocatalyst-cascade-deacetalisation-knoevenagel-condensations02780nas a2200361 4500008004100000022001400041245016100055210006900216260000900285300001600294490000700310520160800317653001501925653001701940653002201957653001301979653001401992653001102006100002102017700002102038700002202059700002102081700002202102700002202124700001902146700002302165700002102188700001802209700002302227700002502250700002002275856012302295 2024 eng d a1944-824400aHexagonal boron nitride quantum dots embedded on layer-by-layer films for peroxidase-assisted colorimetric detection of β-galactosidase producing pathogens0 aHexagonal boron nitride quantum dots embedded on layerbylayer fi cMAY  a26870-268850 v163 a

Pathogen detection has become a major research area all over the world for water quality surveillance and microbial risk assessment. Therefore, designing simple and sensitive detection kits plays a key role in envisaging and evaluating the risk of disease outbreaks and providing quality healthcare settings. Herein, we have designed a facile and low-cost colorimetric sensing strategy for the selective and sensitive determination of beta-galactosidase producing pathogens. The hexagonal boron nitride quantum dots (h-BN QDs) were established as a nanozyme that showed prominent peroxidase-like activity, which catalyzes 3,3 `,5,5 `-tetramethylbenzidine (TMB) oxidation by H2O2. The h-BN QDs were embedded on a layer-by-layer assembled agarose biopolymer. The beta-galactosidase enzyme partially degrades beta-1,4 glycosidic bonds of agarose polymer, resulting in accessibility of h-BN QDs on the solid surface. This assay can be conveniently conducted and analyzed by monitoring the blue color formation due to TMB oxidation within 30 min. The nanocomposite was stable for more than 90 days and was showing TMB oxidation after incubating it with Escherichia coli (E. coli). The limit of detection was calculated to be 1.8 x 10(6) and 1.5 x 10(6) CFU/mL for E. coli and Klebsiella pneumonia (K. pneumonia), respectively. Furthermore, this novel sensing approach is an attractive platform that was successfully applied to detect E. coli in spiked water samples and other food products with good accuracy, indicating its practical applicability for the detection of pathogens in real samples.

10abiopolymer10acolorimetric10ah-BN quantum dots10ananozyme10apathogens10aSensor1 aMajumdar, Sristi1 aGogoi, Devipriya1 aBoruah, Purna, K.1 aThakur, Ashutosh1 aSarmah, Priyakhee1 aGogoi, Parishmita1 aSarkar, Sanjib1 aPachani, Priyakshi1 aManna, Prasenjit1 aSaikia, Ratul1 aChaturvedi, Vikash1 aShelke, Manjusha, V.1 aDas, Manash, R. uhttps://library.ncl.res.in/content/hexagonal-boron-nitride-quantum-dots-embedded-layer-layer-films-peroxidase-assisted01474nas a2200181 4500008004100000022001400041245007800055210006900133260000800202300001600210490000800226520086800234100002001102700002001122700002701142700001801169856010501187 2024 eng d a1932-744700aHigh-capacity V2N MXene for multivalent ion batteries: an Ab initio study0 aHighcapacity V2N MXene for multivalent ion batteries an Ab initi cJUL a12840-128480 v1283 a

In this study, the electrochemical energy storage properties of V2N MXene as an electrode material for multivalent zinc (Zn2+) and calcium (Ca2+) ion rechargeable batteries have been studied using first-principles computations. Various properties like band structure, adsorption energy, diffusion kinetics, and open-circuit voltage are investigated using density functional theory. V2N MXene demonstrates metallic properties with a high structural stability and low diffusion barriers. Remarkably, Zn (976.4 mA h/g) and Ca (770.8 mA h/g)-adsorbed V2N MXene layers exhibit better storage capacity than the reported ones (517 mA h/g for zinc-intercalated CC@MnO2@Ti3C2TX and 598.63 mA h/g for calcium-intercalated V3C2/graphene). These findings make V2N MXene a highly promising cathode material for zinc and an anode material for calcium-ion batteries.

1 aSaharan, Sunita1 aGhanekar, Umesh1 aShivankar, Bhavana, R.1 aMeena, Shweta uhttps://library.ncl.res.in/content/high-capacity-v2n-mxene-multivalent-ion-batteries-ab-initio-study02643nas a2200313 4500008004100000022001400041245012700055210006900182260000800251300001600259490000700275520158000282653001601862653001501878653002201893653002101915653002101936100001901957700002301976700002501999700002402024700003002048700002302078700002002101700001802121700003102139700003002170856012902200 2024 eng d a1944-824400aHighly electrostrictive salt cocrystal and the piezoelectric nanogenerator application of its 3D-printed polymer composite0 aHighly electrostrictive salt cocrystal and the piezoelectric nan cMAY a26406-264160 v163 a

Ionic cocrystals with hydrogen bonding can form exciting materials with enhanced optical and electronic properties. We present a highly moisture-stable ammonium salt cocrystal [CH3C6H4CH(CH3)NH2][CH3C6H4CH(CH3)NH3][PF6] ((p-TEA)(p-TEAH)PF6) crystallizing in the polar monoclinic C2 space group. The asymmetry in (p-TEA)(p-TEAH)PF6 was induced by its chiral substituents, while the polar order and structural stability were achieved by using the octahedral PF6- anion and the consequent formation of salt cocrystal. The ferroelectric properties of (p-TEA)(p-TEAH)PF6 were confirmed through P-E loop measurements. Piezoresponse force microscopy (PFM) enabled the visualization of its domain structure with characteristic ``butterfly'' and hysteresis loops associated with ferro- and piezoelectric properties. Notably, (p-TEA)(p-TEAH)PF6 exhibits a large electrostrictive coefficient (Q(33)) value of 2.02 m(4) C-2, higher than those found for ceramic-based materials and comparable to that of polyvinylidene difluoride. Furthermore, the composite films of (p-TEA)(p-TEAH)PF6 with polycaprolactone (PCL) polymer and its gyroid-shaped 3D-printed composite scaled-up device, 3DP-Gy, were prepared and evaluated for piezoelectric energy-harvesting functionality. A high output voltage of 22.8 V and a power density of 118.5 mu W cm(-3) have been recorded for the 3DP-Gy device. Remarkably, no loss in voltage outputs was observed for the (p-TEA)(p-TEAH)PF6 devices even after exposure to 99% relative humidity, showcasing their utility under extremely humid conditions.

10a3D printing10acocrystals10aenergy harvesting10aferroelectricity10aPiezoelectricity1 aSahoo, Supriya1 aPanday, Rishukumar1 aKothavade, Premkumar1 aSharma, Vijay, Bhan1 aSowmiyanarayanan, Anirudh1 aPraveenkumar, Balu1 aZareba, Jan, K.1 aKabra, Dinesh1 aShanmuganathan, Kadhiravan1 aBoomishankar, Ramamoorthy uhttps://library.ncl.res.in/content/highly-electrostrictive-salt-cocrystal-and-piezoelectric-nanogenerator-application-its-3d01357nas a2200181 4500008004100000022001400041245011100055210006900166260000800235300001400243490000700257520069200264100002100956700002700977700001801004700002501022856012801047 2024 eng d a0022-326300aHighly selective C-N and C-S dual functionalization of 1,3-dicarbonyl derivatives using TBHP as an oxidant0 aHighly selective CN and CS dual functionalization of 13dicarbony cJUN a9371-93800 v893 a

A direct electrosynthesis/photocatalyst-free, atom-economical, and efficient method for the selective synthesis of (E)-3-amino-2-thiocyanato-alpha,beta-unsaturated carbonyl compounds is described through a given protocol. The present approach features the use of inexpensive ammonium thiocyanate to achieve dual functionalization of 1,3-dicarbonyl compounds using TBHP as an oxidant, providing a rapid and practical route to the selective formation of both C-N and C-S bonds via a radical process. This method offers a broad substrate scope with excellent yield and allows for further exploration of the products to construct heterocyclic compounds and other functionalities.

1 aBagad, Pooja, K.1 aDarole, Ratanamala, S.1 aKrishna, Rama1 aSenthilkumar, Beeran uhttps://library.ncl.res.in/content/highly-selective-c-n-and-c-s-dual-functionalization-13-dicarbonyl-derivatives-using-tbhp01253nas a2200181 4500008004100000022001400041245011300055210006900168260000900237300001400246490000700260520058900267100002300856700002400879700002300903700002100926856012400947 2024 eng d a1523-706000aHighly stereoselective diels-alder-based strategy for the synthesis of 3-epi-formicin A and 1-epi-formicin B0 aHighly stereoselective dielsalderbased strategy for the synthesi cAPR  a3961-39650 v263 a

The first enantioselective approach based on a highly stereoselective Diels-Alder reaction for the synthesis of 3-epi-formicin A and 1-epi-formicin B with rare N-acetylcysteamine-containing indenone thioesters is reported. The strategy utilizes a key Diels-Alder reaction to form the core hydrindane system with three contiguous stereocenters in very high levels of diastereo- and regioselectivity and one-pot oxidation/isomerization/dehydrogenation. The scope of this method was tested with different substrates to give cycloadducts in a highly diastereoselective manner.

1 aKhamkar, Sunil, L.1 aHandore, Kishor, L.1 aShinde, Harish, M.1 aReddy, Srinivasa uhttps://library.ncl.res.in/content/highly-stereoselective-diels-alder-based-strategy-synthesis-3-epi-formicin-and-1-epi01956nas a2200253 4500008004100000245010700041210006900148260000800217300001400225490000600239520115400245653001201399653000801411653001601419653001801435653000801453100001601461700001801477700002301495700001801518700001901536700001901555856012801574 2024 eng d00aHigh-performance photodetector from p-n junction of vertically aligned SnS2 and reduced graphene oxide0 aHighperformance photodetector from pn junction of vertically ali cSEP a6965-69730 v63 a

Semiconducting 2D transition metal dichalcogenides (TMDC) became very popular in photodetection due to their high mobility and high rate of generating electron and hole pairs. Over the past decade, MoS2 and WS2 became the most popular TMDC for several applications. On the other hand, due to the complex synthesis process compared to MoS2 and WS2, SnS2 became a less popular 2D material for photodetection. We synthesized vertically aligned SnS2 flakes by a chemical vapor deposition (CVD) process with three temperature zones with controlled argon (Ar) gas flow. Pristine SnS2-based devices are not very suitable for photodetection applications because of their low photo-to-dark current ratio (I ph /I (dark) ), high response time, and low stability. So, they need to be decorated with oppositely doped materials. We decorated pristine SnS2-based devices with rGO nanoparticles, which significantly increased the device's performance. We found a high responsivity (R) of 1.33 A/W, detectivity (D) of 6.95 x 10(11) Jones, I ph /I dark of 102, and a rise time of 0.241 ms (fall time of 1.318 ms) with the rGO decorated SnS2-based device.

10a2D-SnS210aCVD10ap-njunction10aphotodetector10arGO1 aDas, Chayan1 aKumar, Suresh1 aDambhare, Neha, V.1 aKumar, Mahesh1 aRath, Arup, K.1 aSahu, Satyajit uhttps://library.ncl.res.in/content/high-performance-photodetector-p-n-junction-vertically-aligned-sns2-and-reduced-graphene02546nas a2200217 4500008004100000022001400041245018000055210006900235260000800304300001600312490000800328520169900336100002702035700001902062700004002081700002302121700001902144700002402163700001702187856012402204 2024 eng d a1932-744700aHigh-voltage symmetric supercapacitor electrodes via in situ synthesized multiwalled carbon nanotube-doped perylenebisimide-based donor-acceptor conjugate polymer P(PDI2OD-T2)0 aHighvoltage symmetric supercapacitor electrodes via in situ synt cJUL a12808-128210 v1283 a

This study presents the design and synthesis of a donor-acceptor pi-conjugated polymer composite P(PDI2OD-T2)/MWCNT tailored for high-voltage symmetric supercapacitor applications. The synthesis of P(PDI2OD-T2)/MWCNT was expedited by adopting a novel in situ polymerization technique that modifies the traditional Stille polymerization process. Incorporating approximately 33% by weight of multiwalled carbon nanotubes (MWCNT) into the polymer matrix, referred to as P-2, significantly enhances its conductivity, surface area, and porosity. These improvements in the material properties contribute to the superior electrochemical performance of the composites by promoting efficient electrolyte ion transport across the electrode-electrolyte interfaces. The symmetric supercapacitor devices fabricated with P-2 electrodes employing both liquid organic (LE-P-2||P-2) and quasi-solid-state gel (QSS- P-2||P-2) electrolytes demonstrate capacitance values of 85.4 and 84.2 F g(-1), respectively, at a current density of 0.25 A g(-1), while operating at a high-voltage window of 3.1 V. Moreover, these devices exhibit robust cycling stability, maintaining approximately 70% of their initial capacitance over 45,000 cycles with a coulombic efficiency of 96%. The successful demonstration of a quasi-solid-state symmetric supercapacitor underscores the potential of flexible energy storage solutions, as evidenced by a PMMA LiClO4 gel electrolyte prototype. This flexible device not only maintains structural integrity but also achieves an impressive power density of 18,600 W kg(-1) and an energy density of 112.4 Wh kg(-1), indicating its practical viability for real-world applications.

1 aWavhal, Aryan, Anurath1 aDilwale, Swati1 aPuthiyaveetil, Priyanka, Pandinhare1 aKakde, Navnath, R.1 aPrakash, Medha1 aKurungot, Sreekumar1 aAsha, S., K. uhttps://library.ncl.res.in/content/high-voltage-symmetric-supercapacitor-electrodes-situ-synthesized-multiwalled-carbon01202nas a2200181 4500008004100000022001400041245010700055210006900162260000900231300001400240490000700254520054100261100002500802700002000827700002400847700001800871856013100889 2024 eng d a1359-734500aHybrid silylene-Pd catalyst: efficient C-N cross-coupling of sterically bulky amines and chiral amines0 aHybrid silylenePd catalyst efficient CN crosscoupling of sterica cSEP  a9958-99610 v603 a

Herein, we report a catalytic system with N-heterocyclic silylene (NHSi)-phosphine-based hybrid bidentate ligands [PhC(NtBu)2SiN(PR2)(2,6-iPr2-C6H3)] and Pd(dba)2, which serves as an effective catalyst for C-N cross-coupling of a wide range of sterically bulky amines and optically active amines, which is challenging otherwise. Herein, we report a hybrid silylene-based bidentate ligand (SiNP)-Pd(0) catalytic system, which performs the C-N coupling of difficult substrates, e.g., sterically bulky amines and chiral amines.

1 aKaulage, Sandeep, H.1 aParvin, Nasrina1 aKhopade, Kishor, V.1 aKhan, Shabana uhttps://library.ncl.res.in/content/hybrid-silylene-pd-catalyst-efficient-c-n-cross-coupling-sterically-bulky-amines-and-chiral02458nas a2200241 4500008004100000022001400041245012000055210006900175260000800244300001100252490000800263520161700271653001201888653001501900653002501915653002301940653002801963653002901991100002202020700002402042700001802066856013202084 2024 eng d a0960-148100aHydrogen evolution via photocatalytic reforming of biomass with palladium nanoparticles decorated g-C3N4 nanosheets0 aHydrogen evolution via photocatalytic reforming of biomass with  cSEP a1208110 v2303 a

Fossil fuel depletion and environmental toxins have made photocatalytic H2 production of paramount significance. A novel and unique technique for producing sustainable H2 and valorizing biomass using infinite solar energy is biomass photoreformation. Nevertheless, this environmentally friendly method is usually linked to severe reaction circumstances, insufficient selectivity, and restricted biomass conversion. Here, we present a novel one-pot photoreformation technique over porous g-C3N4 nanosheets surface-modified with Pd nano- particles to convert D-glucose to H2. By stacking the g-C3N4 photocatalyst into a 2D nanosheet structure, some of its inherent drawbacks can be mitigated. Furthermore, the inclusion of noble metal nanoparticles in these g-C3N4 nanosheet structures could significantly boost existing photocatalytic activity. The majority of solar radiation is composed of visible light, which makes up 45% of it, and ultraviolet light, which makes up 5%. Therefore, our focus has been on utilizing abundant visible light to facilitate biomass reformation. After 4 h of continuous irradiation, our composite photocatalyst exhibited exceptional visible light activity; its H2 evolution was 1839.84 mu molg- 1h- 1 , or about 27 times higher than that of undoped g-C3N4 nanosheets. The effectiveness of three different Pd loadings on g-C3N4 nanosheets for glucose reforming was examined. In the quest for an improved H2 evolution visible light active photocatalyst, g-C3N4 nanosheets made at various pyrolysis temperatures loaded with optimized Pd weight percentage were also examined.

10aBiomass10aD -glucose10ag-C 3 N 4 nanosheets10aHydrogen evolution10apalladium nanoparticles10aPhotocatalytic reforming1 aThara, Chinnu, R.1 aWalko, Priyanka, S.1 aMathew, Beena uhttps://library.ncl.res.in/content/hydrogen-evolution-photocatalytic-reforming-biomass-palladium-nanoparticles-decorated-g-c3n401791nas a2200241 4500008004100000022001400041245010500055210006900160260000900229300001100238490000800249520097500257653001301232653001801245653001101263653001501274653003101289100002301320700001801343700002501361700003201386856013101418 2024 eng d a0926-860X00aHydrogenation of furfural to tetrahydrofurfuryl alcohol over nickel-supported on organoclay catalyst0 aHydrogenation of furfural to tetrahydrofurfuryl alcohol over nic cMAR  a1196210 v6743 a

Nickel supported on organoclay prepared by the impregnation method provides excellent catalytic activity for the hydrogenation of furfural to tetrahydrofurfuryl alcohol. The relative amount of metal and acidic sites influences the hydrogenation reaction. Additionally, by varying the temperature and the H-2 pressure, we can regulate the interaction of furfural with the active sites. And this may decide the fate of the reaction whether it will undergo a two-step hydrogenation to form tetrahydrofurfuryl alcohol or a rearrangement reaction to form cyclopentanone/cyclopentanol. Water was found to be the best solvent for the selective formation of tetrahydrofurfuryl alcohol. Even though alcohols inhibited rearrangement reaction, the hydrogenation of furfural was more selective towards furfuryl alcohol. Ni/O-clay30A under the optimum conditions of 120 degrees C, 4.0 MPa, and in 1 h offered complete conversion of furfural to tetrahydrofurfuryl alcohol.

10afurfural10aHydrogenation10aNickel10aorganoclay10aTetrahydrofurfuryl alcohol1 aKamble, Paresh, A.1 aVinod, C., P.1 aRathod, Virendra, K.1 aKantam, Mannepalli, Lakshmi uhttps://library.ncl.res.in/content/hydrogenation-furfural-tetrahydrofurfuryl-alcohol-over-nickel-supported-organoclay-catalyst01719nas a2200229 4500008004100000022001400041245008100055210006900136260000800205490000700213520097500220653001201195653001801207653002501225653001101250653001301261100002301274700002801297700002501325700003201350856010701382 2024 eng d a1867-388000aHydrogenation of glucose to sorbitol by using nickel hydroxyapatite catalyst0 aHydrogenation of glucose to sorbitol by using nickel hydroxyapat cMAY0 v163 a

A series of nickel hydroxyapatite catalysts were synthesized by the co-precipitation method followed by calcination and reduction. These catalysts were employed for the aqueous phase hydrogenation of glucose to sorbitol. The Ni-HAP catalyst with comparatively high surface area and acid-base strength gave high sorbitol selectivity in 1 h. Ni-HAP-4 catalyst with moderate Ni (3.5 wt. %) content having smaller and highly dispersed nickel particles gives an excellent yield of sorbitol, 97 % in 1 h. The Ni-HAP-4 catalyst works well with other polar protic solvents. Different characterization techniques like XRD, TEM, SEM-EDS, BET, NH3-TPD, and CO2-TPD were employed to analyze the Ni-HAP-4 catalyst. A facile hydrogenation of glucose to sorbitol has been reported with Ni-HAP catalyst using water as a solvent. The excellent yield of sorbitol, 97 % in 1 h is possible due to the high surface area and high acid-base strength of the Ni-HAP-4 catalyst. image

10aglucose10aHydrogenation10aHydroxyapatite (HAP)10aNickel10aSorbitol1 aKamble, Paresh, A.1 aVinod, Chathakudath, P.1 aRathod, Virendra, K.1 aKantam, Mannepalli, Lakshmi uhttps://library.ncl.res.in/content/hydrogenation-glucose-sorbitol-using-nickel-hydroxyapatite-catalyst02066nas a2200241 4500008004100000022001400041245010000055210006900155260000900224300001200233490000700245520125000252653001401502653002101516653001901537653003301556100001901589700001901608700002901627700002601656700001801682856012401700 2024 eng d a0360-319900aHyStor: an experimental database of hydrogen storage properties for various metal alloy classes0 aHyStor an experimental database of hydrogen storage properties f cNOV  a460-4690 v903 a

In this work, we introduce the HyStor database, consisting of 1282 metal alloys along with their maximum hydrogen storage capacity (H2wt%) at a given absorption temperature. The curated HydPark database consist of 831 entries. We sourced compositions from research articles and various patent documents, resulting in addition of 451 compositions to the HydPark database. The addition is reflected in the data across all existing classes of alloys. Further, low entropy alloys (LEA), medium entropy alloys (MEA) and high entropy alloys (HEA) have been newly included classes. This has broadened the scope of the database to encompass the latest materials of interest for hydrogen storage. HyStor contains representation of 54 elements, with a temperature range of 200-800 K, and H2wt% ranging from 0.1 to 7.19. We conducted thorough checks for duplicate entries, erroneous data, and conflicting compositions within the database to ensure data quality. Furthermore, we conducted multiple tests to identify potential outlier compositions. The data curation and updation reflects into slight improved error metrics of the HYST model, reducing the Mean Absolute Error (MAE) from 0.31 to 0.29 and increasing the R2 score from 0.77 to 0.79.

10aDatabases10amachine learning10aMetal hydrides10aSolid-state hydrogen storage1 aWilson, Nikhil1 aVerma, Ashwini1 aMaharana, Piyush, Ranjan1 aSahoo, Ameeya, Bhusan1 aJoshi, Kavita uhttps://library.ncl.res.in/content/hystor-experimental-database-hydrogen-storage-properties-various-metal-alloy-classes02760nas a2200241 4500008004100000022001400041245016600055210006900221260000900290300001600299490000700315520185600322653005402178653002002232653003502252653000802287653001902295653000802314100001602322700002502338700002702363856012802390 2025 eng d a2155-543500aHarnessing AEM electrolyzer-level performance through strategically designing the electronic structure of electrocatalysts, enabling dynamic functional switching0 aHarnessing AEM electrolyzerlevel performance through strategical cDEC  a19968-199830 v153 a

The anion exchange membrane water electrolyzer (AEMWE) is a promising technology for cost-effective hydrogen production. To promote its development and adoption, targeted efforts are focused on finding non-platinum group metal (non-PGM) electrocatalysts that efficiently facilitate the hydrogen evolution reaction (HER) and the oxygen evolution reaction (OER). Nickel sulfides (NiS) are effective OER catalysts; however, they suffer due to leaching-related instability at electrolyzer stack operational conditions. We introduce a rational non-PGM design that enhances stability during the OER while excelling at the HER, showcasing molecular-level insights for a scalable AEMWE zero-gap stack device. NiS coating is applied to the Al-metal-organic framework supported by 3D porous nickel foam (NSMA), leading to charge localization at the interface, which helps in OER by requiring only 322 millivolts at 100 mA cm-2. The main innovation in the NSMA design is a controlled electroreduction process that converts the Millerite phase into Ni3S2, a catalyst (rNSMA). This transformation leads to charge delocalization at the surface and a low overpotential of -80 mV at -100 mA cm-2 for the HER. In a full cell, this catalyst duo requires an overpotential of 1.49 V, outperforming the commercial Pt/Ru catalyst pair at 1.58 V. In a scaled-up 12.96 cm2 AEM electrolyzer single-cell stack, current density rose from 398 to 1062 mA/cm2, maintained for over 100 h at high temperatures, achieving 99% Faradaic efficiency and 100% hydrogen purity. The AEM electrolyzer cell shows a good energy efficiency of 45.50 kWh/kg and a cell efficiency of 86.59%. Detailed studies, including DFT analyses, revealed that electronic structure modification enhances charge delocalization, driving its impressive performance on an industrially significant scale.

10aanion exchangemembrane water electrolyzer (AEMWE)10acharge transfer10adensity functional theory(DFT)10aHER10anickel sulfide10aOER1 aKumar, Sonu1 aVerma, Tushar, Singh1 aSelvaraj, Kaliaperumal uhttps://library.ncl.res.in/content/harnessing-aem-electrolyzer-level-performance-through-strategically-designing-electronic01547nas a2200241 4500008004100000022001400041245009300055210006900148260000800217300001400225490000700239520076400246653000601010653003201016653001601048653003001064653001801094100002101112700002001133700001601153700001901169856011701188 2025 eng d a0366-635200aHarnessing DABCO ionic salts for synthesis of heterocycles via multi-component reactions0 aHarnessing DABCO ionic salts for synthesis of heterocycles via m cSEP a5625-56600 v793 a

The review article discusses the advancements in synthesis and applications of acidic, basic, and neutral 1,4-diazabicyclo[2.2.2]octane (DABCO) ionic salts in multi-component reactions. Compared to imidazolium-based ionic salts, the number of DABCO-based ionic salts is significantly lower. Recently, there has been increasing focus on these salts due to their selective salt formation capabilities. A significant challenge lies in the limited availability of physical data regarding DABCO-based ionic salts; hence, most of them are not ionic liquids. While many of these salts could be reused several times with only a minimal reduction in their catalytic effectiveness, there is a significant limitation in the availability of DABCO-based salts.

10a110a4-Diazabicyclo[2.2.2]octane10aIonic salts10aMulti-component reactions10aRecyclability1 aRajmane, Archana1 aNarande, Poonam1 aPatil, Nita1 aKumbhar, Arjun uhttps://library.ncl.res.in/content/harnessing-dabco-ionic-salts-synthesis-heterocycles-multi-component-reactions02558nas a2200253 4500008004100000022001400041245009000055210006900145260000800214300001200222490000700234520173800241653001901979653001301998653001802011653002302029653001602052653002602068100001602094700002502110700002702135700002402162856011802186 2025 eng d a0971-781100aHarnessing microRNAs and their targets for salt stress tolerance in Pandanus odorifer0 aHarnessing microRNAs and their targets for salt stress tolerance cSEP a714-7300 v343 a

Salinity poses a formidable challenge to agriculture, detrimentally impacting plant growth and the yield of several crops globally. Pandanus odorifer (Forssk.) Kuntze is a highly salt-stress resilient plant that grows naturally along the coastal regions of Asia, Southeast Asia, and Polynesia. It is frequently found as a frontier species along the sandy shores receiving constant salt sprays. MicroRNAs (miRNAs) play essential regulatory roles in growth, development, and combating various biotic and abiotic stresses. Thus, characterizing miRNAs and their targets is critical to understanding their roles in salt stress tolerance. Through a rigorous analysis based on homology, secondary structure and signatures of other miRNA genes, we identified 52 conserved nonredundant miRNAs from the P. odorifer transcriptome data. These miRNAs were diverse and belonged to 23 miRNA phylogenetic families. Several miRNAs, including pod-MIR156a, pod-MIR164d, and pod-MIR535d, demonstrated distinct expression patterns in response to salt stress. Their target genes exhibited opposing expression trends, corroborating the intricate miRNA-target relationship. Delving deeper into their influence, we discovered that these miRNAs mainly targeted transcription factors that are known for their pivotal roles in stress responses. We also detected four miRNA-star (miRNA*) sequences (the complementary strands of functional mature miRNAs), which supports the authenticity of the identified miRNAs. This study unveils the intricate regulatory mechanism through which miRNAs may reinforce salt stress tolerance in P. odorifer, providing a promising avenue for enhancing crop resilience to various stresses through miRNA-based strategies.

10aAbiotic stress10amicroRNA10amiRNA targets10aSalinity tolerance10asalt stress10aTranscription factors1 aRashmi, Deo1 aBarvkar, Vitthal, T.1 aNadaf, Altafhusain, B.1 aKadoo, Narendra, Y. uhttps://library.ncl.res.in/content/harnessing-micrornas-and-their-targets-salt-stress-tolerance-pandanus-odorifer02395nas a2200289 4500008004100000245015800041210006900199260000800268490000700276520133300283653002501616653003201641653002701673653001701700653002401717100003801741700003401779700001601813700002201829700001801851700001901869700002001888700001801908700003001926700001901956856013001975 2025 eng d00aHeteroatom-synergistic effect on anchoring polysulfides in chalcone-linked nanographene covalent organic frameworks for high-performance Li―S batteries0 aHeteroatomsynergistic effect on anchoring polysulfides in chalco cAPR0 v123 a

Lithium-sulfur (Li & horbar;S) batteries are an attractive option for future energy storage devices because they offer higher theoretical specific capacity, energy density, and cost-effectiveness than commercial lithium-ion batteries. However, the practical applications of Li & horbar;S batteries are significantly limited by the shuttle effect caused by intermediate lithium polysulfides (LiPSs) and slow redox kinetics. In this study, the molecular engineering of chalcone-linked, sp(2)-bonded nanographene-type covalent organic frameworks (COFs) as sulfur hosts is reported to enhance interactions with LiPSs, thereby effectively suppressing the shuttle effect. The developed sulfur-hosting cathode material demonstrated outstanding battery performance, surpassing most reported materials by achieving a specific capacity of 1228 mA h g(-1) at 0.5C, with 80% retention after 500 cycles and an average Coulombic Efficiency (C.E.) of 99%. Additionally, the mechanisms of sulfur immobilization, the subsequent conversion into lithium polysulfides (LiPSs), and their binding energies with COFs are investigated using density functional theory (DFT) calculations. These findings offer valuable insights into the structure-property relationships essential for developing more efficient sulfur-hosting cathodes.

10aanion-pi interaction10acovalent organic frameworks10alithium-sulfur battery10ananographene10apolysulfide shuttle1 aRanjeesh, Kayaramkodath, Chandran1 aJavaregowda, Bharathkumar, H.1 aGaber, Safa1 aBhauriyal, Preeti1 aKumar, Sushil1 aSkorjanc, Tina1 aFinsgar, Matjaz1 aHeine, Thomas1 aKrishnamoorthy, Kothandam1 aShetty, Dinesh uhttps://library.ncl.res.in/content/heteroatom-synergistic-effect-anchoring-polysulfides-chalcone-linked-nanographene-covalent34843nas a2200181 45000080041000002450146000412100071001872600008002583000012002664900007002785203413300285100002234418700002134440700002334461700001734484700002534501856013534526 2025 eng d00aHeterolytic cleavage of the B–H bond in H3B·L (L = THF, NMe2H) by an electrophilic Ir(iii) pincer complex [Ir(H)(PMe3)(tBu4POCOP)][BAr F4]0 aHeterolytic cleavage of the B–H bond in H3B L L THF NMe2H by an  cNOV a476-4910 v553 a
Six- and five-coordinate iridium complexes, [Ir(H)Cl(PMe3)(tBu4POCOP)] (2) (tBu4POCOP = κ3-C6H3-2,6-(OPtBu2)2) and [Ir(H)(PMe3)(tBu4POCOP)][BArF4] (3), respectively, have been synthesized and characterized. The reactivity of the electrophilic 16-electron iridium(III) complex 3 with H2, H3B·THF, H3B·NMe2H, and H3B·NMe3 was investigated. The reaction of complex 3 with H2 resulted in the formation of trans-[Ir(H)(η2-H2)(PMe3)(tBu4POCOP)][BArF4] complex 5. Complex 3 was found to activate the B–H bonds in H3B·THF and H3B·NMe2H (DMAB) in a heterolytic fashion. The reaction of complex 3 with H3B·THF at 298 K afforded trans-[Ir(H)2PMe3(tBu4POCOP)] complex 6 and a boronium compound, [H2B(THF)2][BArF4]. Monitoring the reaction from 179 to 298 K by NMR spectroscopy revealed the formation of a σ-borane intermediate, trans-[Ir(H)(η1-HBH2·THF)PMe3(tBu4POCOP)][BArF4] (3a-Int), en route to the final products observed at 298 K. The formation of this intermediate species was also investigated by density functional theory (DFT) calculations. The reaction of complex 3 with H3B·NMe2H at 298 K yielded a mixture of complexes 3 and 5 and a cyclic diborazane [H2BNMe2]2. The reaction was found to proceed via intermediates, a σ-borane complex, trans-[Ir(H)(η1-HBH2·NMe2H)PMe3(tBu4POCOP)][BArF4] (3b), complex 6, [(NHMe2)2BH2][BArF4], and H2B[double bond, length as m-dash]NMe2. Complex 3 exhibited no reactivity with H3B·NMe3.

 

1 aPradhan, Mitarani1 aSurati, Zeel, Y.1 aPal, Apurba, Kumar1 aVanka, Kumar1 aJagirdar, Balaji, R. uhttps://library.ncl.res.in/content/heterolytic-cleavage-b%E2%80%93h-bond-h3b%C2%B7l-l-thf-nme2h-electrophilic-iriii-pincer-complex02280nas a2200181 4500008004100000022001400041245010500055210006900160260000900229300001400238490000700252520162300259100002501882700001801907700002001925700002101945856013201966 2025 eng d a0887-062400aHeteropolyacid-assisted efficient one-pot synthesis of ethyl levulinate from biorenewable feedstocks0 aHeteropolyacidassisted efficient onepot synthesis of ethyl levul cJAN  a3131-31390 v393 a

Amid rising environmental concerns over fossil fuel dependence, biomass-derived alkyl levulinates, particularly ethyl levulinate (EL), have gained prominence due to their versatility in applications ranging from biofuels to lubricants and green solvents. This study presents an efficient, one-pot catalytic conversion of various carbohydrates (glucose, fructose, and sucrose) into EL using a tailored Keggin-type heteropolyacid catalyst with a vanadium-to-tungsten atom ratio of 1:11. Vanadium substitution imparts higher acidity and redox properties to the catalyst, which is reflected in the catalytic performance. The catalyst demonstrated outstanding performance, achieving high EL yields of 98 +/- 1% from sucrose, 93 +/- 2% from fructose, and 82 +/- 2% from glucose under batch processing conditions (180 degrees C, absolute ethanol solvent, 27 wt % catalyst, 2 h). The high yield of EL may be assigned to the presence of both Br & oslash;nsted and Lewis acid sites, which promotes key reactions like isomerization and ethanolysis. Moreover, a significant EL yield of 85 +/- 2% was obtained from cellulose feedstock, which showcases the efficiency of this catalyst. The use of absolute ethanol as solvent enhanced esterification prospects, preventing hydrolysis and promoting higher EL yields, while the presence of water as cosolvent favored the formation of levulinic acid. These findings demonstrate the potential of vanadium-substituted heteropolyacid catalysts for efficient biomass valorization, offering a sustainable pathway for the large-scale production of EL from renewable feedstocks.

1 aJagannivasan, Gopika1 aHaridas, Suja1 aMarimuthu, Banu1 aMukundan, Swathi uhttps://library.ncl.res.in/content/heteropolyacid-assisted-efficient-one-pot-synthesis-ethyl-levulinate-biorenewable-feedstocks02816nas a2200265 4500008004100000022001400041245008900055210006900144260000800213300001100221490000700232520198500239653002002224653001202244653002002256653001502276653002402291653001302315653001802328100002302346700002502369700002002394700002402414856011202438 2025 eng d a1744-117X00aHigh levels of sinigrin trigger synthesis of fatty acids in Plutella xylostella (L.)0 aHigh levels of sinigrin trigger synthesis of fatty acids in Plut cJUN a1014240 v543 a

Diamondback moth (Lepidoptera: Plutellidae; Plutella xylostella L.) is a specialist insect of the Brassicaceae family, damaging economically important crops, such as cabbage and cauliflower. Glucosinolates, also known as `mustard oil bombs' are present in all Brassicaceae members, of which sinigrin (allyl-glucosinolate or 2-propenylglucosinolate) is a major aliphatic compound. During herbivory, glucosinolates are converted to toxic isothiocyanates that deter insect pests. P. xylostella possesses glucosinolate sulfatases that desulfate them. Such a conversion renders them unfit for degradation to toxic products. Changes in the larval performance prompted us for RNA sequencing to understand probable adaptation mechanism under sinigrin stress. Differentially expressed genes were found to be related to larval cuticle proteins. Further, gene ontology and KEGG (Kyoto Encyclopedia of Genes and Genomes) analyses depict genes belonging to the categories, integral component of membrane, cellular processes and those involved in biosynthesis of fatty acids. Upregulation of cuticular genes viz. larval cuticle protein-17 (LCP-17), cuticular protein-19 (2CP-19) and ATP binding cassette transporter C7 (ABCC7), ABCC16 was validated by qRT-PCR. Liquid chromatography quadrupole time of flight mass spectrometry analysis of whole larvae feeding on sinigrin and their separated cuticle, depicted abundance of fatty acids. Changes in the topography of the larval cuticle were evident by scanning electron microscopy. Expression of PxABCH1 was corroborated to its role in the transport of cuticular lipids. Notably, molecular docking of PxABCH1 with cuticular fatty acids showed favorable binding interactions. To summarize, integrated transcriptomic and metabolomic analyses suggest that in response to a diet containing a high dose of sinigrin, P. xylostella re-programs metabolic pathways related to fatty acid biosynthesis that directly influence insect development.

10aABC transporter10aCuticle10aHost metabolite10aMetabolome10aPlutella xylostella10aSinigrin10aTranscriptome1 aBarve, Pranoti, R.1 aBarvkar, Vitthal, T.1 aGiri, Ashok, P.1 aKotkar, Hemlata, M. uhttps://library.ncl.res.in/content/high-levels-sinigrin-trigger-synthesis-fatty-acids-plutella-xylostella-l02161nas a2200313 4500008004100000022001400041245011100055210006900166260000900235300001400244490000600258520113400264653001201398653002301410653001901433653001401452653001901466100002701485700002501512700002501537700002401562700002501586700002701611700002201638700002101660700003001681700001501711856012101726 2025 eng d a2574-096200aHigh performance and enhanced stability of Mn-Co3V2O8 coral-like structure for supercapacitor applications0 aHigh performance and enhanced stability of MnCo3V2O8 corallike s cJUN  a9419-94290 v83 a

This study explores Mn-doped Co3V2O8 as a promising electrode material for high-performance supercapacitors. Mn doping significantly enhances the electrochemical properties of Co3V2O8, resulting in improved specific capacitance and cycling stability. Structural characterization reveals a coral-like morphology that increases the active sites and facilitates efficient charge transport and ion diffusion. Electrochemical tests show an impressive specific capacitance of 2352 F g(-1) in 2 M KOH at 1 A g(-1). For the assembled MCV5//AC asymmetric supercapacitor device, it has a high capacitance retention of 87.6% and a high Coulombic efficiency of 96% over 5000 cycles. The developed asymmetric MCV5/AC supercapacitor device achieved an energy density of 45 Wh kg(-1) and a power density of 750 W kg(-1). These findings establish Mn-doped Co3V2O8 as a durable and efficient electrode material, offering valuable insights into the relationship between the morphology and electrochemical performance. This work provides a foundation for the development of advanced materials for sustainable energy storage applications

10aCo3V2O810aElectrode material10aEnergy storage10astability10asupercapacitor1 aVenkatesan, Sethuraman1 aRajkumar, Palanisamy1 aRadhika, Govindaraju1 aIyer, Maalavika, S.1 aManigandan, Ramadoss1 aRajaiah, Dhilip, Kumar1 aRadhakrishnan, S.1 aRaman, Sasikumar1 aMarimuthu, Senthilkumaran1 aKim, Jinho uhttps://library.ncl.res.in/content/high-performance-and-enhanced-stability-mn-co3v2o8-coral-structure-supercapacitor02495nas a2200241 4500008004100000022001400041245012000055210006900175260000800244300001100252490000800263520161100271653004701882653003301929653003201962653003001994653001202024100001902036700002002055700001902075700002702094856013202121 2025 eng d a0013-468600aHighly active and durable MNS bifunctional electrocatalysts for enhanced anion exchange membrane water electrolysis0 aHighly active and durable MNS bifunctional electrocatalysts for  cDEC a1474080 v5423 a

The development of non-platinum group metal (non-PGM) electrocatalysts with performance comparable to their noble metal counterparts remains a significant challenge for overall water splitting. In this study, we demonstrate the performance of an Anion Exchange Membrane (AEM) water electrolyzer using a bifunctional, non-PGM electrocatalyst: reduced graphene oxide (rGO)-encapsulated MoS2/Ni3S2 (MNS) grown on a nickel foam (NF) substrate. The rGO/MoS2/Ni3S2 (rGO-MNS) electrode was synthesized via a facile, single-step hydrothermal method. For the hydrogen evolution reaction (HER), the rGO-MNS electrode exhibited a low overpotential of 94 mV at a current density of 100 mA cm-2, maintaining excellent stability over 50 h with a minimal degradation rate of 120 mu V h-1. In the case of the oxygen evolution reaction (OER), an overpotential of 410 mV was required to reach the same current density, with a similarly robust durability and a degradation rate of only 360 mu V h-1. When employed as symmetric electrodes for overall water electrolysis, the rGO-MNS system achieved a current density of 10 mA cm-2 at a cell voltage of 1.51 V, outperforming the benchmark Pt/C & Vert;Ru/C catalyst pair, which required 1.58 V to reach the same performance. The enhanced electrocatalytic activity and durability are attributed to the conductive rGO encapsulation, which facilitates charge transfer and mitigates surface oxidation of the catalyst. These results present a promising strategy for designing cost-effective, durable, and highperformance non-PGM electrodes for AEM water electrolysis.

10aAnion Exchange Membrane Water Electrolysis10aBifunctional Electrocatalyst10ahydrogen evolution reaction10aOxygen Evolution Reaction10arGO-MNS1 aSingh, Kailash1 aYadav, Himanshu1 aSamdani, Kunda1 aSelvaraj, Kaliaperumal uhttps://library.ncl.res.in/content/highly-active-and-durable-mns-bifunctional-electrocatalysts-enhanced-anion-exchange-membrane02254nas a2200181 4500008004100000022001400041245016600055210006900221260001000290300001600300490000700316520152600323100002401849700003201873700002501905700001901930856012301949 2025 eng d a0888-588500aHighly efficient, co-solvent assisted glycolytic depolymerization of waste polyethylene terephthalate (PET) into Bis(2-hydroxyethyl) terephthalate (BHET) monomer0 aHighly efficient cosolvent assisted glycolytic depolymerization  cAUG 2 a16428-164410 v643 a

Recently, growing use of plastics has led to the accumulation of waste that must be dealt with paramount priority. Among all plastic wastes, polyethylene terephthalate (PET) is the most widely used thermoplastic polyester globally because of its extensive applications in packaging, automotive manufacturing, and textile markets. Thus, there is a need to develop a sustainable and viable PET recycling process. This study presents an efficient solvothermal process for the depolymerization of PET into bis(2-hydroxyethyl) terephthalate (BHET) using co-solvent assisted glycolysis. The process uses N-methylimidazole (NMI) as a cosolvent with ethylene glycol (EG), achieving complete PET conversion and 92% BHET yield under optimized reaction conditions (180 degrees C, 45 min, PET:EG:NMI ratio of 1:7:8) without using a catalyst. The effectiveness of the cosolvent system was attributed to its polarity and H-bonding capabilities, which enhanced polymer swelling and facilitated the depolymerization. SEM analysis revealed pore formation in the NMI-treated PET, whereas FTIR studies confirmed the progressive formation of ester groups during depolymerization of PET. Kinetics studies based on different models indicated that, at higher temperatures, the surface reaction and homogeneous model proved to be rate-controlling due to the elimination of mass transfer limitations. A preliminary technoeconomic analysis and recyclability experiments further supported the scalability potential of the present study.

1 aMarkandeya, Nishant1 aSolanki, Bhanupratap, Singh1 aRamalingam, Karthick1 aKamble, Sanjay uhttps://library.ncl.res.in/content/highly-efficient-co-solvent-assisted-glycolytic-depolymerization-waste-polyethylene02859nas a2200241 4500008004100000022001400041245013900055210006900194260000800263300001600271490000700287520198900294100002102283700001902304700001902323700001902342700001802361700002802379700003102407700002002438700003002458856012902488 2025 eng d a2050-748800aHighly moisture-stable ferroelectric ammonium phosphate salt showing piezoelectric energy harvesting and rotation sensing applications0 aHighly moisturestable ferroelectric ammonium phosphate salt show cJUL a22574-225820 v133 a

Ferroelectric phosphate-based materials are known for their biocompatibility, dipole switching, and high thermal stability. In this context, we report a novel organic ferroelectric material, diisopropylammonium bis(4-nitrophenyl) phosphate (DIPABNPP), crystallizing in the monoclinic C2 space group. DIPABNPP exhibits a high second harmonic generation (SHG) efficiency 2.5 times higher than that of potassium dihydrogen phosphate (KDP). The ferroelectric nature of DIPABNPP was confirmed by the observation of a rectangular P-E hysteresis loop, which gave a saturated polarization value of 6.82 mu C cm-2. The ferroelectric polar domains of DIPABNPP, along with the bias-dependent amplitude butterfly and phase hysteresis loops, were visualized by piezoresponse force microscopy (PFM). Furthermore, the polydimethyl siloxane (PDMS) composites of DIPABNPP enabled the fabrication of humidity-resistant piezoelectric nanogenerators (PENGs) with energy harvesting and mechanical-electrical sensing capabilities. The top-performing 10 wt% DIPABNPP-PDMS device achieved a peak output voltage of 9.5 V and a charge storage efficiency of 81.8%, successfully powering 53 LEDs. Additionally, its rapid response time of 18.5 ms enables precise rotation sensing capabilities, suggesting potential applications in motion monitoring, such as revolution per minute (RPM) counting. We also present a unique and refined method for obtaining the output work efficiency (OWE) parameter, which quantifies the ratio of harvested electrical energy to the maximum elastic energy stored in the composite device, taking into consideration several key parameters during the PENG measurements. For the 10 wt% DIPABNPP-PDMS composite, an OWE of 13.1% was achieved, highlighting both its current performance and potential for optimization. This metric provides a standardized approach for evaluating PENGs, addressing a critical gap in assessing mechanical-to-electrical energy conversion efficiency.

1 aKushwaha, Vikash1 aPrajesh, Neetu1 aGopal, Animesh1 aSahoo, Supriya1 aDeswal, Swati1 aKirana, Antonysylvester1 aShanmuganathan, Kadhiravan1 aZareba, Jan, K.1 aBoomishankar, Ramamoorthy uhttps://library.ncl.res.in/content/highly-moisture-stable-ferroelectric-ammonium-phosphate-salt-showing-piezoelectric-energy02400nas a2200265 4500008004100000022001400041245012200055210006900177260000800246300001400254490000700268520148900275653001701764653003801781653002001819653001401839653003901853653001501892653001801907100002201925700001901947700002101966700002301987856012402010 2025 eng d a1944-824400aHighly permselective contorted polyamide desalination membranes with enhanced free volume fabricated by mLbL assembly0 aHighly permselective contorted polyamide desalination membranes  cJAN a9716-97270 v173 a

The permeability-selectivity trade-off in polymeric desalination membranes limits the efficiency and increases the costs of reverse osmosis and nanofiltration systems. Ultrathin contorted polyamide films with enhanced free volume demonstrate an impressive 8-fold increase in water permeance while maintaining equivalent salt rejection compared to conventional polyamide membranes made with m-phenylenediamine and trimesoyl chloride monomers. The solution-based molecular layer-by-layer (mLbL) deposition technique employed for membrane fabrication sequentially reacts a shape-persistent contorted diamine monomer with a trimesoyl chloride monomer, forming highly cross-linked, dense polyamide networks while avoiding the kinetic and mass transfer limitations of traditional interfacial polymerization. The mLbL process allows precise nanoscale control over polyamide selective layer thickness, network structure, and surface roughness. The resulting controlled film thicknesses enable direct measurements of water and NaCl permeabilities. The permselectivities of contorted polyamide membranes surpass those of commercial desalination membranes and approach the reported polyamide upper bound. Solution-diffusion transport modeling indicates that this high permselectivity may be attributed to enhanced water transport pathways in the contorted polyamides that increase water diffusivity-permeability while maintaining high solute rejection through solubility-selectivity.

10aDesalination10amolecular layer-by-layer assembly10apermselectivity10apolyamide10apolymers of intrinsicmicroporosity10atriptycene10aTroger's base1 aShaligram, Sayali1 aShevate, Rahul1 aPaul, Siddhartha1 aShaffer, Devin, L. uhttps://library.ncl.res.in/content/highly-permselective-contorted-polyamide-desalination-membranes-enhanced-free-volume01697nas a2200193 4500008004100000022001400041245014800055210006900203260000800272300001500280490000700295520097600302100002101278700001501299700001801314700001901332700002301351856012901374 2025 eng d a2196-021600aHigh-performance polysulfide-trapping lithium sulfur battery cathode: cubic Co3O4 catalyst within a nitrogen-doped entangled graphene framework0 aHighperformance polysulfidetrapping lithium sulfur battery catho cFEB ae2024004880 v123 a

The cycling performance of lithium-sulfur (Li-S) batteries is hampered by polysulfide dissolution which impacts the overall performance of Li-S batteries. Here we report the synthesis and characterization of polysulfide trapping cathode material for Li-S batteries based on Co3O4 nanocubes supported within a nitrogen-doped entangled graphene (Co3O4/NEGF). The highly porous conductive graphene network is shown to facilitate fast electron transport and ion diffusion while the nitrogen dopants and polar Co3O4 offer both abundant active sites for polysulfide conversion while promoting intermediate polysulfide binding. The porous structure allows for high sulfur loading of 76.4 wt % (S@Co3O4/NEGF), while efficiently accommodating volumetric expansion during charge-discharge. The Co3O4/NEGF cathode composite exhibited a high specific capacity of 1143 mAh g-1 at a current density of C/20 and maintained a 79 % reversible capacity after 200 cycles at C/5.

1 aManna, Narugopal1 aSoni, Roby1 aYoung, R., S.1 aJervis, Rhodri1 aMiller, Thomas, S. uhttps://library.ncl.res.in/content/high-performance-polysulfide-trapping-lithium-sulfur-battery-cathode-cubic-co3o4-catalyst02589nas a2200325 4500008004100000022001400041245014000055210006900195260000800264490000700272520142200279653002001701653001901721653002801740653002801768653003001796653003901826653001601865653001801881653005001899100002201949700002401971700002701995700002402022700001802046700002602064700001802090700002402108856013102132 2025 eng d a1613-681000aHot injection assisted electronically modulated twin and grain boundary rich sub-2 nm pt3co alloy resistant to phosphate ion for PEMFCs0 aHot injection assisted electronically modulated twin and grain b cMAY0 v213 a

Modulation of the electronic d-band center, structural defects (line defects), and particle size of Pt3Co alloy electrocatalyst have huge significance in elevating its electrochemical oxygen reduction reaction activity. Deviating from traditional high-temperature strategies, the current work focuses on ripening these benefits by implying a simple economically viable hot-injection-assisted modified polyol process. A conclusive control over decrementing particle size starting from 2.7 to 1.3 nm, an increasing degree of strain (twin boundary), and shifting of the d-band center away from the Fermi level are obtained via varying the temperature to which the solution is injected. The catalyst prepared via the injection at 200 degrees C (Pt3Co(1.3 t,g-b)/fVC-200) has delivered an electrochemical surface area of 84 m(2) g(Pt)(-1) with the onset and half-wave potentials of 0.980 and 0.858 V, respectively, versus RHE and a limiting current of -6.0 mA cm(-2) with stability till 20k cycles. In the high-temperature proton exchange membrane fuel cell Pt3Co(1.3 t,g-b)/fVC-200-based cell has outperformed Pt/C rendering 600 mWcm(-2) under H-2-Air compared to 529 mWcm(-2) of Pt/C with 20% lower Pt loading and double the stability due to enhanced resistance toward phosphoric acid for accelerated voltage cycling. A similar enhancement is seen while employing the catalyst for low-temperature fuel cells.

10aelectrocatalyst10agrain boundary10ahot injection synthesis10amodified polyol process10aoxygen reduction reaction10aproton exchange membrane fuel cell10aPt3Co alloy10atwin boundary10avalance band X-ray photoelectron spectroscopy1 aSingh, Mayank, U.1 aJadhav, Swapnil, D.1 aShivankar, Bhavana, R.1 aPandikassala, Ajmal1 aKumar, Yogesh1 aKrishnamurty, Sailaja1 aVinod, C., P.1 aKurungot, Sreekumar uhttps://library.ncl.res.in/content/hot-injection-assisted-electronically-modulated-twin-and-grain-boundary-rich-sub-2-nm-pt3co02247nas a2200277 4500008004100000022001400041245012000055210006900175260000800244300001400252490000700266520131300273653002001586653002401606653002501630653001401655653001101669653001401680100002401694700002901718700002201747700002201769700002601791700002001817856013201837 2025 eng d a2155-543500aHybrid pincer (PNN)Ni(II) complex catalyzed selective C-H alkylation of pyridones using unactivated alkyl chlorides0 aHybrid pincer PNNNiII complex catalyzed selective CH alkylation  cFEB a2987-29990 v153 a

The use of readily accessible unactivated alkyl chlorides in the alkylation reaction to install valuable alkyl and methyl motifs into privileged heterocycles is an underdeveloped area. Herein, we report the regioselective C-H alkylation of diverse pyridones employing challenging unactivated alkyl chlorides as coupling partners, enabled by a strategically developed quinolinyl-based pincer (Ph2PNNQ)Ni(II) complex. The air-stable nickel catalyst is highly effective for the selective alkylation of functionalized 2-pyridones with both primary and secondary alkyl chlorides as well as for the unexpected C6 methylation, furnishing a wide range of 6-alkyl-2-pyridone scaffolds (78 examples). Remarkably, the alkyls bearing biologically and pharmacologically significant motifs, such as pterostilbene, nonyl phenol, sesamol, estrone, vitamin E, stigmasterol, cholesterol, and diosgenin, were compatible under this catalytic approach. The insights into the mechanism suggest that the alkylation reaction follows a Ni(II)/Ni(III)/Ni(IV) pathway involving the crucial two-step, one-electron oxidative addition of alkyl chloride. Several control studies, kinetics, and EPR analyses were performed to understand the detailed reaction pathway, further supported by density functional theory calculations.

10aalkyl chlorides10aC-H/C-Cl activation10ahybrid pincer ligand10aMechanism10aNickel10apyridones1 aVerma, Suryadev, K.1 aSamal, Pragnya, Paramita1 aPradhan, Chandini1 aPandey, Dilip, K.1 aKrishnamurty, Sailaja1 aPunji, Benudhar uhttps://library.ncl.res.in/content/hybrid-pincer-pnnniii-complex-catalyzed-selective-c-h-alkylation-pyridones-using-unactivated02324nas a2200217 4500008004100000022001400041245011700055210006900172260000800241490000700249520155600256653001701812653001301829653002301842653001801865653002501883100002101908700002601929700002301955856012801978 2025 eng d a1867-388000aHydrodeoxygenation of guaiacol to cyclohexanol using noble metal-supported Ni-based perovskite-derived catalysts0 aHydrodeoxygenation of guaiacol to cyclohexanol using noble metal cAUG0 v173 a

This study focuses on the role of noble metal-doped Ni-based perovskites, specifically LaNiO3 and NiTiO3 catalysts in the hydrodeoxygenation (HDO) of guaiacol. The findings demonstrate that reduced Ru-LaNiO3 catalyst achieved superior performance with 100% guaiacol conversion and a 75% selectivity toward cyclohexanol, compared to reduced Ru-NiTiO3, which achieved only 43% conversion and 25% cyclohexanol selectivity under identical conditions (240 degrees C, 30 bar H2, and 4 h). High-resolution transmission electron microscopic (HR-TEM) analysis reveals that LaNiO3-supported catalysts exhibit better metal dispersion and smaller nickel nanoparticle sizes compared to NiTiO3-supported counterparts. X-ray photoelectron spectroscopy (XPS) analysis shows that the reduction of nickel and noble metals is more facile on LaNiO3. Additionally, the O 1s XPS profile for reduced Ru-LaNiO3 indicates a higher proportion of lattice oxygen (OLat similar to 79%) and a lower proportion of oxygen vacancies (OVac similar to 21%) compared to other catalyst systems. The optimized OLat/OVac ratio is shown to be critical for the effective HDO of guaiacol. In situ diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) demonstrates a high HDO reaction rate using reduced Ru-LaNiO3 than reduced Ru-NiTiO3, with cyclohexanol formation attributed to the keto-enol tautomerization pathway. Overall, this study underscores the critical roles of oxygen vacancies, metal dispersion, and metal-metal oxide interactions in the HDO of guaiacol.

10aCyclohexanol10aGuaiacol10aHydrodeoxygenation10aIn-situ DRIFT10aNi-based perovskites1 aMarimuthu, Prabu1 aRaja, Thirumalaiswamy1 aVinu, Ravikrishnan uhttps://library.ncl.res.in/content/hydrodeoxygenation-guaiacol-cyclohexanol-using-noble-metal-supported-ni-based-perovskite02891nas a2200313 4500008004100000022001400041245016200055210006900217260000800286300001400294490000700308520176200315653003302077653002402110653001402134653002502148653001302173653004502186653003402231100003002265700001802295700002002313700002502333700002002358700001802378700002602396700002402422856013102446 2025 eng d a1944-824400aHydrogel electrolyte-mediated in situ Zn-anode modification and the Ru-RuO2/NGr-coated cathode for high-performance solid-state rechargeable Zn-air batteries0 aHydrogel electrolytemediated in situ Znanode modification and th cJAN a3188-32040 v173 a

This work aims to deal with the challenges associated with designing complementary bifunctional electrocatalysts and a separator/membrane that enables rechargeable zinc-air batteries (RZABs) with nearly solid-state operability. This solid-state RZAB was accomplished by integrating a bifunctional electrocatalyst based on Ru-RuO2 interface nanoparticles supported on nitrogen-doped (N-doped) graphene (Ru-RuO2/NGr) and a dual-doped poly(acrylic acid) hydrogel (d-PAA) electrolyte soaked in KOH with sodium stannate additive. The catalyst shows enhanced activity and stability toward the two oxygen reactions, i.e., oxygen reduction and evolution reactions (ORR and OER), with a very low potential difference (Delta E) of 0.64 V. The computational insights bring out the electronic factors contributing to the enhanced catalytic activity of Ru-RuO2/NGr based on the charge density difference (CDD) between the interfaces. The disadvantages of the existing solid-state RZABs, such as their limited lifespan brought on by passivation, dendritic growth, corrosion, and shape change, have also been taken into account. The introduction of the stannate additive to the electrolyte induced an in situ Zn-anode modification, which subsequently improved the interfacial stability of the ZABs and, hence, the battery life cycles. The experimental observations reveal that, during the charging process, the Sn nanoparticles enable the homogeneous Zn deposition on the surface of the anode. Thus, the in situ Zn-anode surface modification assisted in achieving a high-rate cycle capability, viz., the homemade catalyst-based system exhibited continuous charge-discharge cycles for 20 h at a current density of 2.0 mA cm-2, with each cycle lasting for 5 min.

10aBifunctional Electrocatalyst10aCore-ShellStructure10aDFT study10aelectrolyte additive10aHydrogel10asolid-state rechargeable zinc-airbattery10aX-ray absorption spectroscopy1 aKharabe, Geeta, Pandurang1 aVerma, Tushar1 aBarik, Sidharth1 aUrkude, Rajashri, R.1 aAyasha, Nadeema1 aGhosh, Biplab1 aKrishnamurty, Sailaja1 aKurungot, Sreekumar uhttps://library.ncl.res.in/content/hydrogel-electrolyte-mediated-situ-zn-anode-modification-and-ru-ruo2ngr-coated-cathode-high01795nas a2200181 4500008004100000022001400041245010900055210006900164260000800233300001600241490000700257520114000264100001801404700001801422700002301440700002301463856012701486 2025 eng d a0887-062400aHydrogenation of CO2 catalyzed by thermally decomposed cobalt-containing alkaline earth metal carbonates0 aHydrogenation of CO2 catalyzed by thermally decomposed cobaltcon cJUN a12982-129910 v393 a

CO2 hydrogenation over Co catalysts supported on alkaline earth metal oxides was investigated. The catalysts were prepared by thermally decomposing alkaline metal carbonates CoMCO3, where M = Mg, Ca, Sr, and Ba, in H2. During the thermal activation, contingent upon the thermal stability of the precursor, it transformed into a composite of metal oxides, metals, and undecomposed metal carbonates. The thermal activation temperature, the ratio of CO2 to H2, the composition, and the basicity of the catalyst all played a significant role in influencing the conversion of CO2 and the selectivity to CH4. Among the various Co-containing alkaline earth metal carbonate precursors, CoCaCO3 activated at 400 degrees C yielded the highest steady-state CO2 conversion of 54% with a CH4 selectivity of 89.8% throughout 28 h in the reaction stream containing a 1:4 ratio of CO2 and H2. Detailed characterization showed that the CaCo-400 catalyst contained metallic Co, CaO, and undecomposed CaCO3 phases. The study assumes significance in understanding the role of the composition of catalysts in the formation of CO2 hydrogenation.

1 aGupta, Sharad1 aVinod, C., P.1 aPoupin, Christophe1 aJagadeesan, Dinesh uhttps://library.ncl.res.in/content/hydrogenation-co2-catalyzed-thermally-decomposed-cobalt-containing-alkaline-earth-metal01411nas a2200217 4500008004100000022001400041245009500055210006900150260000800219300001400227490000700241520068000248100002300928700002400951700002700975700001501002700001901017700001701036700001901053856012101072 2025 eng d a0276-733300aHypersilylsilylene-supported Ni(0) toluene and Ni(II) complexes with catalytic application0 aHypersilylsilylenesupported Ni0 toluene and NiII complexes with  cNOV a2646-26530 v443 a

The reaction of Ni(COD)2 with [PhC(NtBu)2SiSi(SiMe3)3] (1) in toluene results in the formation of an 18-electron silylene-Ni(0) toluene complex (2). The analogous reaction with 1,3-DFB instead of toluene affords the C-H activation followed by ring walking leading to the allylic cyclooctene adduct, the (eta 3-C8H13)Ni(II) complex (3). DFT calculations were carried out to elucidate the mechanism as well as to gain insight into why 1,3-DFB undergoes C-H bond activation instead of C-F bond activation. The use of NiCl2DME permits access to 16-electron (tetrylene)2NiCl2 (Si(4) and Ge(5)) species, and 4 was later used as a catalyst for the C-N coupling reaction.

1 aAjithkumar, V., S.1 aBisai, Milan, Kumar1 aGhanwat, Pratiksha, B.1 aRaj, Vipin1 aSingh, Geetika1 aVanka, Kumar1 aSen, Sakya, S. uhttps://library.ncl.res.in/content/hypersilylsilylene-supported-ni0-toluene-and-niii-complexes-catalytic-application01434nas a2200229 4500008004100000022001400041245011900055210006900174260000800243300001200251490000700263520064000270653002000910653001100930653002300941653001600964653001400980100002700994700002201021700002601043856013501069 2025 eng d a0936-521400aHypervalent-iodine-mediated base-free oxidative olefination of benzylic amines to access α,β-unsaturated ketones0 aHypervalentiodinemediated basefree oxidative olefination of benz cAUG a556-5600 v363 a

We report a one-pot base-free protocol for the oxidative olefination of benzylic amines promoted by a hypervalent iodine reagent for the synthesis of alpha,beta-unsaturated ketones. Mechanistically, (diacetoxyiodo)benzene oxidizes the benzylic amine to the corresponding imine, which, on reaction with a phenacyl(triphenyl)phosphonium bromide salt and an in situ generated acetoxy anion leads to an alpha,beta-unsaturated ketone. A wide range of alpha,beta-unsaturated ketones were easily accessed through direct oxidative olefination of substituted benzylic amines in good to excellent yields and with high E -selectivity.

10abenzylic amines10aenones10ahypervalent iodine10aolefination10aOxidation1 aRupanawar, Bapurao, D.1 aBansode, Ajay, H.1 aSuryavanshi, Gurunath uhttps://library.ncl.res.in/content/hypervalent-iodine-mediated-base-free-oxidative-olefination-benzylic-amines-access-%CE%B1%CE%B201408nas a2200253 4500008004100000022001400041245017100055210006900226260000800295300001100303490000700314520051300321653001800834653001900852653001000871653001200881653002300893653001400916100002500930700002300955700002500978700001901003856013201022 2026 eng d a2365-654900aH5IO6, as an efficient reagent for the aromatization of tetrahydro-β-carbolines: total synthesis of norharman, harmane, harmine, kumujian-C, and orthoscuticellines B0 aH5IO6 as an efficient reagent for the aromatization of tetrahydr cMAR ae042520 v113 a

A new method is reported for the synthesis of beta-carbolines and their derivatives using H5IO6 in DMSO solvent. The method is mild and efficient for oxidative decarboxylation and aromatization of tetrahydro beta-carbolines (TH beta C), resulting in good to excellent yields (70% to 88%) of beta-carbolines. This protocol has further been utilized for the synthesis of beta-carbolines based natural products, for examples, norharmane, harmane, harmine, Kumujian-C, and Orthoscuticellines A and B.

10aaromatization10abeta-carboline10aH5IO610aHarmine10aorthoscuticellines10aOxidative1 aSabane, Jagjivan, K.1 aGaikwad, Sunil, V.1 aGajbhiye, Jayant, M.1 aKumar, Pradeep uhttps://library.ncl.res.in/content/h5io6-efficient-reagent-aromatization-tetrahydro-%CE%B2-carbolines-total-synthesis-norharman02205nas a2200253 4500008004100000022001400041245009700055210006900152260000800221490000800229520133700237653002901574653003401603653000901637653001401646653002101660100002801681700002701709700001701736700002201753700002401775700002501799856012701824 2026 eng d a0021-899500aHigh-performance sultone-modified PVA/PAMPS semi-IPN hydrogels for proton exchange membranes0 aHighperformance sultonemodified PVAPAMPS semiIPN hydrogels for p cAPR0 v1433 a

Hydrogel membranes composed of poly(2-acrylamido-2-methyl-1-propanesulfonic acid) (PAMPS) and sultone-modified poly(vinyl alcohol) (PVA) were successfully synthesized and evaluated as promising proton-conducting materials. A key advantage involves the premodification of PVA with 1,3-propane sultone to introduce sulfonic acid groups, thereby imparting proton conductivity to the PVA backbone. This sultone-modified PVA was then physically entangled within a PAMPS cross-linked network to form novel semi-interpenetrating network (semi-IPN) hydrogels. This synergistic design leverages the excellent film-forming and mechanical properties of PVA with the high proton conductivity inherent to PAMPS. The synthesized membranes exhibited robust mechanical properties, with tensile strengths ranging from 5 to 30 MPa and percentage elongations between 200% and 400%, depending on their humidity content. These hydrogel membranes demonstrated proton conductivities ranging from 0.6 to 4.3 x 10-2 S cm-1. The activation energy for proton conduction was found to be as low as 3.5 kJ mol-1, significantly lower than that of the commercial benchmark membrane, Nafion 117 (12 kJ mol-1). These findings underscore the potential of these novel PAMPS/sultone-modified PVA semi-IPN hydrogel membranes for advanced fuel cell applications.

10abatteries and fuel cells10afunctionalization of polymers10aGels10amembranes10apolyelectrolytes1 aPatwadkar, Manjusha, V.1 aIllathvalappil, Rajith1 aTorris, Arun1 aFrancis, Sifa, C.1 aKurungot, Sreekumar1 aBadiger, Manohar, V. uhttps://library.ncl.res.in/content/high-performance-sultone-modified-pvapamps-semi-ipn-hydrogels-proton-exchange-membranes